data_2lq4_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 2lq4 _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 ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.305 0 CA-C-O 121.133 0.492 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 tt -95.63 -61.15 1.51 Allowed 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.03 -1.441 . . . . 0.0 109.555 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -31.14 66.77 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 113.455 -1.702 . . . . 0.0 112.489 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -92.4 -12.35 32.45 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 124.224 0.953 . . . . 0.0 110.342 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.88 -21.77 22.36 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 175.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tt -90.41 -35.72 15.0 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 111.376 -2.647 . . . . 0.0 106.926 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.5 -20.33 51.04 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 113.337 -1.756 . . . . 0.0 107.814 176.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.38 -29.14 19.3 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 176.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -81.03 -20.15 42.3 Favored 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 125.522 1.764 . . . . 0.0 106.997 176.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.89 -34.72 26.62 Favored 'General case' 0 N--CA 1.421 -1.888 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 175.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -79.16 -19.27 51.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 111.724 -2.489 . . . . 0.0 108.764 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.65 -19.04 24.09 Favored 'General case' 0 CA--C 1.495 -1.144 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.08 -32.38 22.86 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 111.177 -2.738 . . . . 0.0 106.984 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -82.69 -26.23 32.24 Favored 'General case' 0 CA--C 1.49 -1.36 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.36 -16.25 40.51 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 111.773 -2.467 . . . . 0.0 107.003 174.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.06 -26.77 21.22 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.42 -30.14 22.32 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 113.579 -1.646 . . . . 0.0 106.618 176.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.2 -18.66 38.51 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 112.573 -2.103 . . . . 0.0 108.856 175.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.48 -31.14 20.14 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 104.402 -2.444 . . . . 0.0 104.402 175.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tt -73.79 -42.41 61.03 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 112.563 -2.108 . . . . 0.0 106.149 174.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.12 -13.2 60.79 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 113.409 -1.723 . . . . 0.0 110.484 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.87 -27.07 44.02 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.607 1.163 . . . . 0.0 109.373 178.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 tt -76.56 -45.89 28.58 Favored 'General case' 0 C--O 1.212 -0.888 0 C-N-CA 126.039 1.736 . . . . 0.0 106.952 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.93 -21.35 62.37 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 112.992 -1.913 . . . . 0.0 107.351 174.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -78.27 -25.6 46.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 113.651 -1.613 . . . . 0.0 106.647 173.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.58 -36.31 12.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 113.916 -1.493 . . . . 0.0 108.954 175.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 113.778 -1.555 . . . . 0.0 113.936 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 . . . . . 0 N--CA 1.469 0.524 0 CA-C-O 121.051 0.453 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.1 -24.28 11.63 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.825 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.35 -70.01 0.74 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.735 0.814 . . . . 0.0 111.832 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -61.47 -15.46 37.85 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 113.683 -1.599 . . . . 0.0 112.235 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -95.45 -38.13 10.6 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 124.392 1.077 . . . . 0.0 109.925 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -74.52 -12.78 60.56 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 122.013 0.911 . . . . 0.0 109.534 176.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.79 -43.34 8.66 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-N 113.032 -1.895 . . . . 0.0 106.666 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.15 -15.95 63.53 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 113.038 -1.892 . . . . 0.0 110.273 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.35 -26.78 15.76 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.665 1.186 . . . . 0.0 107.919 177.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.5 -45.1 32.36 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 113.791 -1.549 . . . . 0.0 109.198 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.56 -30.9 69.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 113.26 -1.791 . . . . 0.0 108.005 176.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -76.56 -28.53 56.31 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -76.5 -28.65 56.52 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 113.526 -1.67 . . . . 0.0 108.995 175.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mp -69.56 -49.57 53.05 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-O 123.166 1.46 . . . . 0.0 108.864 176.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.89 -25.95 0.88 Allowed 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 113.499 -1.682 . . . . 0.0 108.504 176.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.69 -37.76 8.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 112.154 -2.294 . . . . 0.0 112.241 176.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.68 -47.07 11.6 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 124.138 0.975 . . . . 0.0 109.74 -177.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -67.08 -31.23 71.58 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.071 176.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -81.26 -15.93 54.12 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 174.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.12 -23.73 19.34 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 114.254 -1.339 . . . . 0.0 107.524 175.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -88.91 -16.64 31.37 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 113.651 -1.613 . . . . 0.0 107.806 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.16 -22.06 19.29 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 176.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.6 -36.12 24.16 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-N 113.021 -1.899 . . . . 0.0 106.409 176.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 11.6 tp -76.42 -29.8 57.18 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 111.849 -2.432 . . . . 0.0 108.171 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.14 -19.95 35.69 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 177.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -87.99 -31.63 19.25 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 112.939 -1.937 . . . . 0.0 107.359 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -85.66 -16.52 38.85 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.43 -1.259 . . . . 0.0 109.649 176.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.92 -60.05 3.99 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.137 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -83.65 -44.4 14.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.617 -1.174 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.284 -179.763 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -96.37 -51.67 4.28 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.37 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -31.65 72.74 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 113.84 -1.527 . . . . 0.0 112.206 -178.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -93.0 -11.33 33.42 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.323 1.014 . . . . 0.0 110.071 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.11 -24.55 22.22 Favored 'General case' 0 C--O 1.227 -0.081 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 175.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -93.75 -20.17 20.37 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 112.037 -2.347 . . . . 0.0 107.157 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.07 -19.92 22.63 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 106.576 -1.638 . . . . 0.0 106.576 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.75 -29.49 18.67 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 113.061 -1.881 . . . . 0.0 106.008 175.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -81.81 -19.56 40.91 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 125.534 1.771 . . . . 0.0 106.798 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.66 -34.09 27.57 Favored 'General case' 0 N--CA 1.422 -1.847 0 N-CA-C 105.17 -2.159 . . . . 0.0 105.17 175.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -79.38 -18.93 51.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 111.601 -2.545 . . . . 0.0 108.729 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.05 -19.48 24.32 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.94 -31.82 23.4 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 111.09 -2.777 . . . . 0.0 107.016 175.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -82.89 -25.89 32.05 Favored 'General case' 0 CA--C 1.489 -1.389 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 176.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.73 -17.16 39.22 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 111.827 -2.442 . . . . 0.0 106.907 174.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -88.4 -27.42 21.59 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 174.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.65 -31.1 24.36 Favored 'General case' 0 CA--C 1.498 -1.039 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 176.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.55 -17.32 48.83 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 112.508 -2.133 . . . . 0.0 108.97 175.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.23 -29.42 20.46 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 104.465 -2.42 . . . . 0.0 104.465 175.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 tt -78.11 -40.55 37.95 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 112.416 -2.175 . . . . 0.0 106.715 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.52 -12.46 59.96 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 113.262 -1.79 . . . . 0.0 110.224 177.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -30.3 69.21 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 124.534 1.134 . . . . 0.0 109.342 178.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mp -71.96 -52.18 18.41 Favored 'General case' 0 C--O 1.2 -1.551 0 CA-C-N 113.746 -1.57 . . . . 0.0 107.762 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.96 -18.9 65.66 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 113.136 -1.847 . . . . 0.0 108.02 175.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -84.26 -26.89 28.29 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 113.11 -1.859 . . . . 0.0 107.301 173.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.82 -38.59 10.68 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.151 -1.386 . . . . 0.0 109.19 175.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.235 0.297 0 CA-C-N 113.645 -1.616 . . . . 0.0 113.239 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.13 -6.99 7.5 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 10.1 mt -95.11 -68.52 0.8 Allowed 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 124.263 1.025 . . . . 0.0 110.394 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -56.77 -14.86 3.73 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.915 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -95.66 -40.16 9.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 124.618 1.167 . . . . 0.0 109.294 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -75.82 -12.53 60.19 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 122.03 0.919 . . . . 0.0 109.709 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.29 -43.98 8.54 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 113.084 -1.871 . . . . 0.0 106.922 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.99 -16.33 64.0 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 113.298 -1.774 . . . . 0.0 109.967 176.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.09 -25.82 16.29 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 177.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 61.6 tp -77.56 -40.04 43.76 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 113.812 -1.54 . . . . 0.0 110.091 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -73.05 -31.24 64.29 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 111.851 -2.431 . . . . 0.0 108.047 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -78.92 -31.64 45.32 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 113.208 -1.815 . . . . 0.0 106.508 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -82.0 -14.72 55.58 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 113.764 -1.562 . . . . 0.0 109.606 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 tp -82.86 -33.69 26.99 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 124.877 1.271 . . . . 0.0 110.708 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -18.52 40.02 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 112.374 -2.194 . . . . 0.0 106.731 177.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.6 -20.34 19.68 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 112.36 -2.2 . . . . 0.0 106.555 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.98 -40.82 15.44 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 112.923 -1.944 . . . . 0.0 105.987 175.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -74.84 -29.49 61.06 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 113.384 -1.734 . . . . 0.0 108.235 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -78.29 -26.17 46.93 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 174.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.95 -20.14 29.39 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 125.132 1.52 . . . . 0.0 107.944 176.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -87.27 -13.97 42.26 Favored 'General case' 0 C--N 1.343 0.323 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.16 -25.05 18.02 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 112.619 -2.082 . . . . 0.0 106.74 176.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -85.57 -29.42 24.15 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.1 tp -80.77 -29.85 36.13 Favored 'General case' 0 C--O 1.206 -1.221 0 CA-C-N 111.875 -2.42 . . . . 0.0 107.903 176.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.3 -20.28 37.77 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -89.08 -31.4 18.05 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 112.887 -1.961 . . . . 0.0 107.985 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -87.61 -19.13 28.2 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.972 176.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mt -56.88 -60.23 3.88 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.428 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -88.87 -42.37 11.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.539 -1.21 . . . . 0.0 111.607 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.236 0 C-N-CA 124.302 1.041 . . . . 0.0 112.334 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.284 0 CA-C-O 121.049 0.452 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 tt -95.48 -57.45 2.39 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 125.175 1.39 . . . . 0.0 109.541 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -31.89 66.61 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 113.508 -1.678 . . . . 0.0 112.282 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -93.04 -11.56 32.76 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 124.282 0.989 . . . . 0.0 109.987 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.97 -23.56 21.5 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 175.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -93.65 -21.07 19.61 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 111.824 -2.443 . . . . 0.0 107.145 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.09 -18.68 24.14 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 175.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -28.75 17.32 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 175.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -82.53 -17.67 44.18 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 125.526 1.766 . . . . 0.0 106.988 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.75 -31.35 26.03 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 174.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -82.47 -23.03 34.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 110.629 -2.987 . . . . 0.0 109.201 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -90.45 -20.31 22.9 Favored 'General case' 0 CA--C 1.494 -1.184 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 175.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 tp -79.4 -37.3 37.55 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 111.631 -2.531 . . . . 0.0 106.578 175.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -34.05 66.18 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 112.681 -2.054 . . . . 0.0 106.996 176.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.79 -15.7 53.37 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 111.709 -2.496 . . . . 0.0 107.718 175.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -88.67 -25.92 22.12 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 174.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.26 -30.07 22.62 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 113.471 -1.695 . . . . 0.0 106.66 176.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.41 -18.46 35.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 112.375 -2.193 . . . . 0.0 108.811 176.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.49 -30.97 20.23 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 104.408 -2.442 . . . . 0.0 104.408 175.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 tt -73.33 -41.79 63.07 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 112.589 -2.096 . . . . 0.0 106.065 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.65 -13.58 60.65 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 113.377 -1.738 . . . . 0.0 110.439 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.96 -27.33 43.49 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.437 1.095 . . . . 0.0 109.57 178.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.74 -35.23 60.27 Favored 'General case' 0 CA--C 1.498 -1.024 0 C-N-CA 125.756 1.623 . . . . 0.0 108.62 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -82.59 -20.23 36.86 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 111.645 -2.525 . . . . 0.0 106.56 175.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -81.69 -24.41 36.24 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 113.163 -1.835 . . . . 0.0 106.763 173.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.17 -35.82 12.95 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.034 -1.439 . . . . 0.0 108.516 175.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 113.584 -1.643 . . . . 0.0 113.588 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.82 -19.16 13.51 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tt -96.7 -69.4 0.76 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.926 0.89 . . . . 0.0 110.894 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -60.29 -14.38 17.83 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 114.727 -1.124 . . . . 0.0 112.162 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -95.49 -39.01 10.19 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.387 1.075 . . . . 0.0 109.558 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -75.35 -12.69 60.32 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 122.0 0.905 . . . . 0.0 109.459 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 mp -93.29 -43.87 8.59 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 113.043 -1.89 . . . . 0.0 106.678 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.06 -19.29 65.92 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 113.1 -1.864 . . . . 0.0 109.845 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.08 -25.75 17.04 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.31 -1.314 . . . . 0.0 108.368 177.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -86.68 -11.39 51.39 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.424 -1.262 . . . . 0.0 109.464 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -95.16 -32.28 13.14 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 112.974 -1.921 . . . . 0.0 106.16 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -29.87 34.28 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 112.844 -1.98 . . . . 0.0 107.115 175.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -83.66 -13.52 53.99 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 114.251 -1.34 . . . . 0.0 109.254 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 tt -80.0 -38.0 33.03 Favored 'General case' 0 C--O 1.216 -0.69 0 C-N-CA 124.938 1.295 . . . . 0.0 109.919 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -71.59 -26.27 62.53 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 112.856 -1.974 . . . . 0.0 107.963 175.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.0 -21.72 24.67 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 110.049 -3.251 . . . . 0.0 108.024 178.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.84 -38.84 17.69 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 105.696 -1.964 . . . . 0.0 105.696 176.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -74.94 -30.07 61.13 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 112.819 -1.991 . . . . 0.0 108.393 177.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -77.86 -25.58 48.77 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -86.16 -21.89 27.31 Favored 'General case' 0 C--N 1.347 0.482 0 CA-C-N 113.766 -1.561 . . . . 0.0 108.104 176.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -86.3 -13.66 45.96 Favored 'General case' 0 C--N 1.34 0.184 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 175.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.02 -24.11 18.45 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 112.746 -2.024 . . . . 0.0 106.383 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -85.06 -30.39 24.14 Favored 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 tp -80.84 -29.02 35.92 Favored 'General case' 0 C--O 1.207 -1.144 0 CA-C-N 111.712 -2.495 . . . . 0.0 108.031 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.52 -20.24 37.12 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 176.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -88.86 -32.81 17.6 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 112.814 -1.994 . . . . 0.0 107.991 176.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 58.9 mttt -87.35 -16.54 34.73 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.538 -1.21 . . . . 0.0 110.13 176.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.83 -59.84 4.44 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.462 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -83.04 -41.23 18.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.592 -1.185 . . . . 0.0 112.095 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.324 -179.903 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.341 0 CA-C-O 120.976 0.417 . . . . 0.0 112.116 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 tt -95.78 -62.09 1.35 Allowed 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.301 -1.318 . . . . 0.0 109.938 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -32.13 68.82 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 113.448 -1.706 . . . . 0.0 112.615 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -93.83 -11.41 31.26 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 124.153 0.908 . . . . 0.0 110.638 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -22.83 22.66 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 175.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -92.06 -30.93 15.76 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 111.584 -2.553 . . . . 0.0 106.874 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.52 -17.28 39.47 Favored 'General case' 0 CA--C 1.509 -0.615 0 O-C-N 125.04 1.463 . . . . 0.0 107.149 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -28.65 23.21 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 174.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -84.17 -18.93 35.07 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 112.921 -1.945 . . . . 0.0 107.542 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.28 -22.41 23.92 Favored 'General case' 0 CA--C 1.495 -1.149 0 N-CA-C 105.096 -2.187 . . . . 0.0 105.096 174.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -86.77 -25.02 24.87 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 110.954 -2.839 . . . . 0.0 108.683 176.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.65 -19.99 23.02 Favored 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -81.43 -33.89 31.84 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 111.772 -2.467 . . . . 0.0 106.568 175.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.81 -35.06 60.16 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 126.454 1.902 . . . . 0.0 106.623 177.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.14 -23.64 51.68 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-N 111.473 -2.603 . . . . 0.0 107.101 175.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.99 -22.94 28.92 Favored 'General case' 0 C--O 1.213 -0.844 0 O-C-N 124.987 1.429 . . . . 0.0 107.209 176.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -89.14 -19.55 25.36 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 174.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -14.03 35.28 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 112.18 -2.282 . . . . 0.0 108.343 174.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -97.38 -42.81 7.58 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.94 -51.38 8.12 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 111.781 -2.463 . . . . 0.0 113.076 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.57 -12.21 32.37 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -28.52 17.58 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 118.346 0.521 . . . . 0.0 109.836 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tt -75.36 -35.82 61.06 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 126.411 1.885 . . . . 0.0 107.608 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.41 -33.98 71.99 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 111.552 -2.567 . . . . 0.0 107.222 175.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -77.24 -34.43 55.86 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 111.84 -2.436 . . . . 0.0 108.734 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.4 -34.28 67.77 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 175.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.511 -0.521 0 CA-C-N 112.178 -2.283 . . . . 0.0 109.779 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 . . . . . 0 N--CA 1.469 0.484 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.04 -6.54 0.25 Allowed 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.8 mt -94.64 -68.39 0.8 Allowed 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.026 0.93 . . . . 0.0 109.864 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -59.83 -12.25 7.08 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 114.436 -1.256 . . . . 0.0 111.603 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -95.6 -41.3 8.99 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.689 1.196 . . . . 0.0 109.274 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -75.16 -12.63 60.34 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.865 0.841 . . . . 0.0 109.834 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -93.33 -44.17 8.43 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 113.291 -1.777 . . . . 0.0 106.812 178.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.57 -19.26 65.85 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 113.132 -1.849 . . . . 0.0 109.902 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.38 -25.99 17.45 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.352 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -86.16 -11.0 53.72 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.515 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -94.61 -29.43 14.86 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 113.279 -1.782 . . . . 0.0 106.623 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -29.21 23.88 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 112.427 -2.169 . . . . 0.0 107.223 175.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -89.0 -13.98 37.59 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 114.402 -1.272 . . . . 0.0 110.723 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 11.6 tp -82.53 -30.81 29.51 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 124.771 1.228 . . . . 0.0 111.396 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.43 -18.84 34.66 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 126.762 2.025 . . . . 0.0 106.686 177.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.34 -17.46 21.6 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 112.161 -2.291 . . . . 0.0 106.688 177.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.47 -43.05 9.93 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 176.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -74.43 -27.1 60.46 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 113.74 -1.573 . . . . 0.0 109.313 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -80.42 -19.35 46.4 Favored 'General case' 0 C--N 1.344 0.339 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 174.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -93.5 -26.08 17.32 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 113.479 -1.691 . . . . 0.0 109.072 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -88.41 -15.75 34.67 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 114.429 -1.259 . . . . 0.0 108.758 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.94 -21.12 19.99 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 175.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -36.95 21.42 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 112.747 -2.024 . . . . 0.0 106.75 176.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 8.7 tp -77.65 -28.57 51.32 Favored 'General case' 0 C--O 1.204 -1.324 0 CA-C-N 112.015 -2.357 . . . . 0.0 108.325 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.0 -21.48 33.88 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 106.576 -1.638 . . . . 0.0 106.576 177.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.5 -31.72 21.16 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 112.731 -2.031 . . . . 0.0 107.744 176.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -88.21 -16.36 33.49 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.115 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 61.6 tp -61.35 -59.7 4.87 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.371 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -88.11 -42.44 12.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.112 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.066 -0.969 . . . . 0.0 111.176 -179.701 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 121.384 0.612 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tt -92.09 -46.95 7.51 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 113.739 -1.573 . . . . 0.0 106.88 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.08 -25.93 65.58 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 112.983 -1.917 . . . . 0.0 108.982 176.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -89.45 -16.32 31.11 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 113.907 -1.497 . . . . 0.0 110.423 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -22.75 23.31 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -90.75 -31.13 16.66 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 111.867 -2.424 . . . . 0.0 106.946 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.93 -19.66 36.82 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 113.28 -1.782 . . . . 0.0 107.872 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.71 -22.41 19.42 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 176.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -86.09 -21.5 27.64 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 113.015 -1.902 . . . . 0.0 106.621 175.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.36 -34.9 21.7 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 113.241 -1.8 . . . . 0.0 106.849 176.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 7.4 t-105 -79.22 -19.84 49.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 111.519 -2.582 . . . . 0.0 107.949 176.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.46 -32.35 20.87 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 175.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.94 -31.54 64.67 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 111.529 -2.578 . . . . 0.0 106.968 176.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -32.89 39.45 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 112.997 -1.91 . . . . 0.0 107.656 177.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.08 -18.32 47.0 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 111.976 -2.374 . . . . 0.0 108.238 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.86 -38.31 19.63 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 176.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.96 -43.89 61.75 Favored 'General case' 0 C--O 1.204 -1.291 0 CA-C-N 111.813 -2.449 . . . . 0.0 106.086 174.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -65.97 -12.56 55.83 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.057 -1.428 . . . . 0.0 108.394 176.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.71 -35.08 10.68 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 174.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.72 -53.31 4.47 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 113.409 -1.723 . . . . 0.0 111.959 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.63 -13.39 56.58 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.17 -21.67 18.93 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.38 -35.45 73.52 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 126.329 1.852 . . . . 0.0 107.627 176.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.95 -23.98 52.38 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 112.003 -2.362 . . . . 0.0 107.207 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -83.98 -35.08 24.2 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 112.593 -2.094 . . . . 0.0 107.807 175.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.43 -33.09 62.87 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 106.098 -1.816 . . . . 0.0 106.098 175.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 N--CA 1.449 -0.49 0 CA-C-N 112.499 -2.137 . . . . 0.0 109.134 176.251 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 . . . . . 0 CA--C 1.536 0.43 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.31 -20.75 13.03 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -178.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tt -97.49 -69.61 0.75 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.246 0.618 . . . . 0.0 111.477 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -62.08 -14.56 37.54 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 114.58 -1.191 . . . . 0.0 112.39 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -95.77 -40.36 9.39 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.402 1.081 . . . . 0.0 109.707 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -75.53 -12.49 60.24 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-O 121.81 0.814 . . . . 0.0 109.812 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -93.23 -44.56 8.27 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 113.325 -1.762 . . . . 0.0 106.765 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.68 -18.59 65.44 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 113.368 -1.742 . . . . 0.0 110.044 176.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.66 -25.31 17.54 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 114.439 -1.255 . . . . 0.0 108.225 177.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -87.26 -14.06 42.03 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.12 -1.4 . . . . 0.0 109.668 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -94.98 -32.6 13.1 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 126.329 1.852 . . . . 0.0 106.482 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -29.73 42.17 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 112.547 -2.115 . . . . 0.0 107.033 175.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -85.65 -14.49 45.37 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.064 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.09 -17.21 28.13 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 124.557 1.143 . . . . 0.0 109.644 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.23 -19.89 18.97 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 126.233 1.813 . . . . 0.0 106.175 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.28 -27.87 15.27 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 112.115 -2.311 . . . . 0.0 108.33 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.67 -41.97 12.99 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -66.12 -30.58 71.1 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.374 175.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -77.09 -27.83 54.3 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 174.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.92 -20.14 29.45 Favored 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 125.015 1.447 . . . . 0.0 108.266 177.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -86.63 -13.7 44.86 Favored 'General case' 0 C--N 1.346 0.427 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 174.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.11 -24.75 18.17 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 112.674 -2.057 . . . . 0.0 106.538 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -85.71 -29.84 23.61 Favored 'General case' 0 CA--C 1.497 -1.079 0 N-CA-C 106.206 -1.776 . . . . 0.0 106.206 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.7 tp -80.86 -29.27 35.82 Favored 'General case' 0 C--O 1.205 -1.277 0 CA-C-N 111.948 -2.387 . . . . 0.0 108.01 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.77 -20.41 35.93 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 176.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -89.21 -31.38 17.94 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 112.796 -2.002 . . . . 0.0 107.988 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -87.95 -18.84 28.21 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.105 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -56.51 -59.95 4.24 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.46 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -81.78 -41.36 21.27 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.461 -1.245 . . . . 0.0 112.113 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.285 -179.873 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.317 0 CA-C-O 121.346 0.593 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -92.5 -36.71 12.92 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 113.796 -1.547 . . . . 0.0 107.552 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.26 -23.61 47.23 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 113.2 -1.818 . . . . 0.0 108.024 176.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -88.53 -17.71 29.67 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 113.329 -1.76 . . . . 0.0 109.579 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.08 -24.08 22.37 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 106.514 -1.662 . . . . 0.0 106.514 177.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.55 -18.67 21.99 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 112.333 -2.212 . . . . 0.0 107.013 177.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.06 -20.99 21.46 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.61 -29.77 17.59 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 112.976 -1.92 . . . . 0.0 106.092 176.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -82.47 -18.68 40.84 Favored 'General case' 0 CA--C 1.508 -0.658 0 O-C-N 125.398 1.686 . . . . 0.0 106.807 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.23 -34.19 28.97 Favored 'General case' 0 N--CA 1.423 -1.785 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 174.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -79.52 -19.64 49.11 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 111.485 -2.598 . . . . 0.0 108.814 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.53 -18.87 24.51 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 174.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.92 -32.22 23.22 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-N 111.233 -2.712 . . . . 0.0 106.939 175.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -82.2 -26.59 33.2 Favored 'General case' 0 CA--C 1.49 -1.363 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.83 -16.89 39.84 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 111.753 -2.476 . . . . 0.0 106.973 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.53 -26.47 20.86 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.56 -29.95 23.75 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 106.444 -1.687 . . . . 0.0 106.444 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.61 -19.01 39.21 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 112.447 -2.16 . . . . 0.0 108.944 175.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.14 -30.12 20.05 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 104.475 -2.417 . . . . 0.0 104.475 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 tt -75.06 -42.99 55.86 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 112.599 -2.091 . . . . 0.0 105.979 174.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.16 -12.88 61.38 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 113.518 -1.674 . . . . 0.0 110.343 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.66 -27.88 40.83 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 124.518 1.127 . . . . 0.0 109.234 178.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.69 -32.32 46.97 Favored 'General case' 0 CA--C 1.5 -0.949 0 C-N-CA 125.756 1.623 . . . . 0.0 109.183 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -84.36 -18.9 34.65 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 111.587 -2.551 . . . . 0.0 106.351 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -85.05 -26.19 27.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 112.738 -2.028 . . . . 0.0 107.188 173.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.08 -31.55 17.09 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 114.461 -1.245 . . . . 0.0 107.799 175.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 113.344 -1.753 . . . . 0.0 113.007 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.3 -7.08 20.26 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.1 tt -95.41 -68.57 0.79 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.184 0.994 . . . . 0.0 110.271 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -59.57 -12.98 7.55 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.586 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -95.83 -40.01 9.54 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.743 1.217 . . . . 0.0 109.48 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -75.5 -12.77 60.3 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 122.041 0.924 . . . . 0.0 109.804 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -93.44 -44.16 8.39 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 113.143 -1.844 . . . . 0.0 106.802 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.79 -16.66 64.22 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 113.204 -1.816 . . . . 0.0 110.026 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.76 -26.41 16.27 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.573 -1.194 . . . . 0.0 108.084 177.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -81.38 -28.49 34.38 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 114.139 -1.392 . . . . 0.0 109.661 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -82.88 -29.84 29.02 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 126.158 1.783 . . . . 0.0 106.837 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -27.81 45.3 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 112.717 -2.038 . . . . 0.0 105.905 174.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -77.2 -28.51 53.93 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 113.54 -1.664 . . . . 0.0 109.181 175.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -44.82 89.85 Favored 'General case' 0 C--O 1.203 -1.391 0 CA-C-O 123.524 1.63 . . . . 0.0 109.414 176.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -21.28 63.99 Favored 'General case' 0 C--N 1.29 -2.003 0 CA-C-N 112.668 -2.06 . . . . 0.0 107.896 176.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.65 -38.3 8.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 113.082 -1.872 . . . . 0.0 112.247 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.83 -40.88 14.5 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.078 0.951 . . . . 0.0 110.285 -176.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -76.18 -24.35 54.74 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 114.296 -1.32 . . . . 0.0 107.771 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -83.93 -18.07 38.59 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 173.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -90.15 -23.95 21.2 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 113.622 -1.626 . . . . 0.0 107.665 175.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -89.5 -16.15 31.4 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 113.697 -1.592 . . . . 0.0 107.672 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.04 -21.57 19.65 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.52 -35.8 24.55 Favored 'General case' 0 N--CA 1.428 -1.54 0 CA-C-N 112.97 -1.923 . . . . 0.0 106.353 175.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.4 tp -76.65 -29.45 56.41 Favored 'General case' 0 C--O 1.208 -1.094 0 CA-C-N 111.758 -2.474 . . . . 0.0 108.036 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.39 -19.76 35.45 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 177.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -88.09 -32.62 18.62 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 112.893 -1.958 . . . . 0.0 107.58 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -86.32 -15.97 38.93 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.623 176.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 39.7 tp -57.12 -59.36 5.2 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.02 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -84.11 -41.28 17.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.757 -1.11 . . . . 0.0 112.009 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.278 -179.832 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.331 0 CA-C-O 121.049 0.452 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -95.72 -61.14 1.51 Allowed 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.248 -1.342 . . . . 0.0 109.822 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -31.88 67.26 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 113.62 -1.627 . . . . 0.0 112.435 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -92.19 -11.87 34.33 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.096 0.872 . . . . 0.0 110.305 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.42 -20.86 23.42 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 175.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -89.9 -36.72 14.88 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 111.241 -2.709 . . . . 0.0 106.545 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.81 -19.53 51.91 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 113.139 -1.846 . . . . 0.0 107.794 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.87 -28.84 18.97 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 175.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -80.24 -21.23 43.03 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 125.407 1.692 . . . . 0.0 106.761 176.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.6 -35.25 27.25 Favored 'General case' 0 N--CA 1.42 -1.929 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 175.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -78.87 -18.83 53.28 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 111.717 -2.492 . . . . 0.0 108.724 176.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -92.53 -16.47 25.69 Favored 'General case' 0 CA--C 1.495 -1.159 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 174.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -88.9 -24.46 22.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 111.368 -2.651 . . . . 0.0 106.957 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -91.28 -29.24 17.28 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 113.37 -1.741 . . . . 0.0 106.52 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.83 -19.03 31.27 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 111.99 -2.368 . . . . 0.0 107.982 175.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tt -86.0 -34.69 20.74 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 175.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.62 -39.04 70.72 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 112.363 -2.198 . . . . 0.0 107.772 175.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -78.86 -17.26 55.92 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 112.558 -2.11 . . . . 0.0 109.276 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.38 -31.78 19.93 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 175.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.13 -44.09 55.06 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 112.545 -2.116 . . . . 0.0 106.589 174.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.21 -13.38 61.9 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 112.692 -2.049 . . . . 0.0 110.555 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.02 -26.11 36.66 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.766 1.227 . . . . 0.0 109.281 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 tt -80.92 -44.62 17.98 Favored 'General case' 0 C--O 1.209 -1.053 0 C-N-CA 126.09 1.756 . . . . 0.0 107.077 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.65 -24.07 63.57 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 125.398 1.686 . . . . 0.0 106.736 174.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -72.6 -26.78 61.82 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 113.505 -1.679 . . . . 0.0 106.544 173.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.28 -41.05 9.24 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 113.667 -1.606 . . . . 0.0 109.593 175.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.235 0.301 0 CA-C-N 113.97 -1.468 . . . . 0.0 114.093 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 . . . . . 0 N--CA 1.469 0.509 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.01 -7.64 16.1 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -96.56 -69.15 0.77 Allowed 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.156 0.582 . . . . 0.0 112.168 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.06 -13.2 59.59 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.047 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -95.34 -37.44 10.97 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.358 1.063 . . . . 0.0 109.22 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 mmtt -76.21 -12.75 60.15 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 121.883 0.849 . . . . 0.0 109.132 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 9.1 tp -93.1 -40.27 10.6 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 113.203 -1.817 . . . . 0.0 106.787 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.78 -17.68 63.43 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 113.854 -1.521 . . . . 0.0 109.556 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.9 -25.2 16.67 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 114.096 -1.411 . . . . 0.0 108.266 177.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -87.11 -12.29 47.55 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.334 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -94.74 -32.59 13.26 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 126.045 1.738 . . . . 0.0 106.821 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -26.65 31.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 112.866 -1.97 . . . . 0.0 107.503 176.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -92.38 -13.9 29.45 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.006 176.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 6.7 tp -81.06 -40.77 23.66 Favored 'General case' 0 C--O 1.208 -1.091 0 C-N-CA 125.14 1.376 . . . . 0.0 111.418 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -17.02 55.12 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 111.691 -2.504 . . . . 0.0 107.779 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.29 -25.23 16.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 112.685 -2.052 . . . . 0.0 107.923 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.15 -42.09 12.57 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 113.729 -1.578 . . . . 0.0 106.99 177.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -71.06 -29.13 64.94 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 113.776 -1.557 . . . . 0.0 108.837 177.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.9 -28.09 55.2 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 174.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -86.22 -22.42 26.92 Favored 'General case' 0 CA--C 1.513 -0.449 0 O-C-N 125.119 1.512 . . . . 0.0 108.536 177.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -86.72 -13.62 44.84 Favored 'General case' 0 C--N 1.341 0.212 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.97 -24.96 18.21 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 112.87 -1.968 . . . . 0.0 106.557 176.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -85.9 -29.28 23.78 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 175.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.6 tp -80.82 -31.0 35.74 Favored 'General case' 0 C--O 1.208 -1.13 0 CA-C-N 111.849 -2.432 . . . . 0.0 107.949 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.68 -20.35 36.32 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 177.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -87.39 -31.78 19.92 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 113.058 -1.883 . . . . 0.0 107.55 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -86.18 -16.43 37.83 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.609 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 49.2 tp -58.73 -59.37 5.52 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.077 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -87.0 -41.87 13.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.806 -1.088 . . . . 0.0 112.076 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.283 -179.66 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.362 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tt -95.69 -61.01 1.53 Allowed 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.768 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -32.25 68.31 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 113.521 -1.672 . . . . 0.0 112.565 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -93.75 -11.46 31.34 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.254 0.971 . . . . 0.0 110.627 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.72 -23.12 23.03 Favored 'General case' 0 C--O 1.228 -0.077 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 175.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tp -91.77 -31.26 15.83 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 111.852 -2.431 . . . . 0.0 107.171 177.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.85 -19.6 40.69 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 113.7 -1.591 . . . . 0.0 107.556 176.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -29.82 17.45 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 176.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -82.05 -17.6 46.11 Favored 'General case' 0 CA--C 1.511 -0.55 0 O-C-N 125.415 1.697 . . . . 0.0 107.241 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.56 -31.83 24.15 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 175.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 14.2 t-105 -80.96 -24.0 38.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 110.901 -2.863 . . . . 0.0 109.012 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -91.88 -18.99 22.97 Favored 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -81.86 -33.34 30.65 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 111.675 -2.511 . . . . 0.0 106.277 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.2 -34.06 56.19 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-N 112.815 -1.993 . . . . 0.0 106.793 177.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.94 -15.55 53.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 111.698 -2.501 . . . . 0.0 107.508 175.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.39 -25.83 21.35 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 174.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.55 -30.3 22.0 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 113.575 -1.648 . . . . 0.0 106.794 176.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.17 -19.4 34.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 112.404 -2.18 . . . . 0.0 108.959 176.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.71 -31.4 19.72 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 104.459 -2.423 . . . . 0.0 104.459 175.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.15 -43.78 64.12 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 112.64 -2.073 . . . . 0.0 106.006 174.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.44 -16.02 62.37 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 113.568 -1.651 . . . . 0.0 110.529 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.47 -27.5 41.57 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 124.503 1.121 . . . . 0.0 109.552 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -76.06 -42.67 46.78 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 125.999 1.72 . . . . 0.0 108.182 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.09 -22.87 61.29 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 112.506 -2.134 . . . . 0.0 107.669 176.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -84.37 -34.92 23.51 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 113.06 -1.882 . . . . 0.0 107.698 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.79 -37.07 65.08 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 175.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-N 112.692 -2.049 . . . . 0.0 109.674 176.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.55 -14.08 17.61 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -97.07 -68.59 0.79 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.182 0.993 . . . . 0.0 111.006 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -55.47 -15.5 2.8 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 114.022 -1.444 . . . . 0.0 111.986 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -95.87 -40.27 9.4 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.583 1.153 . . . . 0.0 109.365 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -75.78 -12.32 60.16 Favored 'General case' 0 N--CA 1.486 1.325 0 CA-C-O 121.944 0.878 . . . . 0.0 109.874 177.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.33 -45.65 7.72 Favored 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 126.376 1.87 . . . . 0.0 106.772 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.65 -14.85 63.29 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 113.278 -1.783 . . . . 0.0 110.463 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.13 -27.75 15.41 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.517 1.127 . . . . 0.0 108.24 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 tp -81.08 -32.83 33.75 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.004 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -78.72 -30.24 45.81 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 126.676 1.99 . . . . 0.0 107.72 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -31.83 43.9 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 113.083 -1.871 . . . . 0.0 106.763 175.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -86.23 -14.96 42.32 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 113.929 -1.487 . . . . 0.0 110.804 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 tp -87.18 -29.89 21.42 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 124.189 0.996 . . . . 0.0 110.73 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.42 -19.05 34.11 Favored 'General case' 0 C--N 1.309 -1.171 0 C-N-CA 126.767 2.027 . . . . 0.0 106.657 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.26 -16.28 22.58 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 112.529 -2.123 . . . . 0.0 106.692 177.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.83 -42.47 9.51 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 112.946 -1.934 . . . . 0.0 105.903 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -77.02 -27.0 54.4 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 113.518 -1.673 . . . . 0.0 109.499 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -80.47 -18.4 48.78 Favored 'General case' 0 C--N 1.345 0.395 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 174.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -93.43 -25.86 17.47 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 113.442 -1.708 . . . . 0.0 108.806 176.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.07 -16.44 31.57 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 114.317 -1.31 . . . . 0.0 108.64 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.96 -21.17 19.94 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 105.804 -1.924 . . . . 0.0 105.804 176.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.87 -37.36 22.52 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-N 112.932 -1.94 . . . . 0.0 106.58 176.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 7.2 tp -78.07 -27.64 48.62 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-N 112.091 -2.322 . . . . 0.0 108.337 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.36 -20.7 33.79 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 177.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -89.12 -31.7 17.87 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 112.94 -1.936 . . . . 0.0 108.092 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -87.11 -19.48 28.47 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.134 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -58.29 -60.34 3.93 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.465 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -93.48 -42.35 9.3 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.601 -1.182 . . . . 0.0 111.66 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.178 0 C-N-CA 124.345 1.058 . . . . 0.0 112.299 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.43 0 CA-C-O 121.965 0.888 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 10.3 mp -94.22 -52.4 4.38 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 112.868 -1.969 . . . . 0.0 108.976 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.36 -30.48 64.88 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 113.517 -1.674 . . . . 0.0 111.047 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -87.43 -23.31 24.54 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 114.569 -1.196 . . . . 0.0 109.988 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -19.19 37.18 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tt -89.03 -34.35 16.84 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 111.145 -2.752 . . . . 0.0 105.892 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.05 -22.85 48.49 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 112.839 -1.982 . . . . 0.0 108.447 176.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -84.85 -37.73 20.33 Favored 'General case' 0 CA--C 1.49 -1.348 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -73.09 -20.23 60.99 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 111.536 -2.575 . . . . 0.0 108.418 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.63 -31.72 24.07 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 175.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -80.23 -23.44 40.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 110.951 -2.84 . . . . 0.0 108.845 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -92.2 -17.59 24.64 Favored 'General case' 0 CA--C 1.497 -1.093 0 N-CA-C 106.233 -1.766 . . . . 0.0 106.233 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -83.12 -31.16 27.38 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 111.671 -2.513 . . . . 0.0 106.018 174.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.99 -34.5 32.94 Favored 'General case' 0 N--CA 1.433 -1.318 0 CA-C-N 112.835 -1.984 . . . . 0.0 107.353 177.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.07 -17.24 47.32 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 111.986 -2.37 . . . . 0.0 107.896 175.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 tp -83.34 -37.53 23.25 Favored 'General case' 0 CA--C 1.495 -1.154 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.27 -40.15 59.08 Favored 'General case' 0 C--O 1.205 -1.237 0 CA-C-N 111.713 -2.494 . . . . 0.0 106.504 175.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -12.16 61.35 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 113.642 -1.617 . . . . 0.0 108.345 176.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.63 -34.5 10.92 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 174.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.88 -53.23 4.48 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 113.297 -1.774 . . . . 0.0 112.532 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.77 -12.6 41.68 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -176.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.45 -26.05 24.89 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tt -70.55 -46.89 62.7 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 113.663 -1.608 . . . . 0.0 107.235 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -25.55 64.44 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 125.522 1.764 . . . . 0.0 107.166 174.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -76.41 -24.14 54.04 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.331 -1.758 . . . . 0.0 107.055 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.1 -40.36 9.66 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 114.121 -1.399 . . . . 0.0 109.227 175.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.235 0.333 0 CA-C-N 113.699 -1.591 . . . . 0.0 114.057 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 111.531 0.197 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.5 -8.36 17.1 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 tt -96.77 -69.16 0.77 Allowed 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.792 0.837 . . . . 0.0 110.635 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.73 -13.01 12.3 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 114.343 -1.299 . . . . 0.0 112.039 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -95.85 -41.34 8.87 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.513 1.125 . . . . 0.0 109.503 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -75.57 -12.58 60.25 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.907 177.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.43 -44.43 8.26 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 113.456 -1.702 . . . . 0.0 106.732 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.91 -19.8 66.12 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 113.248 -1.796 . . . . 0.0 110.006 176.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.01 -25.63 17.88 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.286 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.55 -14.89 41.6 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.857 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -95.05 -30.57 14.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 113.256 -1.793 . . . . 0.0 106.29 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -30.62 41.1 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 112.621 -2.081 . . . . 0.0 106.541 175.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -81.98 -13.85 56.84 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 113.945 -1.48 . . . . 0.0 109.351 175.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -87.92 -19.72 26.92 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 125.012 1.325 . . . . 0.0 109.736 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -19.41 19.84 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 105.971 -1.863 . . . . 0.0 105.971 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.29 -25.85 16.17 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 112.117 -2.31 . . . . 0.0 108.223 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.43 -40.42 13.51 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -68.79 -29.23 67.54 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 114.015 -1.448 . . . . 0.0 108.762 175.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -81.49 -17.7 47.71 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 174.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -91.38 -23.95 19.91 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 113.765 -1.562 . . . . 0.0 107.704 176.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -87.76 -16.18 34.92 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 113.658 -1.61 . . . . 0.0 107.555 176.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.02 -21.84 19.51 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 176.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -35.8 22.86 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 112.875 -1.966 . . . . 0.0 106.387 175.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 tp -76.01 -30.01 58.36 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-N 111.93 -2.395 . . . . 0.0 107.921 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.58 -19.68 35.12 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.74 -32.47 19.13 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 112.741 -2.027 . . . . 0.0 107.484 176.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -86.17 -17.15 35.65 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.287 -1.324 . . . . 0.0 109.613 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.12 -59.18 5.47 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.86 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -86.73 -42.04 13.67 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.639 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.23 0 C-N-CA 124.441 1.097 . . . . 0.0 112.212 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 tt -96.17 -61.83 1.38 Allowed 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 114.286 -1.324 . . . . 0.0 110.173 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -32.44 71.77 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 113.469 -1.696 . . . . 0.0 112.791 -178.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -93.72 -10.96 32.57 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 124.288 0.992 . . . . 0.0 110.543 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.1 -24.81 22.17 Favored 'General case' 0 C--O 1.225 -0.187 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 175.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.87 -21.72 19.08 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 112.125 -2.307 . . . . 0.0 107.508 177.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.88 -20.21 22.5 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.77 -30.34 17.08 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 113.283 -1.78 . . . . 0.0 106.248 175.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -80.68 -20.01 43.93 Favored 'General case' 0 CA--C 1.508 -0.655 0 O-C-N 125.268 1.605 . . . . 0.0 106.743 176.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.54 -36.29 26.47 Favored 'General case' 0 N--CA 1.422 -1.862 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 175.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -78.16 -19.55 53.75 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 111.805 -2.452 . . . . 0.0 108.844 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -92.48 -15.84 26.57 Favored 'General case' 0 CA--C 1.494 -1.194 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 174.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -89.94 -24.71 21.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 111.352 -2.658 . . . . 0.0 107.295 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -92.94 -28.73 16.27 Favored 'General case' 0 CA--C 1.496 -1.135 0 CA-C-N 113.389 -1.732 . . . . 0.0 106.617 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.0 -17.82 32.11 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 112.125 -2.307 . . . . 0.0 107.952 175.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 tt -85.61 -36.01 20.63 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 105.225 -2.139 . . . . 0.0 105.225 175.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -41.82 63.68 Favored 'General case' 0 N--CA 1.431 -1.399 0 CA-C-N 112.092 -2.322 . . . . 0.0 108.602 176.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -77.04 -15.68 59.52 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 113.334 -1.757 . . . . 0.0 109.499 176.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.91 -31.92 16.2 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 104.264 -2.495 . . . . 0.0 104.264 175.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 tt -74.69 -48.38 26.32 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 112.405 -2.18 . . . . 0.0 106.886 175.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.43 -13.13 62.0 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.365 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.23 -21.5 24.47 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.997 0.919 . . . . 0.0 109.469 178.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -84.57 -42.79 15.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 113.259 -1.791 . . . . 0.0 108.637 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.53 -27.29 55.91 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 112.702 -2.045 . . . . 0.0 108.434 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -86.43 -25.07 25.43 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 124.918 1.386 . . . . 0.0 107.689 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.41 -37.32 65.96 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 105.464 -2.05 . . . . 0.0 105.464 174.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.651 0 CA-C-N 111.455 -2.612 . . . . 0.0 110.935 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.514 0 CA-C-O 120.366 0.127 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.31 -10.71 15.31 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.1 mt -97.06 -70.15 0.73 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.384 0.612 . . . . 0.0 112.082 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.98 -12.89 41.97 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.964 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -95.89 -38.71 10.15 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.364 1.066 . . . . 0.0 109.728 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -76.03 -12.58 60.15 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 121.975 0.893 . . . . 0.0 109.517 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.5 -43.73 8.58 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 113.125 -1.852 . . . . 0.0 106.735 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.88 -18.96 65.63 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 112.988 -1.915 . . . . 0.0 110.008 176.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.33 -24.26 18.18 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.263 177.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -86.11 -16.16 38.87 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 114.168 -1.378 . . . . 0.0 109.439 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -94.61 -29.18 14.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.491 -1.686 . . . . 0.0 107.119 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -29.64 25.74 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 112.885 -1.961 . . . . 0.0 107.239 175.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -84.91 -18.29 35.16 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.8 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tp -72.34 -38.07 68.71 Favored 'General case' 0 C--O 1.205 -1.277 0 CA-C-O 123.436 1.589 . . . . 0.0 110.222 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -19.51 61.06 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 111.528 -2.578 . . . . 0.0 107.515 177.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.11 -33.42 10.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 112.962 -1.927 . . . . 0.0 111.651 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.91 -40.63 11.61 Favored 'General case' 0 CA--C 1.51 -0.562 0 O-C-N 124.125 0.891 . . . . 0.0 109.815 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -78.91 -21.81 46.8 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 114.494 -1.23 . . . . 0.0 108.52 177.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -84.03 -17.83 39.08 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 173.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -92.0 -24.14 19.31 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 113.436 -1.711 . . . . 0.0 107.994 176.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -90.39 -15.08 31.69 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-N 114.01 -1.45 . . . . 0.0 107.798 176.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.99 -21.73 19.59 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 175.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -36.57 23.86 Favored 'General case' 0 N--CA 1.427 -1.604 0 CA-C-N 112.764 -2.016 . . . . 0.0 106.448 176.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 8.3 tp -77.83 -28.1 50.13 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-N 111.959 -2.382 . . . . 0.0 108.186 176.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.1 -20.25 35.21 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 176.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -89.03 -32.86 17.38 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 112.814 -1.994 . . . . 0.0 107.952 176.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -86.48 -17.52 34.0 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.026 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.01 -60.18 4.12 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.211 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -91.38 -42.38 10.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.615 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.168 0 C-N-CA 124.412 1.085 . . . . 0.0 112.245 -179.944 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.381 0 CA-C-O 121.0 0.428 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -86.63 -34.93 19.67 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.346 -1.297 . . . . 0.0 107.575 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.36 -23.6 43.25 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 113.054 -1.885 . . . . 0.0 108.019 176.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -89.75 -18.26 26.68 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 113.38 -1.736 . . . . 0.0 109.747 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -24.8 23.49 Favored 'General case' 0 C--O 1.226 -0.145 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 176.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.52 -19.58 21.08 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 112.388 -2.187 . . . . 0.0 107.187 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.86 -21.18 21.57 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 176.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -29.44 18.16 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 113.171 -1.831 . . . . 0.0 106.158 176.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -82.1 -18.8 41.73 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 125.327 1.642 . . . . 0.0 106.827 176.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.56 -32.71 23.67 Favored 'General case' 0 N--CA 1.429 -1.519 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 175.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -80.0 -24.24 40.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 111.219 -2.719 . . . . 0.0 109.179 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -91.02 -19.7 22.9 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 176.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -82.08 -33.98 29.56 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 111.702 -2.499 . . . . 0.0 106.413 175.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -33.83 58.2 Favored 'General case' 0 N--CA 1.435 -1.223 0 C-N-CA 126.425 1.89 . . . . 0.0 106.961 177.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.86 -16.18 51.6 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 111.775 -2.466 . . . . 0.0 107.641 175.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.4 -26.8 20.83 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.68 -30.94 21.32 Favored 'General case' 0 CA--C 1.499 -1.003 0 CA-C-N 113.558 -1.655 . . . . 0.0 106.886 176.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.14 -18.62 38.81 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 112.7 -2.046 . . . . 0.0 109.105 176.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.1 -31.4 19.24 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 175.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tt -73.98 -43.33 58.48 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 112.663 -2.062 . . . . 0.0 106.578 174.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.43 -12.81 60.6 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 113.481 -1.69 . . . . 0.0 110.534 177.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.59 -30.15 56.86 Favored 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 124.587 1.155 . . . . 0.0 109.791 178.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tt -77.88 -40.54 39.64 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 125.868 1.667 . . . . 0.0 108.777 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.44 -22.82 57.04 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 112.624 -2.08 . . . . 0.0 107.62 176.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -85.11 -34.71 22.13 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 113.215 -1.811 . . . . 0.0 107.827 174.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.12 -34.92 68.96 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 174.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.45 -0.442 0 CA-C-N 112.155 -2.293 . . . . 0.0 109.806 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.34 -19.5 13.45 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 tt -97.38 -69.62 0.75 Allowed 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 123.517 0.727 . . . . 0.0 111.461 -178.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.54 -14.22 39.74 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 114.643 -1.162 . . . . 0.0 112.416 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -95.67 -40.36 9.43 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 124.381 1.073 . . . . 0.0 109.679 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -75.81 -12.33 60.15 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 121.846 0.831 . . . . 0.0 109.71 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -93.35 -44.52 8.25 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 113.317 -1.765 . . . . 0.0 106.736 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.42 -19.74 65.71 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 113.362 -1.745 . . . . 0.0 109.891 176.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.94 -25.85 17.84 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 114.241 -1.345 . . . . 0.0 108.261 177.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -87.5 -10.99 50.22 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.465 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -95.06 -33.23 12.77 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 113.128 -1.851 . . . . 0.0 106.396 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -30.23 35.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 112.41 -2.177 . . . . 0.0 107.25 175.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -84.29 -14.11 50.65 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.567 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 10.8 tp -84.34 -30.97 25.07 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 124.933 1.293 . . . . 0.0 110.537 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.27 -18.94 34.78 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 127.119 2.168 . . . . 0.0 106.66 177.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.88 -18.05 21.5 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 112.332 -2.213 . . . . 0.0 106.613 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.41 -41.23 12.22 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 112.749 -2.023 . . . . 0.0 105.63 176.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -74.46 -28.11 60.89 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 113.294 -1.775 . . . . 0.0 108.861 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -81.97 -17.32 47.37 Favored 'General case' 0 C--N 1.346 0.444 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 174.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -92.4 -24.44 18.87 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 113.663 -1.608 . . . . 0.0 107.935 176.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -89.53 -15.25 33.35 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 113.831 -1.531 . . . . 0.0 107.933 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.92 -21.95 19.51 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 175.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.89 -36.52 23.3 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-N 112.693 -2.049 . . . . 0.0 106.474 176.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.2 tp -77.27 -28.4 53.47 Favored 'General case' 0 C--O 1.206 -1.188 0 CA-C-N 111.937 -2.392 . . . . 0.0 108.086 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.1 -20.22 35.26 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -89.2 -32.02 17.64 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 112.82 -1.991 . . . . 0.0 107.836 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -86.25 -19.53 29.81 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.453 -1.248 . . . . 0.0 109.924 176.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mt -57.95 -60.3 3.92 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.405 178.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -93.04 -42.34 9.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.609 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.16 0 C-N-CA 124.375 1.07 . . . . 0.0 112.252 -179.927 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 111.716 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 7.5 tt -95.89 -62.28 1.31 Allowed 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.813 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -32.09 67.36 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 113.37 -1.741 . . . . 0.0 112.423 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -93.98 -11.0 31.8 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.236 0.96 . . . . 0.0 110.602 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.67 -24.07 22.85 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 175.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 tp -89.32 -36.09 15.74 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 111.52 -2.582 . . . . 0.0 106.937 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.02 -17.06 53.79 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 125.331 1.645 . . . . 0.0 107.67 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.15 -28.08 22.67 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 104.97 -2.233 . . . . 0.0 104.97 174.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -82.69 -21.43 34.88 Favored 'General case' 0 C--N 1.343 0.325 0 O-C-N 125.851 1.97 . . . . 0.0 107.334 176.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -85.8 -28.57 24.42 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 104.911 -2.255 . . . . 0.0 104.911 175.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -83.18 -18.93 37.63 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 111.729 -2.487 . . . . 0.0 108.679 176.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.36 -18.62 25.18 Favored 'General case' 0 CA--C 1.493 -1.235 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 174.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.63 -34.42 23.09 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 110.943 -2.844 . . . . 0.0 106.804 175.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -82.64 -26.9 31.76 Favored 'General case' 0 CA--C 1.492 -1.259 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.43 -17.92 37.65 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 112.183 -2.28 . . . . 0.0 107.323 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 tt -86.58 -38.5 17.08 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 113.664 -1.607 . . . . 0.0 106.772 176.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -78.08 -24.47 47.6 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 125.443 1.714 . . . . 0.0 107.454 175.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.81 -15.71 47.31 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 112.908 -1.951 . . . . 0.0 107.935 175.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.18 -29.63 12.73 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 113.335 -1.757 . . . . 0.0 107.471 175.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.18 -47.42 7.8 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 113.549 -1.66 . . . . 0.0 112.21 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.0 -12.08 31.56 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.808 1.411 . . . . 0.0 114.808 -177.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -94.4 -42.64 8.77 Favored 'General case' 0 C--O 1.198 -1.631 0 CA-C-N 118.307 0.503 . . . . 0.0 110.684 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -61.69 -35.48 78.14 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 125.743 1.902 . . . . 0.0 110.895 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -80.68 -26.64 37.43 Favored 'General case' 0 CA--C 1.495 -1.139 0 CA-C-N 112.069 -2.332 . . . . 0.0 107.846 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -83.09 -32.26 26.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 112.009 -2.36 . . . . 0.0 108.566 175.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.84 -32.8 59.95 Favored 'General case' 0 CA--C 1.496 -1.1 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 N--CA 1.448 -0.53 0 CA-C-N 112.284 -2.235 . . . . 0.0 109.182 176.056 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.98 -7.61 16.13 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.0 tt -96.04 -68.63 0.79 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.044 0.938 . . . . 0.0 110.08 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.13 -14.01 14.88 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 114.589 -1.187 . . . . 0.0 112.022 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -95.67 -39.07 10.08 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.547 1.139 . . . . 0.0 109.395 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -75.84 -12.73 60.22 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.938 0.875 . . . . 0.0 109.755 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.18 -44.02 8.55 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 113.118 -1.855 . . . . 0.0 106.835 178.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.02 -19.21 65.78 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 113.288 -1.778 . . . . 0.0 109.808 176.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.33 -26.41 17.3 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 114.382 -1.281 . . . . 0.0 108.385 177.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.67 -13.07 49.68 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.572 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -94.36 -29.14 15.16 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 178.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -81.79 -30.29 32.33 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 112.398 -2.183 . . . . 0.0 106.291 175.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -84.58 -13.86 50.49 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.656 175.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -87.77 -16.67 33.53 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 124.447 1.099 . . . . 0.0 109.622 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.63 -21.0 18.5 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 112.543 -2.117 . . . . 0.0 105.519 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.92 -20.28 19.54 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 111.954 -2.384 . . . . 0.0 107.161 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.47 -36.16 16.62 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 176.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -77.06 -28.04 54.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 112.891 -1.959 . . . . 0.0 108.216 176.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -83.33 -16.97 44.05 Favored 'General case' 0 C--N 1.346 0.446 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 174.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.11 -22.39 19.92 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-N 113.51 -1.677 . . . . 0.0 107.524 176.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -90.58 -15.82 29.87 Favored 'General case' 0 C--N 1.343 0.294 0 CA-C-N 113.784 -1.553 . . . . 0.0 107.511 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.91 -21.83 19.6 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.78 -36.59 23.46 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-N 112.722 -2.035 . . . . 0.0 106.225 175.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 tp -74.56 -31.54 62.12 Favored 'General case' 0 C--O 1.201 -1.48 0 CA-C-N 111.998 -2.365 . . . . 0.0 107.714 175.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.39 -20.98 42.78 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 177.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -89.18 -30.42 18.58 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 112.965 -1.925 . . . . 0.0 108.108 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -87.62 -21.5 25.29 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.903 177.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.23 -60.07 4.12 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 121.684 0.754 . . . . 0.0 111.921 178.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -86.69 -43.35 12.66 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 113.61 -1.632 . . . . 0.0 112.049 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.201 0 C-N-CA 124.249 1.02 . . . . 0.0 112.297 -179.843 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.303 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tt -95.58 -58.45 2.11 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 125.122 1.369 . . . . 0.0 110.18 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -32.51 69.6 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 113.567 -1.651 . . . . 0.0 112.42 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -93.53 -11.05 32.81 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 124.115 0.885 . . . . 0.0 110.365 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.77 -23.13 22.97 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 175.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.98 -31.51 17.19 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 111.448 -2.614 . . . . 0.0 106.693 177.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.39 -16.61 42.14 Favored 'General case' 0 CA--C 1.511 -0.52 0 O-C-N 125.187 1.554 . . . . 0.0 106.863 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.82 -28.91 22.64 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 104.602 -2.369 . . . . 0.0 104.602 174.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -83.97 -18.79 36.07 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 112.915 -1.948 . . . . 0.0 107.589 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.25 -22.1 24.13 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 104.91 -2.255 . . . . 0.0 104.91 174.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -87.23 -22.95 24.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 110.699 -2.955 . . . . 0.0 108.374 176.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -93.05 -16.79 24.61 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 175.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.44 -25.49 26.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 111.601 -2.545 . . . . 0.0 106.272 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.06 -35.13 18.9 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 112.31 -2.223 . . . . 0.0 107.137 177.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.6 -16.92 46.62 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 112.14 -2.3 . . . . 0.0 108.176 176.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 tt -85.6 -36.04 20.63 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 105.269 -2.123 . . . . 0.0 105.269 174.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.14 -39.34 72.02 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-N 111.853 -2.43 . . . . 0.0 107.789 175.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.3 -16.03 57.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 112.496 -2.138 . . . . 0.0 109.283 176.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.2 -32.23 19.91 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 104.364 -2.458 . . . . 0.0 104.364 175.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.32 -41.86 55.85 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 112.531 -2.122 . . . . 0.0 107.156 174.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.72 -12.49 60.2 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 112.309 -2.223 . . . . 0.0 110.444 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -30.92 62.52 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 124.716 1.206 . . . . 0.0 109.263 178.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mp -73.86 -49.68 23.89 Favored 'General case' 0 C--O 1.202 -1.439 0 CA-C-N 113.625 -1.625 . . . . 0.0 107.322 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -21.06 66.17 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 125.92 2.012 . . . . 0.0 107.85 175.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -79.89 -27.4 40.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 113.548 -1.66 . . . . 0.0 107.039 173.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.5 -37.24 11.49 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 113.949 -1.478 . . . . 0.0 109.115 175.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 113.319 -1.764 . . . . 0.0 113.207 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 . . . . . 0 N--CA 1.469 0.492 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.5 -13.66 24.34 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.53 -69.43 0.76 Allowed 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.873 0.844 . . . . 0.0 111.616 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -58.64 -16.73 17.45 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 113.528 -1.669 . . . . 0.0 112.299 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -95.5 -36.52 11.27 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 124.195 0.998 . . . . 0.0 109.447 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -74.53 -12.85 60.58 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 122.214 1.007 . . . . 0.0 109.357 176.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mp -93.68 -43.89 8.43 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 112.866 -1.97 . . . . 0.0 106.731 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.71 -15.0 62.66 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 112.992 -1.913 . . . . 0.0 110.233 176.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.3 -26.87 16.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 177.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 49.1 tp -74.16 -44.17 54.53 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 113.591 -1.64 . . . . 0.0 109.278 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -70.55 -28.88 65.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 112.545 -2.116 . . . . 0.0 108.188 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -79.47 -29.05 41.54 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 174.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -76.33 -27.88 56.69 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 113.422 -1.717 . . . . 0.0 108.866 175.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mp -62.44 -47.7 82.91 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-O 123.539 1.638 . . . . 0.0 108.396 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -25.17 5.69 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 113.118 -1.855 . . . . 0.0 108.285 176.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.53 -35.56 9.11 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 112.61 -2.086 . . . . 0.0 112.44 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.24 -46.69 9.49 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 124.268 1.027 . . . . 0.0 109.886 -177.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -71.47 -25.28 62.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.119 -1.4 . . . . 0.0 108.279 176.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -84.18 -17.04 41.25 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 174.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.2 -23.06 19.49 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 113.635 -1.621 . . . . 0.0 107.455 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -89.89 -16.16 30.62 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 113.714 -1.585 . . . . 0.0 107.648 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.0 -21.33 19.82 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 106.109 -1.812 . . . . 0.0 106.109 176.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.18 -35.63 23.41 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 112.968 -1.924 . . . . 0.0 106.405 176.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.3 tp -76.76 -30.69 56.66 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 111.62 -2.536 . . . . 0.0 107.926 176.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.77 -20.2 36.32 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 177.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -85.85 -30.59 22.82 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 112.847 -1.979 . . . . 0.0 107.046 175.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -85.76 -18.1 33.96 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.029 -1.441 . . . . 0.0 109.576 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 10.2 tt -74.05 -60.34 2.31 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.658 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -76.05 -55.6 5.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.392 -1.276 . . . . 0.0 111.154 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.22 0 CA-C-N 114.628 -1.169 . . . . 0.0 112.322 179.819 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.257 0 CA-C-O 121.079 0.466 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -96.95 -53.78 3.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.275 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -32.57 74.36 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 113.616 -1.629 . . . . 0.0 112.712 -178.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -93.49 -10.84 33.57 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.233 0.958 . . . . 0.0 110.174 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.95 -23.18 22.74 Favored 'General case' 0 C--N 1.34 0.182 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 175.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp -91.8 -31.16 15.85 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 111.799 -2.455 . . . . 0.0 107.227 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.75 -20.01 36.77 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 113.515 -1.675 . . . . 0.0 107.542 176.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -29.4 18.52 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 175.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -80.63 -20.5 43.03 Favored 'General case' 0 CA--C 1.511 -0.541 0 O-C-N 125.439 1.712 . . . . 0.0 106.795 176.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.9 -35.41 26.16 Favored 'General case' 0 N--CA 1.42 -1.942 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 175.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -78.18 -19.39 54.01 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 111.804 -2.453 . . . . 0.0 108.689 176.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -92.2 -16.82 25.71 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -88.95 -23.9 22.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 111.315 -2.675 . . . . 0.0 107.201 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -91.07 -28.92 17.63 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 113.344 -1.753 . . . . 0.0 106.312 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.69 -19.43 30.88 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 111.995 -2.366 . . . . 0.0 107.858 175.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.51 -33.66 21.75 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 175.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.55 -39.06 65.0 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-N 112.466 -2.152 . . . . 0.0 107.915 175.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -77.41 -17.01 58.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 112.68 -2.054 . . . . 0.0 108.932 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.67 -31.14 18.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 104.602 -2.369 . . . . 0.0 104.602 175.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 tt -75.89 -41.12 52.97 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 112.541 -2.118 . . . . 0.0 106.574 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.74 -12.79 60.04 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 113.345 -1.752 . . . . 0.0 110.369 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.77 -28.87 61.89 Favored 'General case' 0 C--O 1.215 -0.738 0 C-N-CA 124.744 1.218 . . . . 0.0 110.167 178.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -29.29 33.0 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 125.426 1.49 . . . . 0.0 109.294 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -85.6 -21.14 28.62 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 111.904 -2.407 . . . . 0.0 106.589 177.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -88.36 -30.98 19.13 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 112.928 -1.942 . . . . 0.0 107.87 174.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.19 -31.1 60.86 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 174.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 N--CA 1.45 -0.471 0 CA-C-N 111.753 -2.476 . . . . 0.0 111.59 177.536 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 . . . . . 0 N--CA 1.47 0.561 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.54 -7.13 0.37 Allowed 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.92 -69.35 0.76 Allowed 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 123.627 0.771 . . . . 0.0 109.761 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -56.77 -14.23 3.19 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 113.743 -1.572 . . . . 0.0 111.926 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -95.97 -42.02 8.49 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.812 1.245 . . . . 0.0 109.344 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -76.69 -12.3 59.98 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.159 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -92.78 -44.16 8.66 Favored 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 126.026 1.73 . . . . 0.0 106.937 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.85 -16.57 63.81 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 113.529 -1.669 . . . . 0.0 109.981 176.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.9 -25.99 16.34 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 114.568 -1.196 . . . . 0.0 107.81 177.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 tt -77.52 -41.38 39.42 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 113.916 -1.493 . . . . 0.0 109.112 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -70.19 -29.15 65.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 112.787 -2.006 . . . . 0.0 108.522 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -83.49 -29.78 27.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 113.266 -1.788 . . . . 0.0 107.199 175.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -84.45 -14.55 48.93 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.219 -1.355 . . . . 0.0 110.694 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.19 -24.0 28.08 Favored 'General case' 0 C--O 1.222 -0.349 0 C-N-CA 124.276 1.03 . . . . 0.0 110.612 178.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.83 -18.74 25.67 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 112.617 -2.083 . . . . 0.0 105.865 177.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.89 -25.3 16.63 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 111.924 -2.398 . . . . 0.0 107.611 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -40.43 18.1 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 176.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -71.16 -27.69 63.72 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 113.554 -1.657 . . . . 0.0 108.508 175.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -82.47 -18.0 43.24 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 107.348 -1.352 . . . . 0.0 107.348 174.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -92.17 -25.17 18.82 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 113.649 -1.614 . . . . 0.0 108.058 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -87.85 -15.17 37.51 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 113.787 -1.551 . . . . 0.0 107.921 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.92 -22.09 19.43 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 176.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.37 -36.39 22.5 Favored 'General case' 0 N--CA 1.426 -1.638 0 CA-C-N 112.75 -2.023 . . . . 0.0 106.355 176.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.2 tp -76.93 -28.57 55.3 Favored 'General case' 0 C--O 1.204 -1.334 0 CA-C-N 112.025 -2.352 . . . . 0.0 108.081 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.86 -20.27 35.87 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 176.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.22 -32.33 17.48 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 112.876 -1.965 . . . . 0.0 107.944 176.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -87.39 -17.45 32.28 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.228 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 mt -58.53 -60.27 4.07 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.499 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.14 -42.13 39.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.644 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.135 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.197 -179.924 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.311 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -96.37 -51.7 4.26 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.536 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -31.53 71.91 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 113.934 -1.485 . . . . 0.0 112.399 -178.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -92.53 -11.8 33.55 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.286 0.991 . . . . 0.0 109.969 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.99 -24.36 22.41 Favored 'General case' 0 C--O 1.225 -0.185 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 175.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.64 -20.23 20.39 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 112.107 -2.315 . . . . 0.0 107.251 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.85 -19.53 22.42 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.48 -22.69 18.71 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 175.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -87.0 -21.47 26.12 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 113.162 -1.835 . . . . 0.0 106.308 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.76 -36.91 21.43 Favored 'General case' 0 N--CA 1.427 -1.593 0 CA-C-N 113.138 -1.846 . . . . 0.0 106.393 176.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -78.52 -16.78 57.09 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 112.445 -2.161 . . . . 0.0 108.386 176.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.46 -30.63 21.87 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 175.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 tt -77.21 -38.38 51.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 110.889 -2.869 . . . . 0.0 107.587 176.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -75.54 -27.79 58.8 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 113.362 -1.745 . . . . 0.0 106.831 176.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.2 -29.41 38.61 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 111.839 -2.437 . . . . 0.0 107.468 175.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 tp -77.76 -30.93 51.73 Favored 'General case' 0 CA--C 1.51 -0.564 0 O-C-N 125.211 1.569 . . . . 0.0 107.248 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -36.72 61.92 Favored 'General case' 0 N--CA 1.425 -1.681 0 CA-C-N 112.504 -2.134 . . . . 0.0 106.797 175.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -77.49 -18.92 56.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 112.241 -2.254 . . . . 0.0 109.356 175.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -84.16 -40.67 17.9 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 104.271 -2.492 . . . . 0.0 104.271 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 tt -65.29 -44.27 88.52 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 110.784 -2.917 . . . . 0.0 107.135 174.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.94 -14.08 60.99 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 113.935 -1.484 . . . . 0.0 110.807 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.87 -26.98 44.02 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.281 1.033 . . . . 0.0 109.436 178.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.84 -34.2 45.36 Favored 'General case' 0 CA--C 1.5 -0.958 0 C-N-CA 125.679 1.592 . . . . 0.0 108.802 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.26 -21.87 39.09 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 111.603 -2.544 . . . . 0.0 106.343 175.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -80.31 -26.43 38.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 112.989 -1.914 . . . . 0.0 106.928 173.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.59 -34.62 15.42 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.311 -1.313 . . . . 0.0 108.387 175.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 113.54 -1.664 . . . . 0.0 112.872 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.469 0.507 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.77 -6.17 19.84 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.3 tt -93.16 -61.93 1.48 Allowed 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.529 1.131 . . . . 0.0 108.948 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -59.91 -13.35 10.56 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.603 177.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -95.37 -37.98 10.71 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.245 1.418 . . . . 0.0 109.017 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -73.38 -14.01 61.2 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 122.168 0.985 . . . . 0.0 109.486 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 mp -93.63 -44.34 8.23 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 112.902 -1.954 . . . . 0.0 106.855 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.33 -15.28 63.5 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 113.127 -1.851 . . . . 0.0 110.056 176.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.13 -26.88 15.83 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 124.841 1.257 . . . . 0.0 107.954 177.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -80.75 -29.44 36.25 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 113.913 -1.494 . . . . 0.0 109.329 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -82.88 -30.67 28.39 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 126.513 1.925 . . . . 0.0 107.05 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -26.4 50.43 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 112.917 -1.947 . . . . 0.0 105.791 174.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -75.5 -34.51 60.83 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 113.339 -1.755 . . . . 0.0 108.59 174.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -49.25 75.79 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 123.343 1.544 . . . . 0.0 109.512 177.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.63 -29.1 1.12 Allowed 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 113.352 -1.749 . . . . 0.0 108.186 176.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.37 -31.36 10.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 112.393 -2.185 . . . . 0.0 112.999 176.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.61 -45.27 8.17 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.975 0.91 . . . . 0.0 109.528 -176.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.51 -27.82 61.58 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.698 -1.137 . . . . 0.0 108.008 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -78.22 -27.17 47.71 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -83.73 -21.77 32.18 Favored 'General case' 0 CA--C 1.509 -0.597 0 O-C-N 125.117 1.51 . . . . 0.0 108.142 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -86.47 -14.49 43.01 Favored 'General case' 0 C--N 1.34 0.195 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 175.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.3 -25.18 17.86 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 112.84 -1.982 . . . . 0.0 106.818 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -85.61 -28.79 24.57 Favored 'General case' 0 CA--C 1.494 -1.173 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 176.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.9 tp -80.84 -31.05 35.62 Favored 'General case' 0 C--O 1.207 -1.148 0 CA-C-N 111.823 -2.444 . . . . 0.0 107.989 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.22 -20.53 37.52 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 106.584 -1.635 . . . . 0.0 106.584 177.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -89.02 -31.71 17.95 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 113.056 -1.883 . . . . 0.0 108.025 176.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -86.24 -19.89 29.28 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.864 176.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.57 -60.19 4.05 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.408 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -91.3 -42.49 10.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.574 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 C-N-CA 124.379 1.071 . . . . 0.0 112.292 -179.933 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 121.002 0.43 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 tt -95.75 -61.47 1.45 Allowed 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.273 -1.33 . . . . 0.0 109.951 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -32.33 69.22 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 113.574 -1.648 . . . . 0.0 112.456 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -90.71 -17.7 26.31 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 123.974 0.796 . . . . 0.0 110.494 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.46 -22.2 32.65 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -89.78 -30.04 18.26 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 111.573 -2.558 . . . . 0.0 106.618 177.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.84 -21.98 40.32 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 113.31 -1.768 . . . . 0.0 107.886 175.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -85.18 -38.72 18.67 Favored 'General case' 0 CA--C 1.488 -1.412 0 N-CA-C 105.915 -1.883 . . . . 0.0 105.915 175.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -72.94 -20.18 61.1 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 111.814 -2.448 . . . . 0.0 108.429 176.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.15 -32.19 24.79 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 175.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -80.0 -23.35 41.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 110.936 -2.847 . . . . 0.0 108.862 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.36 -16.02 25.09 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 175.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -86.66 -25.05 25.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 111.792 -2.458 . . . . 0.0 106.17 174.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.8 -34.3 18.32 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-N 112.521 -2.127 . . . . 0.0 107.487 177.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.45 -16.67 41.75 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 112.218 -2.265 . . . . 0.0 108.163 175.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 tt -86.27 -36.07 19.57 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 104.72 -2.326 . . . . 0.0 104.72 175.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.36 -45.58 62.55 Favored 'General case' 0 N--CA 1.427 -1.608 0 CA-C-N 112.224 -2.262 . . . . 0.0 107.389 174.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -68.19 -10.88 57.64 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.104 -1.407 . . . . 0.0 108.401 175.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.65 -33.46 11.31 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 174.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.04 -56.09 3.3 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 113.207 -1.815 . . . . 0.0 111.908 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.82 -12.35 55.73 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 -176.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.07 -23.24 19.54 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.69 -38.7 62.31 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 126.243 1.817 . . . . 0.0 108.608 177.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.19 -24.29 51.43 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-N 112.684 -2.053 . . . . 0.0 107.116 176.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -83.81 -33.94 24.83 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 112.592 -2.094 . . . . 0.0 108.207 175.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.54 -34.25 65.11 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 105.609 -1.997 . . . . 0.0 105.609 174.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.451 -0.407 0 CA-C-N 112.144 -2.298 . . . . 0.0 109.385 176.444 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 . . . . . 0 N--CA 1.468 0.469 0 CA-C-O 120.563 0.22 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -105.73 -7.05 18.63 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.2 tt -96.44 -69.39 0.76 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.454 0.702 . . . . 0.0 111.035 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -63.45 -13.37 39.68 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 114.812 -1.085 . . . . 0.0 112.224 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -95.79 -40.67 9.23 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.353 1.061 . . . . 0.0 109.811 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -76.19 -12.4 60.09 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.689 0.757 . . . . 0.0 109.874 177.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -93.26 -44.58 8.25 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-N 113.472 -1.694 . . . . 0.0 106.755 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.38 -19.26 65.87 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 113.263 -1.79 . . . . 0.0 110.047 176.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.57 -26.7 17.0 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.326 -1.306 . . . . 0.0 108.44 177.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.7 -10.66 53.23 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 124.62 1.2 . . . . 0.0 109.744 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -94.9 -30.91 13.92 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.293 -1.776 . . . . 0.0 106.649 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -86.67 -29.54 22.41 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 112.456 -2.156 . . . . 0.0 107.786 176.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -88.06 -14.28 39.34 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.511 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.17 -28.8 57.46 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 125.253 1.421 . . . . 0.0 111.298 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.2 -19.21 27.18 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 126.356 1.863 . . . . 0.0 106.502 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.7 -18.73 20.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 112.581 -2.1 . . . . 0.0 107.902 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.06 -36.0 11.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 177.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -78.87 -28.32 44.13 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 113.892 -1.504 . . . . 0.0 109.084 177.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -80.34 -18.36 49.31 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 174.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -92.85 -24.71 18.39 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 113.469 -1.696 . . . . 0.0 108.536 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -88.92 -16.43 31.86 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 114.207 -1.361 . . . . 0.0 108.244 177.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.89 -21.26 19.94 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 176.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.37 -36.67 22.32 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 112.926 -1.943 . . . . 0.0 106.547 176.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 7.1 tp -77.73 -28.46 50.82 Favored 'General case' 0 C--O 1.205 -1.246 0 CA-C-N 111.991 -2.368 . . . . 0.0 108.204 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.7 -20.07 34.13 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 177.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -87.99 -31.97 19.08 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 112.908 -1.951 . . . . 0.0 107.637 176.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -87.61 -16.76 33.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.376 -1.283 . . . . 0.0 109.944 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 64.1 tp -58.92 -59.79 4.89 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.015 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -92.63 -42.43 9.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.627 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.228 0 C-N-CA 124.424 1.09 . . . . 0.0 112.155 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.295 0 CA-C-O 120.92 0.391 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tt -95.75 -59.47 1.86 Allowed 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.928 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -32.31 67.79 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 113.718 -1.583 . . . . 0.0 112.436 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -93.43 -11.41 32.22 Favored 'General case' 0 N--CA 1.466 0.325 0 O-C-N 124.189 0.931 . . . . 0.0 110.395 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.64 -22.9 23.21 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 175.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tp -91.13 -31.17 16.33 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 111.635 -2.529 . . . . 0.0 107.179 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.44 -19.34 39.16 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 113.325 -1.761 . . . . 0.0 107.345 175.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.53 -28.85 18.24 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 175.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -81.63 -19.15 42.39 Favored 'General case' 0 CA--C 1.511 -0.529 0 O-C-N 125.511 1.757 . . . . 0.0 106.885 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.0 -33.7 26.48 Favored 'General case' 0 N--CA 1.424 -1.766 0 N-CA-C 105.144 -2.169 . . . . 0.0 105.144 175.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 13.4 t-105 -80.96 -19.42 44.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 111.615 -2.539 . . . . 0.0 109.07 176.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.59 -19.98 23.1 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 175.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tt -81.93 -41.34 21.0 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 111.287 -2.688 . . . . 0.0 106.21 175.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -72.37 -28.32 62.94 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 113.5 -1.682 . . . . 0.0 107.091 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.26 -19.4 36.44 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 112.183 -2.28 . . . . 0.0 107.652 175.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 8.1 tp -85.31 -35.86 21.19 Favored 'General case' 0 C--N 1.347 0.483 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 175.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.92 -29.09 55.51 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-N 113.513 -1.676 . . . . 0.0 106.733 176.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.64 -17.64 40.83 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 112.497 -2.138 . . . . 0.0 108.776 175.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -32.36 20.06 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 104.562 -2.384 . . . . 0.0 104.562 175.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.33 -41.56 63.34 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 112.605 -2.089 . . . . 0.0 106.868 174.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.55 -12.79 60.0 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 112.109 -2.314 . . . . 0.0 110.815 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -29.3 63.22 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 124.521 1.128 . . . . 0.0 109.794 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 mp -75.93 -48.13 22.46 Favored 'General case' 0 C--O 1.203 -1.347 0 CA-C-N 113.973 -1.467 . . . . 0.0 107.366 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.94 -21.47 65.98 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 112.687 -2.051 . . . . 0.0 107.644 174.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -79.17 -27.55 42.69 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 113.519 -1.673 . . . . 0.0 106.917 173.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.07 -38.21 11.74 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 113.945 -1.48 . . . . 0.0 108.981 175.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.235 0.312 0 CA-C-N 113.335 -1.757 . . . . 0.0 114.009 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 . . . . . 0 N--CA 1.468 0.43 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.57 -7.4 28.25 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.7 mt -96.22 -68.81 0.78 Allowed 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.503 0.721 . . . . 0.0 110.951 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -56.8 -15.6 4.99 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.407 -1.27 . . . . 0.0 112.024 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -95.51 -40.68 9.33 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 124.525 1.13 . . . . 0.0 109.568 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -75.02 -12.37 60.31 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.982 0.896 . . . . 0.0 109.645 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -93.04 -46.16 7.58 Favored 'General case' 0 CA--C 1.496 -1.125 0 CA-C-N 113.093 -1.867 . . . . 0.0 106.601 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.27 -19.94 63.76 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 113.262 -1.79 . . . . 0.0 110.023 176.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.23 -26.57 17.3 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 114.313 -1.312 . . . . 0.0 108.534 177.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -88.72 -11.85 43.97 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.289 -1.323 . . . . 0.0 109.624 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -94.61 -33.55 12.96 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 126.267 1.827 . . . . 0.0 106.089 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -77.05 -30.52 55.68 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 112.581 -2.099 . . . . 0.0 106.657 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -84.35 -13.62 51.83 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 113.877 -1.51 . . . . 0.0 109.792 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -85.06 -13.28 50.91 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.733 1.213 . . . . 0.0 110.707 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -94.66 -26.52 16.29 Favored 'General case' 0 CA--C 1.491 -1.291 0 C-N-CA 126.972 2.109 . . . . 0.0 105.707 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.38 -22.52 22.54 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 109.056 -3.702 . . . . 0.0 107.896 177.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.17 -33.34 19.42 Favored 'General case' 0 C--N 1.343 0.315 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 176.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -78.17 -30.62 49.2 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 112.673 -2.058 . . . . 0.0 107.877 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -77.51 -25.58 50.43 Favored 'General case' 0 C--N 1.345 0.378 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 174.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -85.53 -21.04 28.77 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 113.841 -1.527 . . . . 0.0 108.043 176.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -86.86 -13.86 43.72 Favored 'General case' 0 C--N 1.341 0.224 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 175.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.17 -24.32 18.27 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 112.742 -2.026 . . . . 0.0 106.602 176.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -85.22 -29.83 24.36 Favored 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 175.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 tp -80.77 -29.39 36.17 Favored 'General case' 0 C--O 1.208 -1.131 0 CA-C-N 111.787 -2.46 . . . . 0.0 107.921 175.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.1 -20.42 38.14 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 176.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -88.99 -32.42 17.64 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 112.847 -1.979 . . . . 0.0 107.975 176.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -87.15 -17.18 33.34 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.969 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.48 -60.03 4.12 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.187 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -86.77 -42.01 13.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.564 -1.198 . . . . 0.0 111.637 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.267 0 C-N-CA 124.368 1.067 . . . . 0.0 112.301 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.159 0 CA-C-O 121.815 0.817 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -95.05 -53.1 3.94 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 113.068 -1.878 . . . . 0.0 108.386 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -31.85 61.96 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 113.332 -1.758 . . . . 0.0 111.535 179.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -93.85 -12.22 29.44 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.589 1.18 . . . . 0.0 110.348 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -22.5 21.84 Favored 'General case' 0 C--N 1.339 0.127 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.79 -31.2 15.84 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 111.773 -2.467 . . . . 0.0 107.121 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.21 -20.31 38.01 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 113.337 -1.756 . . . . 0.0 107.523 175.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -29.04 18.72 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 176.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -81.14 -19.93 42.43 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 125.467 1.729 . . . . 0.0 106.849 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.75 -34.43 27.15 Favored 'General case' 0 N--CA 1.422 -1.863 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 175.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -79.37 -19.17 50.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 111.699 -2.5 . . . . 0.0 108.86 176.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.63 -19.11 24.03 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 174.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.93 -31.95 23.36 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 111.221 -2.718 . . . . 0.0 107.01 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -82.59 -26.78 31.99 Favored 'General case' 0 CA--C 1.489 -1.367 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.53 -16.96 40.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 111.803 -2.453 . . . . 0.0 106.801 174.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.57 -27.41 20.26 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 174.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.43 -29.63 27.92 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 175.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.27 -19.61 36.0 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 112.241 -2.254 . . . . 0.0 109.263 175.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -30.4 20.61 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 104.044 -2.576 . . . . 0.0 104.044 175.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -46.89 51.1 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-N 112.49 -2.141 . . . . 0.0 106.191 174.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.62 -12.85 61.36 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 112.552 -2.113 . . . . 0.0 110.5 177.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.47 -25.17 29.1 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 124.711 1.204 . . . . 0.0 109.417 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 tt -86.05 -45.69 11.18 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 126.185 1.794 . . . . 0.0 107.314 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.0 -21.01 64.17 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 125.277 1.61 . . . . 0.0 107.055 174.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -75.77 -27.22 57.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 113.182 -1.826 . . . . 0.0 106.753 173.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.73 -38.46 10.78 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 113.525 -1.671 . . . . 0.0 109.093 175.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 113.624 -1.626 . . . . 0.0 113.848 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 . . . . . 0 N--CA 1.469 0.478 0 CA-C-O 120.538 0.209 . . . . 0.0 111.482 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.94 -7.06 34.14 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.887 0.475 . . . . 0.0 111.918 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -95.83 -68.22 0.81 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.073 0.949 . . . . 0.0 111.206 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -59.84 -13.76 12.05 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 114.581 -1.191 . . . . 0.0 112.208 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -94.77 -37.95 11.01 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.379 1.072 . . . . 0.0 108.674 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -76.61 -12.1 59.96 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 122.096 0.95 . . . . 0.0 109.109 175.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 tt -93.16 -44.64 8.26 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 126.859 2.064 . . . . 0.0 106.71 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.1 -19.28 65.61 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 113.405 -1.725 . . . . 0.0 109.993 176.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.19 -25.89 18.46 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.456 -1.247 . . . . 0.0 108.37 177.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -85.53 -14.79 44.82 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.608 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -94.99 -29.28 14.71 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 126.177 1.791 . . . . 0.0 106.314 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -32.57 30.0 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 112.464 -2.153 . . . . 0.0 106.965 175.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -82.24 -14.24 55.81 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 114.229 -1.35 . . . . 0.0 109.647 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 3.0 tt -83.89 -38.55 20.98 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 125.04 1.336 . . . . 0.0 109.359 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -16.85 56.36 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 112.445 -2.161 . . . . 0.0 107.439 176.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.14 -22.86 18.2 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 112.756 -2.02 . . . . 0.0 107.409 177.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.78 -39.64 16.9 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 175.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -71.74 -29.72 64.82 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 112.939 -1.937 . . . . 0.0 108.875 176.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -82.19 -16.94 47.96 Favored 'General case' 0 C--N 1.345 0.405 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 174.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.4 -22.95 19.36 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 113.677 -1.601 . . . . 0.0 107.44 176.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -90.08 -15.16 32.26 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 113.781 -1.554 . . . . 0.0 107.616 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.89 -21.97 19.53 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 176.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -36.14 23.46 Favored 'General case' 0 N--CA 1.427 -1.595 0 CA-C-N 112.672 -2.058 . . . . 0.0 106.257 176.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 11.8 tp -77.36 -28.17 52.87 Favored 'General case' 0 C--O 1.205 -1.261 0 CA-C-N 111.91 -2.405 . . . . 0.0 108.037 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.61 -20.55 36.19 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 176.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -89.27 -32.54 17.33 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 112.794 -2.003 . . . . 0.0 108.027 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -86.7 -18.38 31.37 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.961 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mt -56.59 -60.0 4.17 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.577 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -82.54 -41.24 19.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.515 -1.22 . . . . 0.0 112.091 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.087 -0.959 . . . . 0.0 111.327 -179.866 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 120.985 0.422 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 tt -95.78 -62.32 1.31 Allowed 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 114.253 -1.339 . . . . 0.0 109.969 -179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -31.5 68.58 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 113.693 -1.594 . . . . 0.0 112.494 -179.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -91.76 -12.0 35.11 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 124.09 0.869 . . . . 0.0 110.375 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.16 -21.11 23.48 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 105.906 -1.886 . . . . 0.0 105.906 175.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -90.2 -36.4 14.8 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 111.267 -2.697 . . . . 0.0 106.686 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.89 -19.23 52.41 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 113.215 -1.811 . . . . 0.0 107.899 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.72 -29.58 18.64 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 175.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -81.56 -18.45 44.87 Favored 'General case' 0 CA--C 1.512 -0.491 0 O-C-N 125.53 1.769 . . . . 0.0 107.208 176.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.76 -31.5 23.94 Favored 'General case' 0 N--CA 1.428 -1.549 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 175.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 -80.68 -22.71 40.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 110.84 -2.891 . . . . 0.0 108.681 176.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -93.16 -17.33 23.87 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 175.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.88 -24.85 26.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 111.646 -2.524 . . . . 0.0 106.379 175.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.78 -34.78 19.48 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 112.537 -2.12 . . . . 0.0 107.036 177.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.55 -17.49 44.75 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 112.048 -2.342 . . . . 0.0 108.077 175.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 tt -86.16 -35.56 20.06 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 175.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -38.92 72.72 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 111.867 -2.424 . . . . 0.0 107.867 175.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -79.25 -16.18 56.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 112.409 -2.178 . . . . 0.0 109.133 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.49 -32.55 19.39 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 104.419 -2.437 . . . . 0.0 104.419 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.06 -42.1 60.73 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 112.589 -2.096 . . . . 0.0 107.015 174.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.81 -12.69 60.22 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 112.159 -2.291 . . . . 0.0 110.648 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.27 -27.6 59.46 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.605 1.162 . . . . 0.0 109.819 178.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.1 -38.39 44.2 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 113.831 -1.531 . . . . 0.0 108.155 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.12 -20.16 49.32 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 111.587 -2.551 . . . . 0.0 106.927 175.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -79.56 -25.57 41.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 113.285 -1.78 . . . . 0.0 106.436 173.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.81 -37.81 12.11 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 113.653 -1.612 . . . . 0.0 108.814 175.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 113.542 -1.663 . . . . 0.0 113.917 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 . . . . . 0 N--CA 1.469 0.489 0 CA-C-O 120.721 0.296 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.38 -21.1 13.18 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 tt -97.52 -70.24 0.73 Allowed 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.141 0.577 . . . . 0.0 112.097 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -65.65 -14.8 61.93 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 114.679 -1.146 . . . . 0.0 112.104 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -95.65 -37.62 10.74 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.191 0.996 . . . . 0.0 110.232 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -75.25 -12.57 60.31 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 122.127 0.965 . . . . 0.0 109.408 176.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -93.56 -43.56 8.64 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 112.885 -1.961 . . . . 0.0 106.761 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.57 -15.64 63.26 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 113.224 -1.807 . . . . 0.0 110.295 176.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.2 -25.2 16.48 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 177.29 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 tt -77.4 -43.35 32.97 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 113.686 -1.597 . . . . 0.0 108.72 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -70.92 -31.96 68.74 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 112.635 -2.075 . . . . 0.0 108.297 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -74.96 -33.0 61.85 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -82.29 -15.17 53.93 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 113.45 -1.705 . . . . 0.0 110.111 176.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.47 -17.11 27.71 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 124.704 1.201 . . . . 0.0 109.472 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.52 -20.61 18.25 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 105.99 -1.856 . . . . 0.0 105.99 178.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.95 -26.87 15.94 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 112.234 -2.257 . . . . 0.0 108.472 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.15 -40.95 14.14 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 176.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -68.41 -28.91 67.5 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.099 -1.409 . . . . 0.0 108.74 174.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -81.52 -18.62 44.41 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -90.85 -24.18 20.34 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 113.713 -1.585 . . . . 0.0 107.777 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -87.99 -15.77 35.55 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 113.766 -1.561 . . . . 0.0 107.647 176.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.99 -21.97 19.45 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.46 -35.79 22.76 Favored 'General case' 0 N--CA 1.427 -1.605 0 CA-C-N 112.803 -1.998 . . . . 0.0 106.411 176.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 tp -76.49 -29.49 56.86 Favored 'General case' 0 C--O 1.206 -1.228 0 CA-C-N 111.878 -2.419 . . . . 0.0 108.002 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.25 -19.77 35.78 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 176.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -87.83 -31.23 19.66 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 112.778 -2.01 . . . . 0.0 107.468 176.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -87.28 -18.33 30.45 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.122 -1.399 . . . . 0.0 109.849 176.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 9.6 tt -63.63 -60.13 3.72 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.994 178.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -86.91 -43.21 12.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.874 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.216 0 C-N-CA 124.438 1.095 . . . . 0.0 112.266 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.301 0 CA-C-O 121.126 0.488 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -92.08 -35.61 13.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.213 -1.358 . . . . 0.0 107.481 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.39 -23.58 40.33 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 113.129 -1.851 . . . . 0.0 107.914 176.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -85.14 -27.49 26.17 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 113.271 -1.786 . . . . 0.0 109.863 177.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -22.5 38.02 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -88.55 -27.0 21.69 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 111.772 -2.467 . . . . 0.0 106.309 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.35 -21.85 30.76 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 125.271 1.607 . . . . 0.0 107.715 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -82.4 -36.09 27.05 Favored 'General case' 0 CA--C 1.487 -1.456 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 174.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -75.91 -21.91 56.62 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 111.119 -2.764 . . . . 0.0 108.372 176.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -83.23 -29.7 28.27 Favored 'General case' 0 CA--C 1.489 -1.391 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 174.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -80.7 -21.33 41.35 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 111.374 -2.648 . . . . 0.0 108.789 176.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.76 -18.05 25.62 Favored 'General case' 0 CA--C 1.494 -1.177 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 174.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -84.03 -34.01 24.36 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 111.279 -2.691 . . . . 0.0 106.595 175.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -82.44 -28.2 31.47 Favored 'General case' 0 CA--C 1.49 -1.334 0 CA-C-N 113.392 -1.731 . . . . 0.0 106.786 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.95 -17.93 38.97 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 112.099 -2.319 . . . . 0.0 107.38 175.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 44.2 tp -84.78 -37.77 20.4 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 113.75 -1.568 . . . . 0.0 107.472 175.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.3 -26.31 42.29 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 112.625 -2.08 . . . . 0.0 107.413 175.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.08 -15.53 53.15 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 113.241 -1.8 . . . . 0.0 107.62 175.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.7 -30.19 12.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 113.097 -1.865 . . . . 0.0 107.571 175.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.31 -46.53 7.99 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 113.7 -1.591 . . . . 0.0 112.553 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.06 -12.61 32.64 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -176.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -94.16 -42.68 8.85 Favored 'General case' 0 C--O 1.207 -1.158 0 CA-C-O 121.447 0.641 . . . . 0.0 109.67 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -26.71 67.41 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 112.556 -2.111 . . . . 0.0 110.017 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.92 -33.63 39.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 112.225 -2.261 . . . . 0.0 106.972 176.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -79.59 -32.35 41.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 111.733 -2.485 . . . . 0.0 108.871 176.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.58 -30.85 57.19 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 175.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 N--CA 1.452 -0.332 0 CA-C-N 112.272 -2.24 . . . . 0.0 108.721 175.888 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 . . . . . 0 N--CA 1.469 0.504 0 CA-C-O 120.707 0.289 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.47 -5.93 58.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.799 0.84 . . . . 0.0 111.759 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.4 tt -93.53 -60.05 1.86 Allowed 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.921 1.289 . . . . 0.0 109.453 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.59 -13.41 31.03 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.042 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -95.06 -37.47 11.09 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 124.877 1.271 . . . . 0.0 108.602 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -75.43 -12.58 60.28 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 122.074 0.94 . . . . 0.0 109.279 176.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 tt -93.28 -45.93 7.61 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 126.743 2.017 . . . . 0.0 106.491 178.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.61 -16.32 64.11 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 113.553 -1.658 . . . . 0.0 110.054 176.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.5 -27.27 16.07 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 114.453 -1.248 . . . . 0.0 108.389 177.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -85.16 -13.07 51.26 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 124.646 1.216 . . . . 0.0 109.585 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -95.11 -31.55 13.5 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 113.065 -1.88 . . . . 0.0 106.874 178.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.77 -29.46 25.43 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 112.587 -2.097 . . . . 0.0 107.659 176.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -85.66 -16.36 39.38 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.743 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -20.23 63.31 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 122.673 1.225 . . . . 0.0 110.823 178.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.05 -19.5 20.8 Favored 'General case' 0 C--N 1.284 -2.266 0 CA-C-N 112.207 -2.269 . . . . 0.0 106.395 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.26 -27.87 13.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 112.761 -2.018 . . . . 0.0 110.788 177.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.12 -40.29 9.69 Favored 'General case' 0 N--CA 1.445 -0.706 0 O-C-N 124.283 0.989 . . . . 0.0 108.933 -179.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -80.05 -21.89 42.95 Favored 'General case' 0 CA--C 1.51 -0.582 0 O-C-N 124.544 1.152 . . . . 0.0 109.215 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -83.35 -17.83 41.01 Favored 'General case' 0 C--N 1.349 0.546 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 173.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -92.22 -24.14 19.13 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-N 113.461 -1.699 . . . . 0.0 108.217 176.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -89.63 -16.24 30.97 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.125 -1.398 . . . . 0.0 107.98 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.97 -21.42 19.79 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 106.02 -1.844 . . . . 0.0 106.02 176.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.73 -36.24 23.81 Favored 'General case' 0 N--CA 1.426 -1.63 0 CA-C-N 112.937 -1.938 . . . . 0.0 106.501 175.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 12.4 tp -76.36 -29.99 57.41 Favored 'General case' 0 C--O 1.205 -1.273 0 CA-C-N 111.812 -2.449 . . . . 0.0 108.017 176.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.31 -19.91 35.36 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 177.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -87.91 -31.4 19.47 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 113.045 -1.889 . . . . 0.0 107.51 176.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -87.5 -16.45 34.69 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.348 -1.296 . . . . 0.0 110.011 176.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.1 -60.46 2.79 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.208 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -87.5 -43.48 12.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.691 -1.141 . . . . 0.0 111.893 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.209 0 C-N-CA 124.351 1.061 . . . . 0.0 112.292 -179.794 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.277 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -96.2 -52.71 3.9 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.583 -178.562 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -31.41 71.99 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 113.949 -1.478 . . . . 0.0 112.203 -178.872 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -91.67 -11.65 36.37 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 124.185 0.928 . . . . 0.0 110.269 178.438 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -22.14 23.53 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 175.015 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 tt -87.87 -40.73 13.75 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 111.228 -2.714 . . . . 0.0 106.319 177.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.47 -17.13 59.47 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 125.412 1.695 . . . . 0.0 107.978 176.347 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -28.78 23.34 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 174.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -83.59 -19.06 36.22 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 112.987 -1.915 . . . . 0.0 107.753 177.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -89.45 -21.66 22.89 Favored 'General case' 0 CA--C 1.493 -1.219 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 175.227 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -88.37 -24.08 23.2 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 110.982 -2.826 . . . . 0.0 108.948 176.383 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -92.04 -18.98 22.85 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 176.066 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tt -81.38 -36.48 29.54 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-N 111.723 -2.489 . . . . 0.0 106.087 175.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.89 -35.82 62.27 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 112.174 -2.285 . . . . 0.0 107.982 176.069 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.55 -17.41 48.5 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 112.319 -2.219 . . . . 0.0 108.368 176.101 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 tt -84.44 -35.77 22.81 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 105.238 -2.134 . . . . 0.0 105.238 174.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.71 -38.96 67.33 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 112.118 -2.31 . . . . 0.0 108.267 176.16 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -78.99 -16.06 57.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 112.761 -2.018 . . . . 0.0 108.935 176.308 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -31.36 18.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 104.429 -2.434 . . . . 0.0 104.429 174.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 tt -75.63 -41.46 54.15 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 112.373 -2.194 . . . . 0.0 106.608 175.111 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.05 -12.23 59.91 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 113.25 -1.796 . . . . 0.0 110.529 177.186 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.61 -29.16 59.12 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 124.714 1.206 . . . . 0.0 109.668 178.489 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 tt -77.58 -45.82 24.09 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-N 113.855 -1.521 . . . . 0.0 107.1 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.3 -20.41 63.02 Favored 'General case' 0 C--O 1.219 -0.536 0 O-C-N 125.682 1.864 . . . . 0.0 107.283 175.072 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -79.35 -25.83 42.19 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 113.391 -1.732 . . . . 0.0 106.788 173.327 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.96 -35.77 11.86 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 113.799 -1.546 . . . . 0.0 108.994 175.637 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 113.651 -1.613 . . . . 0.0 113.387 -179.36 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 . . . . . 0 N--CA 1.472 0.675 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.39 -6.29 22.07 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.393 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 tt -94.85 -67.87 0.83 Allowed 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.233 1.013 . . . . 0.0 110.223 -178.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -59.24 -12.98 6.22 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.538 178.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -95.76 -40.56 9.29 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.743 1.217 . . . . 0.0 109.425 179.045 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -74.77 -12.5 60.42 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 121.849 0.833 . . . . 0.0 109.702 177.217 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.03 -44.03 8.61 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 113.192 -1.822 . . . . 0.0 107.036 178.292 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.82 -17.02 64.38 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 113.013 -1.903 . . . . 0.0 109.889 176.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.08 -26.26 16.11 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 114.451 -1.25 . . . . 0.0 107.901 177.331 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 42.5 tp -74.69 -39.82 61.74 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 114.099 -1.41 . . . . 0.0 110.491 178.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -75.09 -31.47 61.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 112.717 -2.038 . . . . 0.0 107.916 177.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -30.88 57.26 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 113.271 -1.786 . . . . 0.0 106.197 175.153 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -84.71 -14.43 48.42 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 113.542 -1.663 . . . . 0.0 109.951 175.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -89.42 -17.27 29.08 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.119 0.967 . . . . 0.0 109.993 178.653 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -21.0 18.39 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 178.733 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.8 -20.86 19.12 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 111.79 -2.459 . . . . 0.0 107.108 177.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.0 -36.32 19.84 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 175.909 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -76.45 -31.7 57.99 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 112.973 -1.921 . . . . 0.0 107.862 176.565 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -78.26 -25.61 46.88 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 174.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.73 -19.25 31.1 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 124.983 1.427 . . . . 0.0 107.955 176.657 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -86.43 -14.88 41.97 Favored 'General case' 0 C--N 1.343 0.318 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 174.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.33 -25.05 17.9 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 112.509 -2.132 . . . . 0.0 106.838 176.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -86.28 -28.84 23.51 Favored 'General case' 0 CA--C 1.497 -1.078 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 175.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.0 tp -79.34 -32.03 43.19 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-N 111.967 -2.379 . . . . 0.0 107.765 176.012 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.95 -20.29 38.92 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 177.025 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -86.56 -31.28 21.31 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 112.978 -1.919 . . . . 0.0 107.355 176.017 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -86.52 -17.51 33.93 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.254 -1.339 . . . . 0.0 109.903 176.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 8.4 tt -70.03 -60.11 2.49 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.568 178.439 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -79.13 -53.45 6.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.015 179.377 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.186 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.375 179.843 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 120.942 0.401 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tt -95.68 -60.26 1.69 Allowed 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 125.047 1.339 . . . . 0.0 109.571 -179.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -32.5 65.31 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 113.515 -1.675 . . . . 0.0 112.527 -179.253 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -94.38 -11.31 30.17 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.247 0.967 . . . . 0.0 110.486 179.248 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.21 -22.71 22.63 Favored 'General case' 0 N--CA 1.461 0.116 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 175.634 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tp -91.29 -31.53 16.07 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 111.82 -2.445 . . . . 0.0 107.287 177.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.52 -19.96 37.66 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 113.39 -1.732 . . . . 0.0 107.505 176.099 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.37 -28.78 18.46 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 176.018 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -81.15 -19.75 42.79 Favored 'General case' 0 CA--C 1.51 -0.587 0 O-C-N 125.415 1.697 . . . . 0.0 106.831 176.534 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.83 -34.92 26.77 Favored 'General case' 0 N--CA 1.421 -1.901 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 175.419 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -79.92 -18.38 50.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 111.595 -2.548 . . . . 0.0 108.903 176.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -91.92 -17.85 24.6 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 105.545 -2.02 . . . . 0.0 105.545 174.668 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -84.91 -33.18 22.79 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 111.084 -2.78 . . . . 0.0 106.547 175.36 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -83.87 -27.47 28.64 Favored 'General case' 0 CA--C 1.492 -1.259 0 CA-C-N 113.585 -1.643 . . . . 0.0 106.823 177.102 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.83 -16.45 41.31 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 112.207 -2.269 . . . . 0.0 107.482 175.519 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 tt -85.9 -37.83 18.69 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 175.014 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.95 -31.52 59.1 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 113.105 -1.862 . . . . 0.0 107.548 176.085 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.18 -18.35 43.01 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 112.849 -1.978 . . . . 0.0 108.837 176.111 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.13 -31.65 20.3 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 104.408 -2.442 . . . . 0.0 104.408 175.391 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 tt -73.34 -42.85 61.77 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 112.567 -2.106 . . . . 0.0 106.115 174.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.01 -14.45 61.43 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 113.538 -1.665 . . . . 0.0 110.474 177.147 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.41 -26.83 41.83 Favored 'General case' 0 C--O 1.213 -0.836 0 C-N-CA 124.615 1.166 . . . . 0.0 109.909 178.715 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.45 -24.69 36.66 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 125.644 1.578 . . . . 0.0 109.706 179.798 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.15 -24.54 22.17 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 111.098 -2.774 . . . . 0.0 106.226 177.138 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -83.07 -35.14 25.94 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 112.34 -2.209 . . . . 0.0 107.922 175.089 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.42 -34.42 63.25 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 175.654 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-N 112.53 -2.123 . . . . 0.0 110.243 176.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.78 -6.53 22.49 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.644 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.3 tt -94.34 -66.1 0.94 Allowed 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.67 1.188 . . . . 0.0 109.743 -178.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -57.81 -14.75 6.48 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 114.799 -1.092 . . . . 0.0 111.3 178.559 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -95.44 -38.04 10.64 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 124.986 1.314 . . . . 0.0 109.395 178.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -75.4 -12.75 60.32 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 122.126 0.965 . . . . 0.0 109.61 176.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -93.29 -44.05 8.5 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 112.895 -1.957 . . . . 0.0 106.74 178.277 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.37 -15.46 63.32 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 113.065 -1.879 . . . . 0.0 110.15 176.402 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.03 -25.83 16.32 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 177.316 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 34.6 tp -77.37 -37.22 52.65 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 113.707 -1.588 . . . . 0.0 109.97 178.307 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -76.74 -30.77 56.73 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 112.375 -2.193 . . . . 0.0 108.16 177.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -79.54 -30.65 41.83 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 113.311 -1.768 . . . . 0.0 106.671 175.401 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -84.71 -14.91 46.97 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 113.748 -1.569 . . . . 0.0 109.898 175.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 tt -84.2 -37.86 21.31 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 124.532 1.133 . . . . 0.0 109.259 178.468 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.35 -18.95 58.64 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 112.741 -2.027 . . . . 0.0 107.427 176.495 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.51 -19.89 20.13 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 112.591 -2.095 . . . . 0.0 106.868 177.301 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.03 -39.91 17.47 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 176.212 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -75.78 -29.18 58.69 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 113.024 -1.898 . . . . 0.0 108.511 177.174 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -82.4 -16.58 48.55 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 174.179 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.48 -23.01 19.26 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 113.626 -1.624 . . . . 0.0 107.515 176.166 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -90.01 -15.64 31.45 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 113.791 -1.55 . . . . 0.0 107.723 176.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.92 -21.98 19.5 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 176.272 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -36.36 22.82 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 112.655 -2.066 . . . . 0.0 106.277 176.255 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 12.0 tp -76.9 -28.17 55.24 Favored 'General case' 0 C--O 1.202 -1.402 0 CA-C-N 111.973 -2.376 . . . . 0.0 108.084 176.074 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.72 -20.47 35.97 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 176.746 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -89.24 -32.74 17.26 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 112.9 -1.955 . . . . 0.0 108.098 176.555 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -88.03 -16.16 34.39 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.251 177.085 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mt -57.14 -59.97 4.31 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.437 178.582 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -82.3 -41.54 19.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.007 179.442 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.313 -179.917 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.276 0 CA-C-O 121.072 0.463 . . . . 0.0 112.21 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -96.06 -50.96 4.63 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.268 -1.333 . . . . 0.0 110.03 -178.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -31.45 72.67 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 113.719 -1.582 . . . . 0.0 111.952 -179.146 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -93.63 -10.9 33.01 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.407 1.067 . . . . 0.0 110.211 178.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.86 -23.3 22.82 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 175.728 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tp -91.12 -31.4 16.24 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 111.73 -2.486 . . . . 0.0 107.055 177.771 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.54 -19.19 39.11 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 113.439 -1.71 . . . . 0.0 107.382 175.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.33 -29.57 19.05 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 175.898 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -81.28 -19.21 43.48 Favored 'General case' 0 CA--C 1.512 -0.489 0 O-C-N 125.427 1.704 . . . . 0.0 107.056 176.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.88 -32.2 23.31 Favored 'General case' 0 N--CA 1.427 -1.603 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 175.561 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -79.6 -22.72 43.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 111.081 -2.781 . . . . 0.0 108.644 176.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -91.86 -18.36 23.91 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 175.551 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.32 -24.66 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 111.72 -2.491 . . . . 0.0 106.795 175.561 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.17 -33.44 20.82 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-N 112.59 -2.095 . . . . 0.0 106.385 176.862 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.96 -16.95 45.3 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 111.66 -2.518 . . . . 0.0 107.918 175.25 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -88.59 -25.63 22.37 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 174.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.17 -37.74 25.69 Favored 'General case' 0 N--CA 1.427 -1.575 0 CA-C-N 112.548 -2.115 . . . . 0.0 107.204 176.554 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -79.17 -16.56 56.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 112.356 -2.202 . . . . 0.0 109.109 176.236 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -30.27 19.2 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 104.393 -2.447 . . . . 0.0 104.393 175.016 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 tt -76.72 -40.74 47.65 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 112.452 -2.158 . . . . 0.0 106.491 174.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.7 -12.23 59.95 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 113.219 -1.81 . . . . 0.0 110.342 177.424 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.02 -31.71 66.45 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 124.683 1.193 . . . . 0.0 109.516 178.312 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 tt -72.95 -51.7 17.41 Favored 'General case' 0 C--O 1.213 -0.834 0 C-N-CA 126.065 1.746 . . . . 0.0 107.462 179.488 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.45 -21.05 66.19 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 112.164 -2.289 . . . . 0.0 107.792 174.411 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -82.11 -26.25 33.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 113.619 -1.628 . . . . 0.0 107.411 173.736 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.26 -40.59 12.06 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 114.077 -1.42 . . . . 0.0 108.823 175.725 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 CA--C 1.514 -0.433 0 CA-C-N 113.784 -1.553 . . . . 0.0 114.267 -178.822 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.01 -7.56 16.12 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -179.386 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.7 tt -96.81 -69.64 0.75 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 123.873 0.869 . . . . 0.0 110.689 -179.557 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.8 -13.73 26.53 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 114.518 -1.219 . . . . 0.0 112.253 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -95.85 -40.3 9.39 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 124.391 1.077 . . . . 0.0 109.681 179.124 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -76.58 -12.47 60.02 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.834 0.826 . . . . 0.0 109.976 177.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.42 -43.08 8.93 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 113.433 -1.712 . . . . 0.0 106.604 178.009 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.1 -19.27 65.79 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 113.03 -1.896 . . . . 0.0 109.808 175.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.73 -24.85 17.68 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 114.273 -1.331 . . . . 0.0 108.24 177.699 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -85.76 -11.0 54.66 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.368 178.244 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -95.62 -31.84 13.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 112.776 -2.011 . . . . 0.0 106.539 178.738 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -29.68 23.68 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 112.518 -2.128 . . . . 0.0 107.492 176.38 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -81.68 -14.15 56.96 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.256 176.002 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 tp -82.49 -30.35 29.94 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 124.87 1.268 . . . . 0.0 110.298 178.118 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -18.72 35.46 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 127.103 2.161 . . . . 0.0 106.629 177.352 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.84 -18.71 20.94 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 112.265 -2.243 . . . . 0.0 106.422 176.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.04 -40.34 13.92 Favored 'General case' 0 C--N 1.346 0.414 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 175.882 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -75.09 -27.54 59.93 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 113.299 -1.773 . . . . 0.0 108.618 177.049 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -82.77 -17.29 44.71 Favored 'General case' 0 C--N 1.346 0.416 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 174.211 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.3 -22.93 19.46 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 113.37 -1.741 . . . . 0.0 107.526 176.255 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -90.83 -14.55 31.63 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 113.766 -1.561 . . . . 0.0 107.574 176.566 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.07 -21.84 19.48 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 105.839 -1.912 . . . . 0.0 105.839 175.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -36.03 23.05 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 112.619 -2.082 . . . . 0.0 106.42 176.186 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 tp -78.0 -27.75 49.08 Favored 'General case' 0 C--O 1.205 -1.255 0 CA-C-N 111.87 -2.423 . . . . 0.0 108.035 176.166 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.74 -20.57 35.71 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 176.701 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -89.31 -32.39 17.37 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 112.723 -2.035 . . . . 0.0 107.963 176.59 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -86.38 -18.78 30.92 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.891 177.061 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 mt -56.33 -59.83 4.39 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.4 178.591 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -81.71 -41.4 21.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.457 -1.247 . . . . 0.0 112.012 179.468 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.033 -0.984 . . . . 0.0 111.243 -179.949 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.28 0 CA-C-O 121.863 0.84 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -94.21 -38.77 10.88 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 113.167 -1.833 . . . . 0.0 109.093 -178.512 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -27.2 65.69 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 113.855 -1.52 . . . . 0.0 109.752 178.724 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -91.26 -15.43 29.2 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 113.83 -1.532 . . . . 0.0 109.634 177.348 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.14 -20.16 24.61 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 176.367 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tt -90.06 -36.32 14.97 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 111.586 -2.552 . . . . 0.0 106.314 177.577 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.37 -19.66 52.9 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 112.954 -1.93 . . . . 0.0 107.818 176.082 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.41 -29.19 19.23 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 175.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -81.29 -19.29 43.28 Favored 'General case' 0 CA--C 1.512 -0.488 0 O-C-N 125.511 1.757 . . . . 0.0 106.991 176.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.23 -31.96 22.88 Favored 'General case' 0 N--CA 1.427 -1.576 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 175.724 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -79.69 -23.21 42.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 111.043 -2.799 . . . . 0.0 108.677 176.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -92.21 -18.22 23.76 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 175.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.35 -24.17 25.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 111.644 -2.525 . . . . 0.0 106.792 175.471 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.21 -33.79 20.66 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 112.639 -2.073 . . . . 0.0 106.51 176.858 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.9 -17.38 43.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 111.687 -2.506 . . . . 0.0 107.746 175.392 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -88.28 -26.33 22.35 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 175.008 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.35 -38.0 27.38 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-N 112.638 -2.074 . . . . 0.0 107.391 176.656 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.47 -17.29 56.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 112.487 -2.142 . . . . 0.0 109.141 176.476 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.19 -29.97 18.9 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 104.587 -2.375 . . . . 0.0 104.587 175.245 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 tt -77.05 -40.94 44.45 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 112.539 -2.119 . . . . 0.0 106.644 174.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.54 -12.66 60.06 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 113.175 -1.83 . . . . 0.0 110.37 177.296 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.47 -26.64 61.89 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 124.834 1.254 . . . . 0.0 109.987 178.45 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 4.3 mp -80.64 -46.22 15.98 Favored 'General case' 0 CA--C 1.493 -1.219 0 CA-C-N 113.857 -1.52 . . . . 0.0 107.25 179.495 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.32 -21.94 64.73 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 112.601 -2.09 . . . . 0.0 107.293 174.482 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -76.6 -26.38 54.93 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 113.514 -1.676 . . . . 0.0 106.691 173.099 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.05 -38.7 10.52 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 113.706 -1.588 . . . . 0.0 109.105 175.782 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.235 0.324 0 CA-C-N 113.563 -1.653 . . . . 0.0 114.107 -178.591 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.95 -6.37 6.01 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.1 -65.71 0.97 Allowed 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 124.28 1.032 . . . . 0.0 108.836 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -55.85 -14.93 2.69 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 113.722 -1.581 . . . . 0.0 111.268 177.605 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -95.64 -39.55 9.85 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.0 1.32 . . . . 0.0 108.899 178.559 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -75.05 -12.97 60.44 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.44 177.095 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.05 -43.76 8.74 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 113.104 -1.862 . . . . 0.0 106.98 178.103 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.17 -18.67 65.49 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 113.121 -1.854 . . . . 0.0 109.649 175.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.07 -25.78 16.32 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 114.146 -1.388 . . . . 0.0 108.1 177.51 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -85.74 -10.69 55.18 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 114.204 -1.362 . . . . 0.0 109.344 178.651 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -94.44 -29.38 14.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 113.1 -1.864 . . . . 0.0 106.269 178.734 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -84.85 -28.81 25.79 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 112.516 -2.129 . . . . 0.0 106.589 175.255 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -86.36 -13.68 45.72 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 114.106 -1.407 . . . . 0.0 109.65 175.817 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 35.6 tp -81.02 -35.39 31.96 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.929 1.291 . . . . 0.0 111.089 179.09 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -18.6 42.53 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 111.579 -2.555 . . . . 0.0 106.894 177.414 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.73 -18.65 21.08 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 112.386 -2.188 . . . . 0.0 106.328 177.074 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.12 -38.97 14.94 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 112.663 -2.062 . . . . 0.0 105.519 175.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -75.58 -28.46 58.96 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 112.729 -2.032 . . . . 0.0 108.726 177.197 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -82.75 -16.53 47.6 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 174.06 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -92.21 -23.68 19.28 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 113.552 -1.658 . . . . 0.0 107.704 176.086 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -89.53 -15.71 32.34 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 113.741 -1.572 . . . . 0.0 107.619 176.607 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.99 -21.94 19.47 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 176.274 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.9 -36.38 23.38 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 112.762 -2.017 . . . . 0.0 106.396 176.133 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 7.9 tp -76.64 -28.79 56.19 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 111.924 -2.398 . . . . 0.0 108.094 176.185 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.81 -20.44 35.73 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 176.828 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -89.16 -33.2 17.13 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 112.875 -1.966 . . . . 0.0 107.892 176.611 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -85.25 -17.07 38.1 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.695 176.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.93 -59.54 4.9 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.164 178.056 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -82.2 -41.48 20.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.48 -1.236 . . . . 0.0 112.024 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.386 -179.871 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.282 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -96.45 -54.09 3.38 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.449 -1.25 . . . . 0.0 110.281 -178.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -32.25 73.71 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 113.672 -1.604 . . . . 0.0 112.558 -178.858 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -92.64 -11.21 34.78 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 124.278 0.986 . . . . 0.0 110.126 178.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.57 -22.06 22.56 Favored 'General case' 0 C--O 1.226 -0.139 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 175.506 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.15 -28.98 16.74 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 111.893 -2.412 . . . . 0.0 106.912 177.743 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.61 -20.2 31.78 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 113.368 -1.742 . . . . 0.0 107.412 176.414 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -29.91 17.96 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 106.144 -1.798 . . . . 0.0 106.144 175.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -81.18 -19.89 42.38 Favored 'General case' 0 CA--C 1.509 -0.621 0 O-C-N 125.459 1.724 . . . . 0.0 106.914 176.733 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.35 -34.81 28.32 Favored 'General case' 0 N--CA 1.421 -1.895 0 N-CA-C 105.44 -2.059 . . . . 0.0 105.44 175.332 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -78.35 -19.86 52.55 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 111.505 -2.589 . . . . 0.0 108.612 176.79 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -91.29 -17.75 25.45 Favored 'General case' 0 CA--C 1.495 -1.162 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 174.668 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -88.41 -23.93 23.19 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 111.373 -2.648 . . . . 0.0 107.268 175.392 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -89.48 -27.5 20.29 Favored 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 176.378 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.56 -18.07 32.43 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 111.522 -2.581 . . . . 0.0 107.683 175.221 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.17 -24.35 22.2 Favored 'General case' 0 C--N 1.348 0.516 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 175.046 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.22 -37.42 23.61 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 112.735 -2.029 . . . . 0.0 107.311 176.407 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.85 -20.96 52.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 112.344 -2.207 . . . . 0.0 109.001 176.324 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -30.18 21.4 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 175.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tt -72.83 -40.01 66.11 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 173.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.75 -19.52 62.02 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 113.258 -1.792 . . . . 0.0 110.601 177.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -70.07 -46.16 65.52 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-O 122.51 1.148 . . . . 0.0 108.12 177.053 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mp -56.42 -52.0 66.27 Favored 'General case' 0 C--O 1.204 -1.336 0 CA-C-N 111.405 -2.634 . . . . 0.0 109.023 177.689 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.48 -23.61 66.29 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 125.63 1.831 . . . . 0.0 108.442 175.931 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -79.95 -25.77 40.3 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.664 -1.607 . . . . 0.0 107.347 174.101 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.0 -32.19 13.27 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 114.288 -1.324 . . . . 0.0 108.833 175.819 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.235 0.302 0 CA-C-N 113.736 -1.575 . . . . 0.0 112.788 -179.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 120.88 0.371 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.46 -32.55 8.05 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.344 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 11.0 mp -96.16 -64.34 1.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.359 1.064 . . . . 0.0 111.173 -178.448 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -60.21 -15.62 26.02 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.764 179.382 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -94.68 -34.27 12.63 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.397 1.079 . . . . 0.0 108.451 178.322 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -76.5 -12.49 60.04 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 122.394 1.092 . . . . 0.0 108.611 175.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 tt -93.23 -45.51 7.82 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 112.529 -2.123 . . . . 0.0 106.462 178.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.52 -17.02 64.07 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 113.513 -1.676 . . . . 0.0 110.155 176.574 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.69 -23.95 18.04 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 177.254 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -79.87 -30.53 40.24 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 113.791 -1.55 . . . . 0.0 109.547 178.388 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -84.1 -29.73 26.54 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 126.372 1.869 . . . . 0.0 107.468 179.031 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -80.24 -25.83 39.36 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 174.539 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -76.73 -30.48 56.63 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 113.349 -1.75 . . . . 0.0 108.802 175.543 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.62 -48.18 81.87 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 123.746 1.736 . . . . 0.0 109.023 176.3 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -26.84 2.98 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-N 112.792 -2.004 . . . . 0.0 108.331 176.604 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.18 -35.29 8.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 112.675 -2.057 . . . . 0.0 112.551 176.385 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.57 -47.84 8.0 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.235 1.014 . . . . 0.0 110.062 -176.716 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -71.06 -25.72 62.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.279 -1.328 . . . . 0.0 108.21 176.52 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -80.22 -26.16 39.26 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 174.545 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.39 -22.01 30.62 Favored 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 125.066 1.479 . . . . 0.0 108.144 176.624 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -86.05 -14.17 45.18 Favored 'General case' 0 C--N 1.341 0.237 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 175.145 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.3 -24.65 18.07 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 112.799 -2.0 . . . . 0.0 106.741 176.156 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -84.99 -30.23 24.37 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 106.138 -1.801 . . . . 0.0 106.138 175.678 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 14.4 tp -78.9 -31.52 45.4 Favored 'General case' 0 C--O 1.206 -1.234 0 CA-C-N 111.767 -2.469 . . . . 0.0 107.951 175.922 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -82.07 -20.31 38.47 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 177.082 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -87.48 -31.66 19.86 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 112.91 -1.95 . . . . 0.0 107.509 176.259 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -87.04 -16.15 36.5 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.827 176.324 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 9.3 tt -65.63 -60.08 3.28 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.218 178.672 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -82.15 -44.28 16.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.725 -1.125 . . . . 0.0 112.349 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.075 -0.964 . . . . 0.0 111.124 -179.991 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.437 0 CA-C-O 120.917 0.389 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -92.58 -31.26 15.25 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 179.187 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.04 -24.95 26.18 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 112.88 -1.964 . . . . 0.0 108.199 177.134 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -87.68 -17.32 32.06 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 113.924 -1.489 . . . . 0.0 109.939 177.124 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.0 -21.83 23.3 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 106.185 -1.783 . . . . 0.0 106.185 176.591 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tt -88.65 -36.47 16.22 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 111.532 -2.576 . . . . 0.0 106.694 177.434 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.88 -20.72 52.46 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 113.116 -1.856 . . . . 0.0 108.065 176.311 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -28.77 19.42 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 176.136 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -80.85 -20.38 42.49 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 125.409 1.693 . . . . 0.0 106.815 176.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.22 -35.32 23.56 Favored 'General case' 0 N--CA 1.419 -1.976 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 175.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -78.86 -19.7 51.36 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 111.962 -2.381 . . . . 0.0 109.074 176.87 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.23 -19.39 24.22 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 174.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.78 -33.09 23.07 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 111.131 -2.759 . . . . 0.0 106.872 175.808 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -82.4 -27.12 32.22 Favored 'General case' 0 CA--C 1.49 -1.338 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 177.052 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.55 -19.25 35.99 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 112.107 -2.315 . . . . 0.0 107.265 175.383 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 tt -86.24 -38.57 17.46 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 113.72 -1.582 . . . . 0.0 106.84 175.532 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.04 -31.32 62.84 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 113.249 -1.796 . . . . 0.0 107.336 175.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.95 -19.25 44.57 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 112.916 -1.947 . . . . 0.0 109.017 175.841 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.03 -31.17 19.44 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 104.697 -2.334 . . . . 0.0 104.697 175.758 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tt -74.61 -42.75 58.08 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 112.713 -2.039 . . . . 0.0 106.139 175.071 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.34 -14.49 61.75 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 113.556 -1.657 . . . . 0.0 110.421 176.678 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.09 -28.41 48.71 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.558 1.143 . . . . 0.0 109.315 178.559 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tt -75.31 -46.49 33.05 Favored 'General case' 0 C--O 1.215 -0.722 0 C-N-CA 125.934 1.693 . . . . 0.0 107.693 179.094 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.6 -22.72 65.35 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 112.124 -2.307 . . . . 0.0 107.792 175.589 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -83.28 -36.49 24.45 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 113.039 -1.891 . . . . 0.0 107.666 174.257 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.71 -35.49 65.14 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 175.584 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.451 -0.39 0 CA-C-N 112.469 -2.15 . . . . 0.0 109.643 176.882 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 . . . . . 0 N--CA 1.469 0.484 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.61 -7.52 15.66 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.426 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tt -96.68 -68.61 0.79 Allowed 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.713 0.805 . . . . 0.0 111.113 -178.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.23 -12.76 54.78 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 114.161 -1.382 . . . . 0.0 111.909 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -95.22 -37.91 10.8 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.328 1.051 . . . . 0.0 109.116 179.283 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 39.0 mttp -75.63 -12.87 60.29 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.91 0.862 . . . . 0.0 109.337 176.625 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 11.9 tp -93.52 -41.89 9.53 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 126.257 1.823 . . . . 0.0 106.989 178.026 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.52 -17.07 63.55 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 113.886 -1.506 . . . . 0.0 109.679 176.618 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.44 -26.36 17.25 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-N 114.214 -1.357 . . . . 0.0 108.184 177.717 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.76 -11.53 50.78 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 124.701 1.25 . . . . 0.0 109.374 178.68 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -95.63 -33.88 12.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.109 -1.859 . . . . 0.0 106.474 178.445 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.15 -29.84 34.6 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 112.36 -2.2 . . . . 0.0 107.439 176.257 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -82.88 -14.43 54.25 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.216 176.361 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.88 -23.13 24.05 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-O 122.151 0.977 . . . . 0.0 110.33 178.692 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.58 -18.71 23.65 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 112.313 -2.222 . . . . 0.0 105.978 178.187 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.45 -23.97 17.51 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 112.151 -2.295 . . . . 0.0 107.301 177.634 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.23 -40.5 17.99 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 175.85 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -70.74 -30.37 66.87 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 113.543 -1.662 . . . . 0.0 108.341 176.123 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.79 -26.59 49.8 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 174.591 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -84.93 -22.81 29.1 Favored 'General case' 0 CA--C 1.51 -0.575 0 O-C-N 125.024 1.453 . . . . 0.0 108.26 176.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -84.24 -14.41 50.03 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 174.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.29 -25.17 17.88 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 112.764 -2.016 . . . . 0.0 106.734 176.339 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -86.16 -29.49 23.22 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 175.808 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 8.4 tp -79.74 -30.64 40.92 Favored 'General case' 0 C--O 1.208 -1.131 0 CA-C-N 111.992 -2.367 . . . . 0.0 107.941 175.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.73 -20.38 36.1 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 176.856 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.16 -32.49 17.46 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 112.961 -1.927 . . . . 0.0 107.998 176.664 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -86.33 -18.14 32.71 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.857 176.714 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.73 -59.97 4.23 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.676 0.61 . . . . 0.0 112.351 178.486 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -87.95 -42.05 12.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.633 179.337 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.208 0 C-N-CA 124.459 1.104 . . . . 0.0 112.293 179.98 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.309 0 CA-C-O 121.382 0.61 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -92.26 -47.32 7.27 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 179.245 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.04 -26.21 65.76 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 112.971 -1.922 . . . . 0.0 109.137 176.536 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -89.11 -16.68 30.91 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.999 1.437 . . . . 0.0 110.54 177.743 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.11 -23.26 23.73 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 106.783 -1.562 . . . . 0.0 106.783 177.169 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tp -91.56 -31.06 16.06 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 111.833 -2.439 . . . . 0.0 107.258 177.855 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.17 -21.0 36.74 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 113.425 -1.716 . . . . 0.0 107.711 176.121 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -29.24 18.62 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 176.211 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -81.01 -20.24 42.21 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 125.4 1.687 . . . . 0.0 106.799 176.716 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.87 -35.59 26.11 Favored 'General case' 0 N--CA 1.421 -1.894 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 175.59 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -79.06 -19.52 51.17 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 111.935 -2.393 . . . . 0.0 109.014 177.003 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -91.24 -18.28 24.66 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 174.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -84.86 -33.88 22.75 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 111.242 -2.708 . . . . 0.0 106.757 175.635 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -83.16 -26.92 30.46 Favored 'General case' 0 CA--C 1.491 -1.309 0 CA-C-N 113.556 -1.656 . . . . 0.0 106.812 177.278 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.17 -17.29 37.63 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 112.134 -2.303 . . . . 0.0 107.455 175.549 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 tt -84.57 -39.85 18.26 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 175.025 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.12 -31.66 58.75 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 112.961 -1.927 . . . . 0.0 107.949 176.774 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.0 -19.47 40.41 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 113.314 -1.767 . . . . 0.0 109.233 176.425 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.37 -32.92 19.34 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 104.534 -2.395 . . . . 0.0 104.534 175.731 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 tt -72.7 -45.69 57.51 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 112.727 -2.033 . . . . 0.0 106.08 174.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.07 -14.14 62.53 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 113.724 -1.58 . . . . 0.0 110.687 177.765 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.28 -24.53 39.97 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.605 1.162 . . . . 0.0 109.879 178.696 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 tt -85.95 -42.24 14.21 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 113.701 -1.59 . . . . 0.0 108.608 179.766 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.95 -26.72 60.64 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-N 112.986 -1.915 . . . . 0.0 108.351 177.068 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -84.02 -29.96 26.51 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 113.937 -1.483 . . . . 0.0 107.408 174.862 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.86 -40.03 69.27 Favored 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 174.744 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.45 -0.454 0 CA-C-N 111.788 -2.46 . . . . 0.0 110.007 177.038 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.91 -12.3 15.2 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -179.076 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 tt -97.33 -69.79 0.74 Allowed 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.263 0.625 . . . . 0.0 111.348 -178.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.48 -13.08 37.0 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 114.565 -1.198 . . . . 0.0 112.238 -179.561 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -95.91 -40.4 9.32 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.453 1.101 . . . . 0.0 109.733 179.241 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -76.73 -12.15 59.95 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 121.751 0.786 . . . . 0.0 109.894 177.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.33 -43.81 8.61 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-N 113.392 -1.731 . . . . 0.0 106.728 177.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.19 -18.86 65.61 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 113.212 -1.813 . . . . 0.0 109.912 176.044 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.73 -26.36 17.04 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.354 177.736 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -86.26 -10.94 53.62 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.553 178.724 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -95.04 -29.86 14.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 113.221 -1.809 . . . . 0.0 106.216 178.009 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.4 -29.92 27.76 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 112.507 -2.133 . . . . 0.0 106.91 175.608 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -85.2 -13.92 48.45 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.553 175.856 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 tt -83.91 -37.36 22.46 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 124.92 1.288 . . . . 0.0 109.351 178.68 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -18.8 57.89 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 112.448 -2.16 . . . . 0.0 107.411 176.415 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.64 -19.79 20.14 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 112.564 -2.107 . . . . 0.0 106.72 177.435 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.59 -40.11 16.61 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 112.812 -1.995 . . . . 0.0 105.673 176.126 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -75.79 -27.33 57.96 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 113.035 -1.893 . . . . 0.0 108.502 177.092 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -82.76 -17.2 45.06 Favored 'General case' 0 C--N 1.345 0.411 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 174.261 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -92.22 -24.22 19.1 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 113.47 -1.695 . . . . 0.0 107.734 175.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -89.51 -14.55 34.97 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 113.767 -1.56 . . . . 0.0 107.715 176.731 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.02 -21.93 19.46 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 176.033 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.19 -36.09 23.06 Favored 'General case' 0 N--CA 1.426 -1.648 0 CA-C-N 112.586 -2.097 . . . . 0.0 106.284 176.174 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 12.6 tp -77.82 -27.68 50.1 Favored 'General case' 0 C--O 1.203 -1.353 0 CA-C-N 111.867 -2.424 . . . . 0.0 108.08 176.147 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.32 -19.71 35.7 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 176.507 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -88.83 -33.16 17.48 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 112.591 -2.095 . . . . 0.0 107.984 176.494 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -88.69 -16.75 31.54 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.423 -1.262 . . . . 0.0 110.481 177.263 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mt -57.89 -60.34 3.86 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.23 0.538 . . . . 0.0 112.372 178.756 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -89.95 -42.6 11.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.683 179.251 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.224 0 C-N-CA 124.416 1.086 . . . . 0.0 112.252 -179.859 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 121.139 0.495 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -92.89 -35.13 13.51 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.175 -1.375 . . . . 0.0 107.289 179.29 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.31 -25.22 36.63 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 113.01 -1.904 . . . . 0.0 108.348 177.199 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -89.31 -16.82 30.21 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.42 177.809 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -23.95 23.88 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 177.006 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp -90.32 -31.08 17.07 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 111.986 -2.37 . . . . 0.0 107.042 177.663 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.9 -19.35 37.52 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 113.454 -1.703 . . . . 0.0 107.986 176.232 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -22.22 19.2 Favored 'General case' 0 C--N 1.344 0.341 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 176.113 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -86.55 -22.19 26.47 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 113.007 -1.906 . . . . 0.0 106.405 176.011 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.24 -38.63 18.7 Favored 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 113.068 -1.878 . . . . 0.0 106.659 176.567 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -77.41 -16.83 58.62 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 112.62 -2.082 . . . . 0.0 108.37 176.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.9 -31.48 23.67 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 175.088 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -78.07 -33.26 50.92 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 110.75 -2.932 . . . . 0.0 107.918 176.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -82.32 -23.68 34.99 Favored 'General case' 0 CA--C 1.489 -1.375 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 177.217 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.24 -17.61 34.27 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 111.729 -2.487 . . . . 0.0 107.061 174.718 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -91.31 -26.35 18.99 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 176.157 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.89 -32.76 20.03 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 176.192 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -79.77 -14.95 58.35 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 113.047 -1.888 . . . . 0.0 109.355 176.052 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.31 -31.77 13.29 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 105.147 -2.168 . . . . 0.0 105.147 175.92 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 tt -76.78 -45.53 28.55 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 112.959 -1.928 . . . . 0.0 107.964 176.132 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.77 -12.71 60.23 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 114.275 -1.329 . . . . 0.0 111.14 178.772 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -26.41 53.22 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.116 0.967 . . . . 0.0 109.633 178.471 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.72 -46.05 16.14 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 113.073 -1.876 . . . . 0.0 108.295 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.33 -23.78 59.1 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 113.591 -1.641 . . . . 0.0 108.068 175.867 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -79.72 -22.43 43.34 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 174.082 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.43 -42.61 9.66 Favored 'General case' 0 N--CA 1.423 -1.807 0 CA-C-N 113.75 -1.568 . . . . 0.0 109.341 175.8 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 113.614 -1.63 . . . . 0.0 113.959 -178.654 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 . . . . . 0 N--CA 1.471 0.608 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.54 -6.43 5.16 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -179.185 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.3 tt -94.19 -64.15 1.11 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.0 1.32 . . . . 0.0 109.036 -179.536 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -60.5 -13.37 13.44 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 114.36 -1.291 . . . . 0.0 111.235 178.413 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -95.55 -38.73 10.29 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.785 1.234 . . . . 0.0 109.139 178.632 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -75.05 -13.64 60.51 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-O 121.954 0.883 . . . . 0.0 109.823 177.201 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 mp -93.24 -44.37 8.36 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-N 113.15 -1.841 . . . . 0.0 106.56 178.245 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.78 -17.91 64.96 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 113.268 -1.787 . . . . 0.0 110.081 176.32 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.6 -27.34 15.96 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 114.476 -1.238 . . . . 0.0 108.519 178.001 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.93 -11.4 50.75 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.924 179.353 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -94.34 -33.05 13.34 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 111.312 -2.676 . . . . 0.0 106.685 178.123 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -27.82 34.24 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 112.621 -2.081 . . . . 0.0 106.868 175.298 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -86.35 -14.5 43.33 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.572 176.319 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.02 -22.65 22.88 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-O 122.123 0.964 . . . . 0.0 110.075 178.463 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.89 -18.63 24.46 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 112.162 -2.29 . . . . 0.0 105.928 178.167 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.68 -24.74 17.03 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 112.203 -2.271 . . . . 0.0 107.34 177.365 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.98 -39.93 17.51 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 175.906 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -70.05 -31.39 68.98 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 113.689 -1.596 . . . . 0.0 108.179 175.869 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -77.48 -26.63 51.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 174.566 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.49 -19.8 30.66 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 125.011 1.444 . . . . 0.0 108.036 176.801 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -86.69 -14.23 43.12 Favored 'General case' 0 C--N 1.345 0.388 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 174.717 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.37 -24.5 18.07 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 112.568 -2.105 . . . . 0.0 106.785 176.258 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -86.03 -29.14 23.68 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 175.573 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.9 tp -80.72 -30.46 36.26 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 111.864 -2.425 . . . . 0.0 107.924 175.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.87 -19.99 36.4 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 176.778 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -86.15 -32.82 21.08 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 112.781 -2.009 . . . . 0.0 107.635 176.129 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -88.19 -16.41 33.38 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.259 -1.337 . . . . 0.0 110.191 176.79 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 55.7 tp -58.36 -59.64 5.03 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.128 178.78 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -89.75 -42.3 11.38 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.737 179.65 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.163 0 C-N-CA 124.458 1.103 . . . . 0.0 112.314 -179.792 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.257 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -96.06 -51.78 4.3 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.507 -178.43 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.98 -32.05 73.03 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 114.017 -1.447 . . . . 0.0 112.15 -178.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -90.43 -12.82 36.3 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.21 0.944 . . . . 0.0 110.175 178.566 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.19 -21.4 23.3 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 175.492 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tt -89.41 -36.39 15.5 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 111.382 -2.645 . . . . 0.0 106.733 177.661 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.04 -20.24 52.8 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 113.189 -1.823 . . . . 0.0 107.983 176.305 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -29.36 18.88 Favored 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 175.933 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -80.1 -21.03 43.75 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 125.536 1.772 . . . . 0.0 106.867 176.766 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.71 -35.16 26.96 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 175.788 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -78.01 -19.98 53.39 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 111.736 -2.484 . . . . 0.0 108.611 176.789 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -91.68 -17.6 25.23 Favored 'General case' 0 CA--C 1.494 -1.174 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 174.703 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -88.89 -22.95 22.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 111.483 -2.598 . . . . 0.0 107.433 175.485 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -90.17 -27.03 19.84 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 176.388 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.25 -17.87 29.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 111.274 -2.694 . . . . 0.0 107.606 175.353 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.95 -23.83 21.45 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 105.817 -1.92 . . . . 0.0 105.817 175.058 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.15 -37.81 25.64 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 112.828 -1.987 . . . . 0.0 107.384 176.27 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.49 -18.7 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 112.383 -2.19 . . . . 0.0 109.06 176.416 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.71 -30.76 18.85 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 104.415 -2.439 . . . . 0.0 104.415 175.687 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 tt -72.98 -42.49 63.25 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 112.819 -1.991 . . . . 0.0 105.977 174.549 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.77 -14.61 61.57 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 113.296 -1.775 . . . . 0.0 110.482 177.44 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.39 -26.83 52.17 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 124.531 1.132 . . . . 0.0 110.212 178.702 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.81 -28.37 33.18 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 125.558 1.543 . . . . 0.0 109.206 179.241 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -84.73 -22.95 29.51 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 111.724 -2.489 . . . . 0.0 106.58 176.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -86.24 -33.28 20.76 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 112.444 -2.162 . . . . 0.0 107.935 174.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.54 -35.12 65.49 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 174.782 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.448 -0.545 0 CA-C-N 112.096 -2.32 . . . . 0.0 109.688 176.365 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.34 -5.78 2.71 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -179.136 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.8 mt -90.86 -64.19 1.16 Allowed 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 124.183 0.993 . . . . 0.0 109.383 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -59.5 -13.25 8.24 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 114.513 -1.222 . . . . 0.0 110.73 177.188 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -95.41 -36.3 11.4 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.107 1.363 . . . . 0.0 108.706 178.504 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -74.19 -13.3 60.78 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 122.11 0.957 . . . . 0.0 109.273 176.155 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -93.19 -43.62 8.75 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 112.871 -1.968 . . . . 0.0 106.701 178.156 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.94 -18.51 65.39 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 113.069 -1.878 . . . . 0.0 109.855 176.009 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.99 -25.38 16.53 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.048 -1.433 . . . . 0.0 108.206 177.583 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -86.4 -10.83 53.52 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.159 178.55 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -94.37 -29.81 14.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.266 -1.788 . . . . 0.0 106.733 178.383 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -28.12 24.25 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 112.674 -2.057 . . . . 0.0 107.2 175.806 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -91.45 -13.61 31.97 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.449 -1.25 . . . . 0.0 109.797 176.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 26.5 tp -76.16 -40.11 53.33 Favored 'General case' 0 C--O 1.204 -1.339 0 C-N-CA 125.423 1.489 . . . . 0.0 111.169 178.904 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -16.55 54.9 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 112.208 -2.269 . . . . 0.0 107.898 178.617 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.18 -28.09 14.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 112.876 -1.965 . . . . 0.0 109.154 178.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.65 -38.79 12.87 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.34 -1.3 . . . . 0.0 107.562 178.128 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -71.77 -27.3 62.87 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 114.137 -1.392 . . . . 0.0 108.551 176.235 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -81.18 -19.07 44.14 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 174.012 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -92.72 -25.12 18.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 113.431 -1.713 . . . . 0.0 108.62 177.179 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.08 -15.89 32.86 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 113.963 -1.471 . . . . 0.0 108.165 177.196 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.84 -21.92 19.6 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 105.782 -1.932 . . . . 0.0 105.782 176.242 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.15 -36.49 24.71 Favored 'General case' 0 N--CA 1.428 -1.546 0 CA-C-N 112.87 -1.968 . . . . 0.0 106.368 176.099 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.0 tp -76.73 -29.21 56.09 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 111.928 -2.396 . . . . 0.0 108.014 176.21 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.66 -20.85 35.45 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 106.479 -1.675 . . . . 0.0 106.479 177.272 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -89.09 -33.24 17.18 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 113.105 -1.861 . . . . 0.0 108.059 176.321 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -84.34 -18.29 36.68 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.644 -1.162 . . . . 0.0 109.673 176.69 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -58.27 -60.05 4.36 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.222 178.254 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -92.23 -42.61 9.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.703 179.507 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.189 0 C-N-CA 124.32 1.048 . . . . 0.0 112.142 -179.781 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.277 0 CA-C-O 121.056 0.455 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -95.45 -61.11 1.52 Allowed 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.705 -179.328 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -31.44 66.45 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 113.418 -1.719 . . . . 0.0 112.428 -179.519 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -92.46 -11.93 33.41 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 124.151 0.907 . . . . 0.0 110.395 178.561 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.75 -21.69 22.54 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 175.532 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 tt -88.37 -40.75 13.31 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 111.133 -2.758 . . . . 0.0 106.273 177.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.76 -16.64 59.42 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 125.387 1.679 . . . . 0.0 107.92 176.282 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.73 -28.97 22.75 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 104.829 -2.286 . . . . 0.0 104.829 174.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -83.1 -19.84 36.0 Favored 'General case' 0 C--N 1.342 0.239 0 CA-C-N 112.842 -1.981 . . . . 0.0 107.65 177.242 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.33 -21.06 22.21 Favored 'General case' 0 CA--C 1.497 -1.096 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 175.527 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 15.7 t-105 -87.21 -24.2 24.51 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 111.124 -2.762 . . . . 0.0 108.189 176.317 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -92.13 -18.51 23.44 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 175.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.29 -23.26 26.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 111.989 -2.369 . . . . 0.0 106.876 175.525 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -34.33 19.6 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-N 112.626 -2.079 . . . . 0.0 106.327 176.831 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.7 -16.47 44.82 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 111.663 -2.517 . . . . 0.0 107.733 175.643 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.35 -24.79 21.88 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 174.73 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.56 -38.28 23.93 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 112.739 -2.028 . . . . 0.0 107.604 176.544 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -80.34 -18.04 50.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 112.376 -2.193 . . . . 0.0 109.292 176.722 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.44 -30.99 19.02 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 175.363 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.96 -43.65 62.04 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 112.566 -2.106 . . . . 0.0 106.107 174.582 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.85 -12.64 60.74 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 113.503 -1.681 . . . . 0.0 110.765 177.208 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.43 -23.66 34.73 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 124.88 1.272 . . . . 0.0 109.531 178.196 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 32.2 tp -78.9 -46.14 19.09 Favored 'General case' 0 C--O 1.215 -0.758 0 C-N-CA 126.059 1.744 . . . . 0.0 108.425 179.45 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -25.8 59.27 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 111.613 -2.54 . . . . 0.0 107.79 175.744 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.07 -21.49 39.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 113.949 -1.478 . . . . 0.0 107.256 174.766 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.9 -40.86 12.13 Favored 'General case' 0 N--CA 1.42 -1.936 0 CA-C-N 113.806 -1.543 . . . . 0.0 108.539 175.549 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 113.089 -1.868 . . . . 0.0 113.313 -179.867 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.468 0.444 0 CA-C-O 120.689 0.281 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.33 -5.89 0.14 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.617 1.167 . . . . 0.0 114.07 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -94.65 -68.77 0.78 Allowed 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 123.955 0.902 . . . . 0.0 109.989 -179.184 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -61.76 -12.29 16.27 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 113.991 -1.459 . . . . 0.0 111.824 178.7 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -95.6 -41.79 8.74 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 124.753 1.221 . . . . 0.0 109.491 179.027 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -75.26 -12.51 60.3 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.899 177.505 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 mp -93.25 -44.53 8.28 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 113.397 -1.728 . . . . 0.0 106.897 178.202 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.88 -18.9 65.65 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 113.246 -1.797 . . . . 0.0 109.932 176.355 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.23 -25.89 17.61 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 114.392 -1.276 . . . . 0.0 108.353 177.777 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -87.37 -12.97 44.75 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.692 178.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -94.9 -32.09 13.38 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 126.414 1.885 . . . . 0.0 106.479 178.254 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -30.43 38.1 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 112.527 -2.124 . . . . 0.0 107.124 175.655 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -85.48 -14.17 46.87 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.866 175.905 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 tt -85.07 -36.45 21.18 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 124.966 1.307 . . . . 0.0 109.462 178.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.27 -18.67 55.01 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 112.57 -2.105 . . . . 0.0 107.301 176.51 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.81 -18.33 21.31 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 112.601 -2.091 . . . . 0.0 106.741 177.247 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.44 -40.79 14.05 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 112.855 -1.975 . . . . 0.0 105.798 176.294 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -76.68 -27.37 55.53 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 113.121 -1.854 . . . . 0.0 108.782 177.444 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -82.86 -16.99 45.47 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 107.013 -1.476 . . . . 0.0 107.013 174.209 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.5 -23.57 19.06 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 113.45 -1.705 . . . . 0.0 107.737 176.235 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -90.11 -15.71 31.09 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 113.845 -1.525 . . . . 0.0 107.794 176.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.99 -21.55 19.7 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 176.281 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.25 -36.24 22.83 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 112.753 -2.022 . . . . 0.0 106.437 176.09 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 12.4 tp -76.63 -29.09 56.32 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-N 111.956 -2.383 . . . . 0.0 108.022 176.177 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.37 -20.04 34.97 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 177.071 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -89.02 -32.96 17.34 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 112.875 -1.966 . . . . 0.0 107.987 176.442 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -86.53 -17.91 32.89 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.134 176.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.59 -60.26 3.94 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.281 178.361 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -91.76 -42.28 10.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.706 179.353 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.13 0 C-N-CA 124.378 1.071 . . . . 0.0 112.257 -179.956 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.332 0 CA-C-O 121.04 0.448 . . . . 0.0 112.139 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.2 tt -95.7 -60.74 1.59 Allowed 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.956 -179.076 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.58 -31.75 69.74 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 113.565 -1.652 . . . . 0.0 112.545 -179.302 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -93.14 -11.77 32.01 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.236 0.96 . . . . 0.0 110.314 179.3 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -24.59 22.71 Favored 'General case' 0 C--O 1.227 -0.101 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 175.599 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -93.76 -20.94 19.64 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 111.961 -2.381 . . . . 0.0 107.285 177.84 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.29 -19.22 23.2 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 175.888 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.67 -28.9 18.05 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 175.866 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -82.64 -18.33 41.48 Favored 'General case' 0 CA--C 1.51 -0.567 0 O-C-N 125.4 1.687 . . . . 0.0 106.932 176.626 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.53 -32.16 24.04 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 105.655 -1.98 . . . . 0.0 105.655 175.114 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 13.8 t-105 -81.12 -23.39 38.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 110.99 -2.823 . . . . 0.0 109.21 177.061 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.83 -23.96 22.69 Favored 'General case' 0 CA--C 1.494 -1.188 0 N-CA-C 105.854 -1.906 . . . . 0.0 105.854 175.827 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 tp -76.38 -38.82 55.21 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 111.777 -2.465 . . . . 0.0 106.81 175.171 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.39 -35.25 70.97 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 112.828 -1.987 . . . . 0.0 107.522 176.612 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.67 -26.09 54.43 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 111.931 -2.395 . . . . 0.0 107.909 176.012 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.23 -36.16 40.45 Favored 'General case' 0 CA--C 1.499 -1.017 0 O-C-N 125.288 1.618 . . . . 0.0 107.797 176.55 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.85 -30.98 62.96 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 111.714 -2.494 . . . . 0.0 106.697 175.018 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.19 -18.6 42.12 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 112.456 -2.156 . . . . 0.0 109.271 175.702 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.8 -40.45 20.4 Favored 'General case' 0 CA--C 1.491 -1.313 0 N-CA-C 104.081 -2.563 . . . . 0.0 104.081 174.344 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 tt -65.24 -43.89 89.92 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 110.735 -2.939 . . . . 0.0 107.058 174.845 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.71 -12.63 60.23 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 113.871 -1.513 . . . . 0.0 110.876 177.586 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.32 -27.29 47.17 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 124.364 1.065 . . . . 0.0 109.236 178.572 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -77.01 -46.4 23.96 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-N 113.773 -1.558 . . . . 0.0 107.884 179.544 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.5 -20.28 63.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 112.316 -2.22 . . . . 0.0 106.995 174.896 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -82.43 -26.11 33.03 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 113.107 -1.86 . . . . 0.0 107.236 173.756 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.67 -38.6 11.24 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 114.182 -1.372 . . . . 0.0 109.266 175.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 9.5 mp . . . . . 0 N--CA 1.472 0.645 0 CA-C-N 113.637 -1.62 . . . . 0.0 113.534 -178.841 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 . . . . . 0 N--CA 1.471 0.596 0 CA-C-O 120.715 0.293 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.36 -6.78 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -179.796 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 37.3 tp -93.43 -68.04 0.82 Allowed 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.562 1.145 . . . . 0.0 108.998 -179.86 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.55 -11.54 4.89 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.84 177.441 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -95.03 -40.13 9.81 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 125.26 1.424 . . . . 0.0 109.137 178.716 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -73.16 -13.22 61.13 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 121.994 0.902 . . . . 0.0 109.635 176.707 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 6.3 mp -93.47 -43.7 8.6 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 113.168 -1.833 . . . . 0.0 106.653 177.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.09 -18.02 65.08 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 113.066 -1.879 . . . . 0.0 109.891 176.098 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.77 -24.76 16.95 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 114.292 -1.322 . . . . 0.0 108.169 177.821 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -86.71 -14.4 42.58 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 114.285 -1.325 . . . . 0.0 109.465 178.566 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -95.34 -31.14 13.57 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 126.209 1.804 . . . . 0.0 106.522 178.423 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -30.5 33.85 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 112.727 -2.033 . . . . 0.0 107.187 175.925 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -84.61 -14.05 49.83 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.365 -1.289 . . . . 0.0 109.516 175.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 tt -83.88 -38.55 20.98 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 125.07 1.348 . . . . 0.0 109.344 178.778 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.32 -17.64 56.28 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 112.417 -2.174 . . . . 0.0 107.4 176.815 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.21 -23.13 18.01 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 112.652 -2.067 . . . . 0.0 107.62 177.895 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.43 -40.01 16.9 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 176.106 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -73.3 -27.36 61.49 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 113.213 -1.812 . . . . 0.0 108.664 176.59 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -82.59 -17.56 44.37 Favored 'General case' 0 C--N 1.345 0.412 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 173.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -92.31 -24.23 19.02 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 113.41 -1.723 . . . . 0.0 107.75 176.251 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -89.43 -14.68 34.88 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 113.775 -1.557 . . . . 0.0 107.738 176.592 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.01 -22.18 19.31 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 176.078 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.16 -36.29 22.98 Favored 'General case' 0 N--CA 1.427 -1.622 0 CA-C-N 112.644 -2.071 . . . . 0.0 106.421 176.282 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 tp -78.06 -27.44 48.63 Favored 'General case' 0 C--O 1.205 -1.254 0 CA-C-N 111.965 -2.379 . . . . 0.0 108.174 176.201 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.96 -20.39 35.3 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 176.513 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -89.26 -31.98 17.61 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 112.762 -2.017 . . . . 0.0 107.896 176.502 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -86.89 -18.72 30.19 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 114.387 -1.279 . . . . 0.0 110.082 176.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -57.08 -60.14 4.04 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.546 178.636 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -82.94 -41.61 18.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.497 -1.229 . . . . 0.0 112.144 179.64 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.065 -0.969 . . . . 0.0 111.28 -179.827 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 121.217 0.532 . . . . 0.0 109.694 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -92.7 -37.16 12.54 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.937 -1.483 . . . . 0.0 107.349 179.415 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.75 -24.25 44.88 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 113.11 -1.859 . . . . 0.0 108.373 177.003 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -87.74 -18.13 30.12 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 113.726 -1.579 . . . . 0.0 109.841 176.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.46 -21.04 23.18 Favored 'General case' 0 C--O 1.227 -0.128 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 176.798 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tt -88.56 -35.95 16.63 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 111.638 -2.528 . . . . 0.0 106.598 177.267 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.9 -21.09 51.74 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 113.055 -1.884 . . . . 0.0 108.056 176.183 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -28.62 18.97 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 176.262 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -80.97 -20.2 42.41 Favored 'General case' 0 CA--C 1.51 -0.57 0 O-C-N 125.491 1.744 . . . . 0.0 106.81 176.716 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.95 -34.95 26.35 Favored 'General case' 0 N--CA 1.422 -1.87 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 175.735 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 13.8 t-105 -79.43 -20.1 48.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 111.788 -2.46 . . . . 0.0 108.95 176.816 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.72 -19.05 23.98 Favored 'General case' 0 CA--C 1.495 -1.173 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 175.016 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.18 -33.84 24.11 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 111.221 -2.718 . . . . 0.0 106.858 175.6 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -79.98 -26.92 39.73 Favored 'General case' 0 CA--C 1.489 -1.393 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 176.866 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.55 -16.82 38.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 111.689 -2.505 . . . . 0.0 107.243 175.009 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.4 -26.02 20.1 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 175.171 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.66 -29.7 22.3 Favored 'General case' 0 CA--C 1.5 -0.977 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 176.323 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.46 -19.13 36.41 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 112.62 -2.082 . . . . 0.0 109.099 175.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.25 -31.09 18.05 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 104.45 -2.426 . . . . 0.0 104.45 175.894 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.36 -46.56 48.42 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 112.648 -2.069 . . . . 0.0 105.801 174.451 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.02 -12.68 60.58 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 113.92 -1.491 . . . . 0.0 110.199 177.172 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.89 -29.93 23.28 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 124.587 1.155 . . . . 0.0 109.074 178.089 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -30.92 31.07 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 126.122 1.769 . . . . 0.0 109.432 179.798 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.69 -22.63 37.31 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 112.802 -1.999 . . . . 0.0 106.036 176.076 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -83.62 -35.92 24.27 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 111.979 -2.373 . . . . 0.0 108.067 174.865 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.24 -34.43 65.86 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 175.101 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.367 0 CA-C-N 112.183 -2.28 . . . . 0.0 109.467 176.421 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.67 -11.33 34.4 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.884 0.874 . . . . 0.0 112.984 -179.893 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.1 tt -96.26 -65.27 0.98 Allowed 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 124.763 1.225 . . . . 0.0 109.778 -179.419 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -56.56 -15.79 4.95 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 114.241 -1.345 . . . . 0.0 112.334 179.458 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -95.18 -37.26 11.12 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.368 1.067 . . . . 0.0 108.501 178.227 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -78.45 -12.21 60.0 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 114.858 -1.064 . . . . 0.0 109.403 176.778 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 tt -93.14 -45.09 8.04 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 126.821 2.048 . . . . 0.0 106.51 178.896 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.24 -17.86 64.98 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 113.428 -1.715 . . . . 0.0 109.997 176.172 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.76 -25.8 17.26 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.5 -1.227 . . . . 0.0 108.398 177.726 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.02 -13.19 48.22 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.366 -1.288 . . . . 0.0 109.513 178.747 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -95.2 -30.86 13.79 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 126.191 1.797 . . . . 0.0 106.57 178.156 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -82.04 -31.84 30.75 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 112.593 -2.094 . . . . 0.0 107.25 176.003 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -83.81 -13.97 52.49 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.762 176.035 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tt -83.24 -39.41 20.94 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 125.044 1.338 . . . . 0.0 109.674 178.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.67 -17.48 57.65 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 112.555 -2.111 . . . . 0.0 107.478 177.034 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.43 -24.21 17.43 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 112.627 -2.079 . . . . 0.0 107.896 178.115 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.88 -39.74 17.89 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 176.321 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -72.56 -28.84 63.07 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 113.334 -1.757 . . . . 0.0 108.575 176.467 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -81.96 -17.43 47.03 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 173.948 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.41 -22.97 19.34 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 113.672 -1.604 . . . . 0.0 107.843 176.361 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -89.73 -15.89 31.51 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 113.854 -1.521 . . . . 0.0 107.711 176.718 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.94 -21.51 19.76 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 176.36 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.2 -35.97 23.12 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 112.84 -1.982 . . . . 0.0 106.356 175.945 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 14.6 tp -75.69 -30.41 59.34 Favored 'General case' 0 C--O 1.206 -1.216 0 CA-C-N 111.858 -2.428 . . . . 0.0 108.001 175.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.07 -20.06 35.66 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.321 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -88.16 -31.01 19.37 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 112.93 -1.941 . . . . 0.0 107.564 176.061 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -86.99 -18.73 29.97 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.264 -1.334 . . . . 0.0 109.845 176.792 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.6 -60.47 3.29 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.088 178.68 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -86.5 -43.06 13.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.844 179.515 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.248 0 C-N-CA 124.34 1.056 . . . . 0.0 112.281 -179.948 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.369 0 CA-C-O 121.409 0.623 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tt -90.76 -47.21 7.77 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 113.775 -1.557 . . . . 0.0 106.944 179.573 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.79 -24.01 64.35 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 113.145 -1.843 . . . . 0.0 108.766 176.084 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -84.53 -27.8 27.11 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.996 177.825 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -21.63 34.59 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 178.371 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -93.09 -17.46 23.78 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 112.0 -2.364 . . . . 0.0 106.405 176.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.66 -22.98 20.9 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 113.452 -1.704 . . . . 0.0 107.116 175.49 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -87.3 -33.53 19.19 Favored 'General case' 0 CA--C 1.493 -1.227 0 CA-C-N 113.42 -1.718 . . . . 0.0 106.592 175.907 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -78.18 -21.6 49.9 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 111.03 -2.805 . . . . 0.0 107.834 176.126 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.31 -33.36 23.94 Favored 'General case' 0 N--CA 1.435 -1.197 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 175.527 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 -79.15 -22.37 45.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 111.328 -2.669 . . . . 0.0 108.435 176.705 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.92 -31.31 22.22 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 176.554 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 tt -73.24 -40.21 64.84 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 111.195 -2.73 . . . . 0.0 106.459 176.052 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -34.09 75.54 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 113.192 -1.822 . . . . 0.0 107.262 175.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.36 -17.98 50.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 111.73 -2.486 . . . . 0.0 108.011 175.516 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -90.19 -25.47 20.62 Favored 'General case' 0 C--N 1.349 0.587 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 175.891 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.44 -28.66 23.38 Favored 'General case' 0 CA--C 1.5 -0.968 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 175.962 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.31 -19.48 33.68 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 112.298 -2.228 . . . . 0.0 108.845 175.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.54 -31.38 19.93 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 104.449 -2.426 . . . . 0.0 104.449 175.752 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 tt -73.33 -41.09 63.91 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 112.626 -2.079 . . . . 0.0 106.056 174.819 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.02 -13.56 60.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 113.479 -1.691 . . . . 0.0 110.256 176.859 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -31.46 24.96 Favored 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 124.469 1.107 . . . . 0.0 109.824 178.574 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -80.72 -26.96 37.06 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 126.031 1.732 . . . . 0.0 108.254 179.408 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.32 -33.12 43.46 Favored 'General case' 0 N--CA 1.426 -1.625 0 CA-C-N 110.593 -3.003 . . . . 0.0 106.835 176.626 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -79.02 -35.13 43.2 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 111.624 -2.535 . . . . 0.0 108.59 175.68 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.84 -33.03 63.96 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 175.405 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-N 112.224 -2.262 . . . . 0.0 109.194 176.248 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.539 0.537 0 CA-C-O 120.546 0.212 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.08 -6.75 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -179.277 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 tt -94.5 -64.96 1.02 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.921 0.888 . . . . 0.0 109.023 179.544 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.1 -11.44 48.91 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.245 -1.343 . . . . 0.0 111.344 178.228 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -95.31 -40.94 9.28 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.726 1.21 . . . . 0.0 109.141 179.17 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -75.68 -12.37 60.18 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.442 176.893 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.99 -40.29 10.64 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 113.332 -1.758 . . . . 0.0 107.497 178.315 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.21 -18.43 63.17 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 112.643 -2.071 . . . . 0.0 109.515 176.196 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.46 -24.14 17.43 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 114.177 -1.374 . . . . 0.0 108.046 177.584 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.8 -14.66 41.57 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 114.242 -1.345 . . . . 0.0 109.586 178.477 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -95.24 -30.17 14.13 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 126.118 1.767 . . . . 0.0 106.596 178.392 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -30.24 28.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 112.614 -2.084 . . . . 0.0 107.327 176.03 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -85.26 -13.95 48.22 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.613 176.046 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 8.9 tp -81.35 -38.79 26.11 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.203 1.401 . . . . 0.0 110.423 179.012 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.78 -17.7 50.04 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 110.792 -2.913 . . . . 0.0 107.39 177.825 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.27 -24.46 17.44 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 112.743 -2.026 . . . . 0.0 107.365 177.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.26 -40.6 17.83 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 175.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -71.86 -29.18 64.1 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 113.454 -1.703 . . . . 0.0 108.246 176.376 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -77.88 -27.37 49.68 Favored 'General case' 0 C--N 1.344 0.357 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 174.393 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.33 -20.15 28.76 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 125.1 1.5 . . . . 0.0 108.146 177.149 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -87.24 -13.5 43.64 Favored 'General case' 0 C--N 1.344 0.333 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 174.903 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.02 -24.85 18.2 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 112.682 -2.054 . . . . 0.0 106.491 176.138 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -85.25 -30.71 23.59 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 175.703 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 tp -80.27 -29.23 38.3 Favored 'General case' 0 C--O 1.203 -1.359 0 CA-C-N 111.972 -2.376 . . . . 0.0 108.111 176.124 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.52 -20.35 36.87 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 176.748 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.01 -32.29 17.67 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 112.927 -1.942 . . . . 0.0 107.999 176.529 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -87.95 -16.85 32.69 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.177 176.924 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.12 -59.98 4.45 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.281 0.562 . . . . 0.0 112.515 178.796 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -83.92 -41.88 16.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.13 179.603 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.361 -179.851 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.443 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tt -93.46 -47.15 6.99 Favored 'General case' 0 CA--C 1.508 -0.657 0 C-N-CA 125.39 1.476 . . . . 0.0 108.819 -178.055 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.69 -29.33 64.58 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 114.153 -1.385 . . . . 0.0 110.462 177.934 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -90.09 -15.7 31.16 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 124.678 1.236 . . . . 0.0 110.68 177.27 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -83.86 -33.25 24.88 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 123.634 1.683 . . . . 0.0 106.763 175.94 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -80.61 -32.09 36.48 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 109.406 -3.543 . . . . 0.0 107.954 177.132 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.28 -17.58 42.1 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 176.298 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.3 -28.93 21.97 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 104.948 -2.242 . . . . 0.0 104.948 175.008 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -83.11 -20.32 35.07 Favored 'General case' 0 C--N 1.345 0.4 0 O-C-N 125.703 1.877 . . . . 0.0 107.294 176.818 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -85.05 -29.34 25.01 Favored 'General case' 0 CA--C 1.493 -1.231 0 N-CA-C 104.758 -2.312 . . . . 0.0 104.758 174.931 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -81.92 -20.65 38.29 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 111.568 -2.56 . . . . 0.0 108.832 176.469 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.18 -19.06 24.66 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 174.887 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -83.8 -34.36 24.75 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 111.296 -2.684 . . . . 0.0 106.874 175.5 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -79.97 -27.44 39.71 Favored 'General case' 0 CA--C 1.489 -1.397 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 176.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.79 -16.27 39.34 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 111.633 -2.531 . . . . 0.0 107.316 175.334 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.12 -26.12 20.37 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 106.819 -1.549 . . . . 0.0 106.819 175.097 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.33 -29.9 21.23 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 113.752 -1.567 . . . . 0.0 106.793 176.446 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.68 -19.88 34.52 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 112.635 -2.075 . . . . 0.0 109.115 176.214 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -32.41 19.03 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 104.644 -2.354 . . . . 0.0 104.644 175.714 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 tt -71.9 -41.5 67.89 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 112.674 -2.057 . . . . 0.0 106.145 174.798 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.73 -13.55 60.62 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 113.321 -1.763 . . . . 0.0 110.8 176.963 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.35 -24.27 25.88 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 124.627 1.171 . . . . 0.0 110.431 179.002 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.46 -28.69 21.92 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 125.471 1.508 . . . . 0.0 107.986 179.364 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.61 -37.18 31.63 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 110.44 -3.073 . . . . 0.0 107.828 177.909 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -80.75 -25.23 38.13 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 113.003 -1.908 . . . . 0.0 108.058 174.927 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.01 -35.28 72.0 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 105.142 -2.17 . . . . 0.0 105.142 174.174 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.443 -0.824 0 CA-C-N 110.868 -2.878 . . . . 0.0 111.93 177.202 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 . . . . . 0 N--CA 1.469 0.524 0 CA-C-O 120.89 0.376 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.75 -6.66 42.55 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.17 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.7 tt -95.78 -69.69 0.74 Allowed 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 123.991 0.916 . . . . 0.0 111.122 -177.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.21 -12.95 14.83 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.257 -179.572 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -96.41 -42.73 7.97 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.405 1.082 . . . . 0.0 109.564 179.26 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -77.05 -12.06 59.89 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 124.055 0.847 . . . . 0.0 110.485 178.391 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -92.63 -44.32 8.64 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-N 113.695 -1.593 . . . . 0.0 106.999 178.093 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.39 -17.05 64.14 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 113.088 -1.869 . . . . 0.0 110.112 176.491 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -95.22 -25.96 16.16 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.621 -1.172 . . . . 0.0 107.969 177.258 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 53.4 tp -74.9 -41.24 60.12 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.225 1.41 . . . . 0.0 110.483 178.886 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -73.25 -32.68 64.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 112.607 -2.088 . . . . 0.0 108.261 177.51 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -75.74 -30.68 59.3 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 113.352 -1.749 . . . . 0.0 106.341 175.285 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -85.41 -14.64 45.63 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 113.56 -1.655 . . . . 0.0 110.196 175.684 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -90.05 -16.91 28.77 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 124.133 0.973 . . . . 0.0 110.138 179.018 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.6 -20.99 18.52 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 178.573 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.95 -20.92 18.98 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 111.838 -2.437 . . . . 0.0 107.374 178.256 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.62 -37.2 14.81 Favored 'General case' 0 C--N 1.346 0.42 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 176.437 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -75.03 -31.89 61.44 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 113.394 -1.73 . . . . 0.0 108.406 176.835 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -77.16 -25.68 52.19 Favored 'General case' 0 C--N 1.344 0.339 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 174.672 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -85.69 -21.72 28.19 Favored 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 125.088 1.493 . . . . 0.0 108.369 177.116 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -85.78 -14.0 46.49 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 175.066 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.24 -25.02 17.97 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 112.618 -2.083 . . . . 0.0 106.605 176.339 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -85.37 -30.64 23.47 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 175.792 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 13.5 tp -79.11 -30.49 43.78 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-N 112.065 -2.334 . . . . 0.0 108.195 176.031 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.7 -20.16 36.64 Favored 'General case' 0 CA--C 1.508 -0.641 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 176.893 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -89.04 -32.71 17.45 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 112.825 -1.989 . . . . 0.0 108.002 176.614 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -86.87 -17.02 34.32 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.082 176.804 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mt -58.51 -59.98 4.51 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.423 178.665 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -84.41 -41.94 16.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.651 -1.159 . . . . 0.0 112.16 179.757 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.066 -0.969 . . . . 0.0 111.315 -179.788 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.27 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 tt -95.48 -62.55 1.28 Allowed 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.127 -178.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -31.67 67.78 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 113.515 -1.675 . . . . 0.0 112.338 -179.619 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -91.7 -11.87 35.65 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 124.083 0.864 . . . . 0.0 110.292 178.598 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.91 -21.24 23.71 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 175.287 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tt -89.55 -36.82 15.12 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 111.277 -2.692 . . . . 0.0 106.552 177.791 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.96 -18.86 53.04 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 113.17 -1.832 . . . . 0.0 107.751 176.197 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -28.61 18.9 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 175.883 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -81.94 -18.2 44.4 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 125.56 1.788 . . . . 0.0 107.162 176.772 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.41 -31.34 22.95 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 175.42 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 11.0 t-105 -82.17 -22.54 35.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 110.938 -2.846 . . . . 0.0 109.297 176.724 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.89 -19.34 22.59 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 175.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 tt -80.31 -39.24 29.1 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 111.567 -2.56 . . . . 0.0 105.624 175.09 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -34.62 68.54 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 112.641 -2.072 . . . . 0.0 107.998 176.184 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.52 -18.67 44.23 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 112.226 -2.261 . . . . 0.0 108.395 175.816 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 tp -82.25 -38.46 24.42 Favored 'General case' 0 CA--C 1.493 -1.231 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 175.859 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.02 -44.32 63.6 Favored 'General case' 0 C--O 1.204 -1.322 0 CA-C-N 111.64 -2.527 . . . . 0.0 106.0 174.661 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -68.66 -11.29 59.95 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 113.881 -1.509 . . . . 0.0 108.783 176.58 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.15 -34.89 10.97 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 174.544 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 mp -91.43 -55.06 3.65 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 113.463 -1.698 . . . . 0.0 111.893 179.057 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.25 -12.83 57.82 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -176.608 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.22 -23.89 17.7 Favored 'General case' 0 C--O 1.21 -1.001 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.288 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.46 -38.51 74.46 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 126.289 1.835 . . . . 0.0 108.287 177.583 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.97 -25.41 59.92 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 112.437 -2.165 . . . . 0.0 107.252 176.166 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -83.86 -33.57 24.8 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 112.5 -2.136 . . . . 0.0 108.268 175.71 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.14 -33.08 61.5 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 175.369 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 N--CA 1.451 -0.414 0 CA-C-N 112.325 -2.216 . . . . 0.0 109.376 176.462 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 . . . . . 0 N--CA 1.468 0.455 0 CA-C-O 120.787 0.327 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.64 -8.0 0.08 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -179.456 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 tt -94.62 -61.24 1.54 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.441 1.097 . . . . 0.0 108.77 179.544 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.03 -12.71 28.15 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 114.267 -1.333 . . . . 0.0 110.502 177.645 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -95.15 -35.94 11.68 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.134 1.374 . . . . 0.0 108.711 178.581 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -74.89 -14.28 60.64 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-O 122.121 0.963 . . . . 0.0 109.206 176.513 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -93.44 -43.17 8.88 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 112.869 -1.969 . . . . 0.0 106.464 177.827 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.02 -19.1 65.83 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 113.037 -1.892 . . . . 0.0 109.689 176.091 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.34 -26.0 16.75 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 114.224 -1.353 . . . . 0.0 108.31 177.952 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -86.86 -10.66 52.89 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.536 178.741 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -94.91 -30.43 14.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 112.942 -1.935 . . . . 0.0 105.916 178.254 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -31.67 27.38 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 112.35 -2.204 . . . . 0.0 106.979 175.899 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -81.5 -13.81 57.7 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.272 -1.331 . . . . 0.0 109.129 175.753 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 13.7 tp -82.87 -32.42 27.42 Favored 'General case' 0 C--N 1.346 0.414 0 C-N-CA 125.166 1.387 . . . . 0.0 110.484 178.565 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.27 -18.43 39.12 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 127.241 2.217 . . . . 0.0 106.689 177.484 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.46 -19.4 20.6 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 112.294 -2.23 . . . . 0.0 106.4 177.046 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.48 -39.28 15.32 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 112.711 -2.04 . . . . 0.0 105.621 175.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -75.77 -27.41 58.04 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 113.106 -1.861 . . . . 0.0 108.473 176.762 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -82.15 -17.2 47.19 Favored 'General case' 0 C--N 1.347 0.472 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.023 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -91.44 -24.49 19.69 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 113.471 -1.695 . . . . 0.0 107.627 176.051 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -89.15 -15.53 33.59 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 113.573 -1.649 . . . . 0.0 107.722 176.625 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.95 -21.62 19.69 Favored 'General case' 0 CA--C 1.509 -0.635 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 176.208 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.83 -35.78 23.98 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 112.697 -2.047 . . . . 0.0 106.232 175.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 tp -76.97 -29.05 55.36 Favored 'General case' 0 C--O 1.207 -1.18 0 CA-C-N 111.849 -2.432 . . . . 0.0 107.974 175.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.58 -20.39 36.6 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 176.9 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -89.11 -32.43 17.52 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 112.855 -1.975 . . . . 0.0 107.834 176.339 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -84.76 -20.0 31.76 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.723 176.856 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.89 -59.94 4.31 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.13 178.266 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -90.25 -42.33 11.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.623 179.452 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.214 0 C-N-CA 124.348 1.059 . . . . 0.0 112.213 -179.932 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.28 0 CA-C-O 121.067 0.46 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -92.57 -34.58 13.97 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.168 -1.378 . . . . 0.0 107.33 179.176 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.57 -24.04 34.16 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 113.015 -1.902 . . . . 0.0 108.302 177.115 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -89.07 -17.29 29.6 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.874 177.65 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -24.72 22.61 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 176.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.44 -19.1 21.59 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 112.302 -2.226 . . . . 0.0 107.226 177.252 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.05 -21.3 21.31 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 175.913 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.59 -29.76 17.62 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 113.067 -1.878 . . . . 0.0 106.122 176.169 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -81.93 -19.11 41.42 Favored 'General case' 0 CA--C 1.509 -0.609 0 O-C-N 125.33 1.644 . . . . 0.0 106.825 176.649 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.5 -34.94 27.79 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 105.397 -2.075 . . . . 0.0 105.397 175.041 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 12.8 t-105 -79.25 -19.93 49.43 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 111.767 -2.47 . . . . 0.0 108.905 176.916 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.64 -19.04 24.1 Favored 'General case' 0 CA--C 1.495 -1.159 0 N-CA-C 105.468 -2.049 . . . . 0.0 105.468 174.84 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.59 -33.2 23.42 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 111.317 -2.674 . . . . 0.0 106.943 175.643 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -80.88 -27.1 36.44 Favored 'General case' 0 CA--C 1.487 -1.463 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 176.772 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.39 -17.52 39.08 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 111.72 -2.491 . . . . 0.0 107.027 174.891 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.01 -27.89 19.45 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 175.174 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.32 -29.04 28.62 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 176.185 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.6 -19.5 35.4 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 112.29 -2.232 . . . . 0.0 109.078 175.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -31.64 19.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 104.352 -2.462 . . . . 0.0 104.352 175.765 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.24 -44.62 62.61 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 112.739 -2.028 . . . . 0.0 106.373 174.406 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.85 -13.58 62.09 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 112.529 -2.123 . . . . 0.0 110.686 177.036 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.21 -27.89 32.3 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 124.514 1.126 . . . . 0.0 109.138 178.425 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 tt -78.73 -41.26 31.32 Favored 'General case' 0 CA--C 1.516 -0.327 0 C-N-CA 126.494 1.918 . . . . 0.0 108.377 179.75 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -74.32 -22.25 59.34 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 112.549 -2.114 . . . . 0.0 107.011 175.653 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -83.28 -35.5 25.24 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 112.831 -1.986 . . . . 0.0 107.911 174.477 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.39 -35.6 71.11 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 174.928 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.51 -0.566 0 CA-C-N 112.106 -2.316 . . . . 0.0 109.878 176.437 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 CA--C 1.538 0.495 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.25 -15.75 14.41 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.9 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.5 mt -97.05 -69.9 0.74 Allowed 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.335 0.654 . . . . 0.0 111.847 -178.698 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -61.41 -12.73 15.59 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.16 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -95.98 -41.9 8.54 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.301 1.04 . . . . 0.0 109.674 178.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -75.89 -12.69 60.2 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.931 177.752 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.53 -45.71 7.63 Favored 'General case' 0 CA--C 1.497 -1.067 0 C-N-CA 125.956 1.703 . . . . 0.0 106.861 178.399 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.29 -16.71 63.85 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 113.619 -1.628 . . . . 0.0 110.097 176.495 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.82 -27.05 15.95 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.554 177.604 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -88.33 -12.99 41.86 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.908 179.315 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -94.95 -32.23 13.28 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 126.205 1.802 . . . . 0.0 106.708 178.507 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -30.39 36.16 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 112.658 -2.064 . . . . 0.0 107.277 175.859 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -88.29 -14.47 38.24 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.906 176.675 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.04 -29.07 22.21 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 124.43 1.092 . . . . 0.0 110.98 179.641 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -18.69 31.06 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 112.959 -1.928 . . . . 0.0 106.553 177.795 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.59 -21.52 18.19 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 112.656 -2.066 . . . . 0.0 108.118 177.941 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.79 -42.52 10.06 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 177.003 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -72.73 -27.41 62.03 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.044 -1.435 . . . . 0.0 109.637 176.81 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -79.99 -18.99 48.85 Favored 'General case' 0 C--N 1.345 0.378 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 174.036 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -93.24 -25.93 17.58 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 113.457 -1.701 . . . . 0.0 108.855 177.016 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -88.42 -16.36 33.06 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 114.341 -1.299 . . . . 0.0 108.576 177.744 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.94 -21.22 19.93 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 176.048 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.03 -37.16 22.49 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-N 112.913 -1.949 . . . . 0.0 106.645 176.212 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 6.8 tp -78.24 -28.11 47.77 Favored 'General case' 0 C--O 1.204 -1.306 0 CA-C-N 111.963 -2.381 . . . . 0.0 108.32 176.586 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.45 -20.44 34.06 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 177.314 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.1 -31.66 17.91 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 112.97 -1.923 . . . . 0.0 107.938 176.218 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -87.01 -19.44 28.68 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.222 177.007 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mt -59.45 -60.61 3.58 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.453 178.731 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -43.06 9.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.851 179.462 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.18 0 C-N-CA 124.379 1.071 . . . . 0.0 112.204 -179.913 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 21.8 ptt? . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 120.805 0.336 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -119.03 0.36 11.28 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 122.984 0.514 . . . . 0.0 110.985 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.09 -42.14 10.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.843 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 tt -95.63 -61.15 1.51 Allowed 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.03 -1.441 . . . . 0.0 109.555 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -31.14 66.77 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 113.455 -1.702 . . . . 0.0 112.489 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -92.4 -12.35 32.45 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 124.224 0.953 . . . . 0.0 110.342 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.88 -21.77 22.36 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 175.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tt -90.41 -35.72 15.0 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 111.376 -2.647 . . . . 0.0 106.926 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.5 -20.33 51.04 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 113.337 -1.756 . . . . 0.0 107.814 176.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.38 -29.14 19.3 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 176.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -81.03 -20.15 42.3 Favored 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 125.522 1.764 . . . . 0.0 106.997 176.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.89 -34.72 26.62 Favored 'General case' 0 N--CA 1.421 -1.888 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 175.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -79.16 -19.27 51.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 111.724 -2.489 . . . . 0.0 108.764 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.65 -19.04 24.09 Favored 'General case' 0 CA--C 1.495 -1.144 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.08 -32.38 22.86 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 111.177 -2.738 . . . . 0.0 106.984 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -82.69 -26.23 32.24 Favored 'General case' 0 CA--C 1.49 -1.36 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.36 -16.25 40.51 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 111.773 -2.467 . . . . 0.0 107.003 174.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.06 -26.77 21.22 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.42 -30.14 22.32 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 113.579 -1.646 . . . . 0.0 106.618 176.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.2 -18.66 38.51 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 112.573 -2.103 . . . . 0.0 108.856 175.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.48 -31.14 20.14 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 104.402 -2.444 . . . . 0.0 104.402 175.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tt -73.79 -42.41 61.03 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 112.563 -2.108 . . . . 0.0 106.149 174.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.12 -13.2 60.79 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 113.409 -1.723 . . . . 0.0 110.484 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.87 -27.07 44.02 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.607 1.163 . . . . 0.0 109.373 178.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 tt -76.56 -45.89 28.58 Favored 'General case' 0 C--O 1.212 -0.888 0 C-N-CA 126.039 1.736 . . . . 0.0 106.952 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.93 -21.35 62.37 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 112.992 -1.913 . . . . 0.0 107.351 174.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -78.27 -25.6 46.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 113.651 -1.613 . . . . 0.0 106.647 173.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.58 -36.31 12.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 113.916 -1.493 . . . . 0.0 108.954 175.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.58 -55.25 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 113.778 -1.555 . . . . 0.0 113.936 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.77 -44.08 13.65 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -176.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.23 -4.87 31.99 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -85.67 -42.49 14.24 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.263 0.225 . . . . 0.0 111.273 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -113.05 128.63 56.55 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.416 0.448 . . . . 0.0 110.767 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 84.9 m -128.62 -51.69 1.26 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.197 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 tp -148.91 -42.47 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 O-C-N 123.275 0.36 . . . . 0.0 111.178 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 82.7 m -133.18 152.02 51.95 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.307 0.379 . . . . 0.0 111.078 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -100.04 141.82 32.35 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 pp -108.48 157.53 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.274 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -94.84 123.03 38.06 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -132.8 153.29 51.4 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.595 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.4 m -97.01 126.8 42.4 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 40.2 p -129.64 151.46 50.22 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.074 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -96.47 -39.61 9.49 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.266 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -97.26 150.07 21.34 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.449 0.468 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.52 113.37 63.32 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.263 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -67.64 163.36 35.4 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.536 2.157 . . . . 0.0 112.736 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 16.1 mt -101.51 -65.07 1.0 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 41.53 92.64 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.715 1.206 . . . . 0.0 112.767 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 71.5 p -142.06 -158.96 0.91 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.114 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -97.62 -39.17 9.23 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.001 0.52 . . . . 0.0 110.485 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -76.82 -7.89 56.3 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.075 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.1 -24.28 11.63 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.825 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.35 -70.01 0.74 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.735 0.814 . . . . 0.0 111.832 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -61.47 -15.46 37.85 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 113.683 -1.599 . . . . 0.0 112.235 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -95.45 -38.13 10.6 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 124.392 1.077 . . . . 0.0 109.925 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -74.52 -12.78 60.56 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 122.013 0.911 . . . . 0.0 109.534 176.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.79 -43.34 8.66 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-N 113.032 -1.895 . . . . 0.0 106.666 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.15 -15.95 63.53 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 113.038 -1.892 . . . . 0.0 110.273 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.35 -26.78 15.76 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.665 1.186 . . . . 0.0 107.919 177.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.5 -45.1 32.36 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 113.791 -1.549 . . . . 0.0 109.198 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.56 -30.9 69.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 113.26 -1.791 . . . . 0.0 108.005 176.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -76.56 -28.53 56.31 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -76.5 -28.65 56.52 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 113.526 -1.67 . . . . 0.0 108.995 175.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mp -69.56 -49.57 53.05 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-O 123.166 1.46 . . . . 0.0 108.864 176.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.89 -25.95 0.88 Allowed 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 113.499 -1.682 . . . . 0.0 108.504 176.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.69 -37.76 8.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 112.154 -2.294 . . . . 0.0 112.241 176.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.68 -47.07 11.6 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 124.138 0.975 . . . . 0.0 109.74 -177.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -67.08 -31.23 71.58 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.071 176.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -81.26 -15.93 54.12 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 174.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.12 -23.73 19.34 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 114.254 -1.339 . . . . 0.0 107.524 175.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -88.91 -16.64 31.37 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 113.651 -1.613 . . . . 0.0 107.806 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.16 -22.06 19.29 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 176.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.6 -36.12 24.16 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-N 113.021 -1.899 . . . . 0.0 106.409 176.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 11.6 tp -76.42 -29.8 57.18 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 111.849 -2.432 . . . . 0.0 108.171 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.14 -19.95 35.69 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 177.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -87.99 -31.63 19.25 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 112.939 -1.937 . . . . 0.0 107.359 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -85.66 -16.52 38.85 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.43 -1.259 . . . . 0.0 109.649 176.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.92 -60.05 3.99 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.137 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -83.65 -44.4 14.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.617 -1.174 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.284 -179.763 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.13 0.491 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -119.19 -2.68 10.66 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.576 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.05 -44.7 8.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.304 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -96.37 -51.67 4.28 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.37 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -31.65 72.74 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 113.84 -1.527 . . . . 0.0 112.206 -178.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -93.0 -11.33 33.42 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.323 1.014 . . . . 0.0 110.071 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.11 -24.55 22.22 Favored 'General case' 0 C--O 1.227 -0.081 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 175.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -93.75 -20.17 20.37 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 112.037 -2.347 . . . . 0.0 107.157 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.07 -19.92 22.63 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 106.576 -1.638 . . . . 0.0 106.576 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.75 -29.49 18.67 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 113.061 -1.881 . . . . 0.0 106.008 175.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -81.81 -19.56 40.91 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 125.534 1.771 . . . . 0.0 106.798 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.66 -34.09 27.57 Favored 'General case' 0 N--CA 1.422 -1.847 0 N-CA-C 105.17 -2.159 . . . . 0.0 105.17 175.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -79.38 -18.93 51.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 111.601 -2.545 . . . . 0.0 108.729 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.05 -19.48 24.32 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.94 -31.82 23.4 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 111.09 -2.777 . . . . 0.0 107.016 175.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -82.89 -25.89 32.05 Favored 'General case' 0 CA--C 1.489 -1.389 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 176.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.73 -17.16 39.22 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 111.827 -2.442 . . . . 0.0 106.907 174.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -88.4 -27.42 21.59 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 174.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.65 -31.1 24.36 Favored 'General case' 0 CA--C 1.498 -1.039 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 176.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.55 -17.32 48.83 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 112.508 -2.133 . . . . 0.0 108.97 175.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.23 -29.42 20.46 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 104.465 -2.42 . . . . 0.0 104.465 175.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 tt -78.11 -40.55 37.95 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 112.416 -2.175 . . . . 0.0 106.715 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.52 -12.46 59.96 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 113.262 -1.79 . . . . 0.0 110.224 177.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -30.3 69.21 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 124.534 1.134 . . . . 0.0 109.342 178.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mp -71.96 -52.18 18.41 Favored 'General case' 0 C--O 1.2 -1.551 0 CA-C-N 113.746 -1.57 . . . . 0.0 107.762 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.96 -18.9 65.66 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 113.136 -1.847 . . . . 0.0 108.02 175.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -84.26 -26.89 28.29 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 113.11 -1.859 . . . . 0.0 107.301 173.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.82 -38.59 10.68 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.151 -1.386 . . . . 0.0 109.19 175.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.47 -52.33 6.6 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 113.645 -1.616 . . . . 0.0 113.239 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.23 -43.43 12.97 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 -177.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.68 -42.33 34.93 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -91.35 -35.15 14.58 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.051 0.219 . . . . 0.0 111.388 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 64.27 129.8 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.922 0.889 . . . . 0.0 112.345 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 79.0 m -132.63 150.9 52.09 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.619 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.5 pp -127.57 -49.97 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.972 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 57.6 m -136.32 -44.76 0.62 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.182 0.301 . . . . 0.0 111.539 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -97.19 138.83 34.08 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.315 0.384 . . . . 0.0 111.185 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 pp -140.76 111.33 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.195 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -133.26 117.54 17.5 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.709 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -138.73 -43.35 0.48 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.2 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 49.4 t -119.46 -37.97 3.08 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 123.421 0.451 . . . . 0.0 111.331 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 50.9 m -92.38 155.53 17.83 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.388 0.43 . . . . 0.0 111.179 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -126.09 -38.82 2.13 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.891 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 63.9 mtt -105.5 -52.3 2.85 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.247 0.342 . . . . 0.0 111.845 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.12 103.55 12.78 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.89 154.06 33.51 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.581 2.187 . . . . 0.0 112.507 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 15.9 mt -95.55 -14.63 23.45 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.605 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -106.39 128.26 53.9 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.682 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 61.0 p -106.44 -119.77 0.24 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.294 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -97.66 -45.86 6.22 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.371 0.268 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -92.31 -9.84 40.52 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.13 -6.99 7.5 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 10.1 mt -95.11 -68.52 0.8 Allowed 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 124.263 1.025 . . . . 0.0 110.394 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -56.77 -14.86 3.73 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.915 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -95.66 -40.16 9.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 124.618 1.167 . . . . 0.0 109.294 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -75.82 -12.53 60.19 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 122.03 0.919 . . . . 0.0 109.709 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.29 -43.98 8.54 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 113.084 -1.871 . . . . 0.0 106.922 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.99 -16.33 64.0 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 113.298 -1.774 . . . . 0.0 109.967 176.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.09 -25.82 16.29 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 177.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 61.6 tp -77.56 -40.04 43.76 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 113.812 -1.54 . . . . 0.0 110.091 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -73.05 -31.24 64.29 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 111.851 -2.431 . . . . 0.0 108.047 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -78.92 -31.64 45.32 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 113.208 -1.815 . . . . 0.0 106.508 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -82.0 -14.72 55.58 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 113.764 -1.562 . . . . 0.0 109.606 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 tp -82.86 -33.69 26.99 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 124.877 1.271 . . . . 0.0 110.708 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -18.52 40.02 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 112.374 -2.194 . . . . 0.0 106.731 177.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.6 -20.34 19.68 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 112.36 -2.2 . . . . 0.0 106.555 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.98 -40.82 15.44 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 112.923 -1.944 . . . . 0.0 105.987 175.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -74.84 -29.49 61.06 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 113.384 -1.734 . . . . 0.0 108.235 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -78.29 -26.17 46.93 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 174.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.95 -20.14 29.39 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 125.132 1.52 . . . . 0.0 107.944 176.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -87.27 -13.97 42.26 Favored 'General case' 0 C--N 1.343 0.323 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.16 -25.05 18.02 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 112.619 -2.082 . . . . 0.0 106.74 176.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -85.57 -29.42 24.15 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.1 tp -80.77 -29.85 36.13 Favored 'General case' 0 C--O 1.206 -1.221 0 CA-C-N 111.875 -2.42 . . . . 0.0 107.903 176.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.3 -20.28 37.77 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -89.08 -31.4 18.05 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 112.887 -1.961 . . . . 0.0 107.985 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -87.61 -19.13 28.2 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.972 176.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mt -56.88 -60.23 3.88 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.428 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -88.87 -42.37 11.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.539 -1.21 . . . . 0.0 111.607 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.236 0 C-N-CA 124.302 1.041 . . . . 0.0 112.334 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.144 0.497 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -122.88 0.67 9.23 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.108 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.83 -44.82 8.73 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.831 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 tt -95.48 -57.45 2.39 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 125.175 1.39 . . . . 0.0 109.541 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -31.89 66.61 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 113.508 -1.678 . . . . 0.0 112.282 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -93.04 -11.56 32.76 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 124.282 0.989 . . . . 0.0 109.987 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.97 -23.56 21.5 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 175.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -93.65 -21.07 19.61 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 111.824 -2.443 . . . . 0.0 107.145 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.09 -18.68 24.14 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 175.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -28.75 17.32 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 175.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -82.53 -17.67 44.18 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 125.526 1.766 . . . . 0.0 106.988 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.75 -31.35 26.03 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 174.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -82.47 -23.03 34.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 110.629 -2.987 . . . . 0.0 109.201 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -90.45 -20.31 22.9 Favored 'General case' 0 CA--C 1.494 -1.184 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 175.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 tp -79.4 -37.3 37.55 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 111.631 -2.531 . . . . 0.0 106.578 175.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -34.05 66.18 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 112.681 -2.054 . . . . 0.0 106.996 176.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.79 -15.7 53.37 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 111.709 -2.496 . . . . 0.0 107.718 175.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -88.67 -25.92 22.12 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 174.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.26 -30.07 22.62 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 113.471 -1.695 . . . . 0.0 106.66 176.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.41 -18.46 35.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 112.375 -2.193 . . . . 0.0 108.811 176.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.49 -30.97 20.23 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 104.408 -2.442 . . . . 0.0 104.408 175.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 tt -73.33 -41.79 63.07 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 112.589 -2.096 . . . . 0.0 106.065 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.65 -13.58 60.65 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 113.377 -1.738 . . . . 0.0 110.439 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.96 -27.33 43.49 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.437 1.095 . . . . 0.0 109.57 178.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.74 -35.23 60.27 Favored 'General case' 0 CA--C 1.498 -1.024 0 C-N-CA 125.756 1.623 . . . . 0.0 108.62 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -82.59 -20.23 36.86 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 111.645 -2.525 . . . . 0.0 106.56 175.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -81.69 -24.41 36.24 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 113.163 -1.835 . . . . 0.0 106.763 173.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.17 -35.82 12.95 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.034 -1.439 . . . . 0.0 108.516 175.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.71 -55.4 4.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 113.584 -1.643 . . . . 0.0 113.588 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.26 -44.48 12.11 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -176.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.48 -4.69 31.9 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 -75.8 -42.13 50.91 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.366 0.266 . . . . 0.0 111.684 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -119.66 134.64 55.15 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.421 0.451 . . . . 0.0 110.215 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 81.7 m -98.0 -57.77 2.14 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.482 0.489 . . . . 0.0 111.134 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -150.29 -57.37 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 O-C-N 123.221 0.326 . . . . 0.0 111.515 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 25.0 p -142.91 -21.19 0.65 Allowed 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.303 0.377 . . . . 0.0 111.856 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -86.74 139.22 30.95 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.239 0.337 . . . . 0.0 111.506 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 tp -124.01 -35.0 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 64.76 153.92 0.06 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.083 0.953 . . . . 0.0 112.209 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 65.0 152.43 0.05 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.121 0.968 . . . . 0.0 112.209 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 82.3 m -92.88 153.83 18.58 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.164 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 89.7 p 53.24 109.14 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.373 1.069 . . . . 0.0 112.619 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -121.11 -37.24 2.98 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.274 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 67.5 mtt 65.29 150.12 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.926 0.891 . . . . 0.0 112.075 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.66 109.95 44.23 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.303 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.38 161.7 36.83 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 122.585 2.19 . . . . 0.0 112.899 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 19.0 mt -90.61 -11.89 38.58 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.875 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -93.64 96.6 9.93 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.704 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 53.0 p -148.98 -67.22 0.22 Allowed 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.426 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -98.7 -70.11 0.74 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -87.26 -8.91 56.26 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.82 -19.16 13.51 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tt -96.7 -69.4 0.76 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.926 0.89 . . . . 0.0 110.894 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -60.29 -14.38 17.83 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 114.727 -1.124 . . . . 0.0 112.162 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -95.49 -39.01 10.19 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.387 1.075 . . . . 0.0 109.558 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -75.35 -12.69 60.32 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 122.0 0.905 . . . . 0.0 109.459 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 mp -93.29 -43.87 8.59 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 113.043 -1.89 . . . . 0.0 106.678 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.06 -19.29 65.92 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 113.1 -1.864 . . . . 0.0 109.845 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.08 -25.75 17.04 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.31 -1.314 . . . . 0.0 108.368 177.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -86.68 -11.39 51.39 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.424 -1.262 . . . . 0.0 109.464 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -95.16 -32.28 13.14 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 112.974 -1.921 . . . . 0.0 106.16 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -29.87 34.28 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 112.844 -1.98 . . . . 0.0 107.115 175.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -83.66 -13.52 53.99 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 114.251 -1.34 . . . . 0.0 109.254 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 tt -80.0 -38.0 33.03 Favored 'General case' 0 C--O 1.216 -0.69 0 C-N-CA 124.938 1.295 . . . . 0.0 109.919 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -71.59 -26.27 62.53 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 112.856 -1.974 . . . . 0.0 107.963 175.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.0 -21.72 24.67 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 110.049 -3.251 . . . . 0.0 108.024 178.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.84 -38.84 17.69 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 105.696 -1.964 . . . . 0.0 105.696 176.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -74.94 -30.07 61.13 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 112.819 -1.991 . . . . 0.0 108.393 177.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -77.86 -25.58 48.77 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -86.16 -21.89 27.31 Favored 'General case' 0 C--N 1.347 0.482 0 CA-C-N 113.766 -1.561 . . . . 0.0 108.104 176.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -86.3 -13.66 45.96 Favored 'General case' 0 C--N 1.34 0.184 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 175.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.02 -24.11 18.45 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 112.746 -2.024 . . . . 0.0 106.383 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -85.06 -30.39 24.14 Favored 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 tp -80.84 -29.02 35.92 Favored 'General case' 0 C--O 1.207 -1.144 0 CA-C-N 111.712 -2.495 . . . . 0.0 108.031 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.52 -20.24 37.12 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 176.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -88.86 -32.81 17.6 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 112.814 -1.994 . . . . 0.0 107.991 176.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 58.9 mttt -87.35 -16.54 34.73 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.538 -1.21 . . . . 0.0 110.13 176.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.83 -59.84 4.44 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.462 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -83.04 -41.23 18.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.592 -1.185 . . . . 0.0 112.095 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.324 -179.903 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 120.657 0.265 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -113.8 -2.48 13.66 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.027 0.531 . . . . 0.0 111.11 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.18 -40.29 11.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.116 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 tt -95.78 -62.09 1.35 Allowed 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.301 -1.318 . . . . 0.0 109.938 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -32.13 68.82 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 113.448 -1.706 . . . . 0.0 112.615 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -93.83 -11.41 31.26 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 124.153 0.908 . . . . 0.0 110.638 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -22.83 22.66 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 175.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -92.06 -30.93 15.76 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 111.584 -2.553 . . . . 0.0 106.874 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.52 -17.28 39.47 Favored 'General case' 0 CA--C 1.509 -0.615 0 O-C-N 125.04 1.463 . . . . 0.0 107.149 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -28.65 23.21 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 174.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -84.17 -18.93 35.07 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 112.921 -1.945 . . . . 0.0 107.542 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.28 -22.41 23.92 Favored 'General case' 0 CA--C 1.495 -1.149 0 N-CA-C 105.096 -2.187 . . . . 0.0 105.096 174.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -86.77 -25.02 24.87 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 110.954 -2.839 . . . . 0.0 108.683 176.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.65 -19.99 23.02 Favored 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -81.43 -33.89 31.84 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 111.772 -2.467 . . . . 0.0 106.568 175.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.81 -35.06 60.16 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 126.454 1.902 . . . . 0.0 106.623 177.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.14 -23.64 51.68 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-N 111.473 -2.603 . . . . 0.0 107.101 175.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.99 -22.94 28.92 Favored 'General case' 0 C--O 1.213 -0.844 0 O-C-N 124.987 1.429 . . . . 0.0 107.209 176.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -89.14 -19.55 25.36 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 174.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -14.03 35.28 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 112.18 -2.282 . . . . 0.0 108.343 174.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -97.38 -42.81 7.58 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.94 -51.38 8.12 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 111.781 -2.463 . . . . 0.0 113.076 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.57 -12.21 32.37 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -28.52 17.58 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 118.346 0.521 . . . . 0.0 109.836 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tt -75.36 -35.82 61.06 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 126.411 1.885 . . . . 0.0 107.608 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.41 -33.98 71.99 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 111.552 -2.567 . . . . 0.0 107.222 175.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -77.24 -34.43 55.86 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 111.84 -2.436 . . . . 0.0 108.734 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.4 -34.28 67.77 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 175.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.81 -48.8 62.67 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 112.178 -2.283 . . . . 0.0 109.779 176.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -39.45 89.35 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 113.445 -1.707 . . . . 0.0 111.986 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.95 -17.29 61.5 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.67 -1.15 . . . . 0.0 112.55 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -94.13 -47.82 6.49 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 123.288 0.368 . . . . 0.0 110.682 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 66.15 -66.18 0.17 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.36 1.064 . . . . 0.0 112.19 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 49.6 t -135.49 153.75 51.64 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 122.412 0.285 . . . . 0.0 110.883 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 pp -95.81 130.49 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.359 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 83.7 m -132.48 151.98 51.7 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.841 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -96.98 109.67 22.37 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.3 pp -149.59 -44.48 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.379 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -130.35 130.35 44.31 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.362 0.414 . . . . 0.0 110.584 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -126.99 128.31 46.17 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.972 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.0 m -130.41 -45.44 1.1 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.062 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 48.0 m -133.47 129.37 37.14 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.839 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -131.38 -41.19 1.1 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.612 0.57 . . . . 0.0 111.345 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.5 -1.27 51.04 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 123.392 0.433 . . . . 0.0 111.657 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.66 -46.82 0.48 Allowed Pre-proline 0 CA--C 1.545 0.78 0 CA-C-O 118.692 -0.671 . . . . 0.0 112.585 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -77.98 152.18 28.02 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.294 1.996 . . . . 0.0 112.822 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -122.74 -37.07 2.8 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.574 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -89.9 100.67 13.44 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.284 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 51.6 m -149.65 -59.88 0.21 Allowed 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.013 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -98.13 -70.64 0.72 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.115 0.784 . . . . 0.0 113.115 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -92.75 -45.51 8.0 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.04 -6.54 0.25 Allowed 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.8 mt -94.64 -68.39 0.8 Allowed 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.026 0.93 . . . . 0.0 109.864 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -59.83 -12.25 7.08 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 114.436 -1.256 . . . . 0.0 111.603 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -95.6 -41.3 8.99 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.689 1.196 . . . . 0.0 109.274 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -75.16 -12.63 60.34 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.865 0.841 . . . . 0.0 109.834 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -93.33 -44.17 8.43 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 113.291 -1.777 . . . . 0.0 106.812 178.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.57 -19.26 65.85 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 113.132 -1.849 . . . . 0.0 109.902 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.38 -25.99 17.45 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.352 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -86.16 -11.0 53.72 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.515 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -94.61 -29.43 14.86 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 113.279 -1.782 . . . . 0.0 106.623 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -29.21 23.88 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 112.427 -2.169 . . . . 0.0 107.223 175.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -89.0 -13.98 37.59 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 114.402 -1.272 . . . . 0.0 110.723 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 11.6 tp -82.53 -30.81 29.51 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 124.771 1.228 . . . . 0.0 111.396 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.43 -18.84 34.66 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 126.762 2.025 . . . . 0.0 106.686 177.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.34 -17.46 21.6 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 112.161 -2.291 . . . . 0.0 106.688 177.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.47 -43.05 9.93 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 176.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -74.43 -27.1 60.46 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 113.74 -1.573 . . . . 0.0 109.313 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -80.42 -19.35 46.4 Favored 'General case' 0 C--N 1.344 0.339 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 174.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -93.5 -26.08 17.32 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 113.479 -1.691 . . . . 0.0 109.072 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -88.41 -15.75 34.67 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 114.429 -1.259 . . . . 0.0 108.758 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.94 -21.12 19.99 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 175.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -36.95 21.42 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 112.747 -2.024 . . . . 0.0 106.75 176.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 8.7 tp -77.65 -28.57 51.32 Favored 'General case' 0 C--O 1.204 -1.324 0 CA-C-N 112.015 -2.357 . . . . 0.0 108.325 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.0 -21.48 33.88 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 106.576 -1.638 . . . . 0.0 106.576 177.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.5 -31.72 21.16 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 112.731 -2.031 . . . . 0.0 107.744 176.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -88.21 -16.36 33.49 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.115 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 61.6 tp -61.35 -59.7 4.87 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.371 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -88.11 -42.44 12.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.112 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.066 -0.969 . . . . 0.0 111.176 -179.701 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 111.271 0.1 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -82.68 -1.26 50.71 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 123.354 0.662 . . . . 0.0 111.678 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.41 -16.18 26.25 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.9 1.28 . . . . 0.0 109.551 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tt -92.09 -46.95 7.51 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 113.739 -1.573 . . . . 0.0 106.88 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.08 -25.93 65.58 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 112.983 -1.917 . . . . 0.0 108.982 176.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -89.45 -16.32 31.11 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 113.907 -1.497 . . . . 0.0 110.423 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -22.75 23.31 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -90.75 -31.13 16.66 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 111.867 -2.424 . . . . 0.0 106.946 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.93 -19.66 36.82 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 113.28 -1.782 . . . . 0.0 107.872 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.71 -22.41 19.42 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 176.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -86.09 -21.5 27.64 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 113.015 -1.902 . . . . 0.0 106.621 175.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.36 -34.9 21.7 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 113.241 -1.8 . . . . 0.0 106.849 176.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 7.4 t-105 -79.22 -19.84 49.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 111.519 -2.582 . . . . 0.0 107.949 176.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.46 -32.35 20.87 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 175.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.94 -31.54 64.67 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 111.529 -2.578 . . . . 0.0 106.968 176.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -32.89 39.45 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 112.997 -1.91 . . . . 0.0 107.656 177.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.08 -18.32 47.0 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 111.976 -2.374 . . . . 0.0 108.238 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.86 -38.31 19.63 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 176.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.96 -43.89 61.75 Favored 'General case' 0 C--O 1.204 -1.291 0 CA-C-N 111.813 -2.449 . . . . 0.0 106.086 174.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -65.97 -12.56 55.83 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.057 -1.428 . . . . 0.0 108.394 176.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.71 -35.08 10.68 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 174.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.72 -53.31 4.47 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 113.409 -1.723 . . . . 0.0 111.959 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.63 -13.39 56.58 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.17 -21.67 18.93 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.38 -35.45 73.52 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 126.329 1.852 . . . . 0.0 107.627 176.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.95 -23.98 52.38 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 112.003 -2.362 . . . . 0.0 107.207 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -83.98 -35.08 24.2 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 112.593 -2.094 . . . . 0.0 107.807 175.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.43 -33.09 62.87 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 106.098 -1.816 . . . . 0.0 106.098 175.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.69 -45.44 65.01 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 112.499 -2.137 . . . . 0.0 109.134 176.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.06 -38.69 92.18 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 114.781 -1.1 . . . . 0.0 111.759 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.8 -4.86 45.7 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.352 -1.295 . . . . 0.0 112.663 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 18.2 t-105 -83.04 -15.49 50.82 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.494 0.317 . . . . 0.0 111.539 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -97.32 -33.58 11.38 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.338 0.399 . . . . 0.0 111.321 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 48.9 t -92.78 159.38 15.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.019 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.0 mp 68.61 142.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 123.705 0.802 . . . . 0.0 110.796 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 84.6 m -93.21 -42.35 9.41 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.637 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -101.31 114.3 28.15 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 123.33 0.394 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 pp -147.41 134.41 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.172 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -109.32 124.04 50.29 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -133.95 -46.81 0.79 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.077 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 35.3 t -134.06 153.42 51.81 Favored 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.405 0.441 . . . . 0.0 110.813 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 16.0 t -97.32 -43.5 7.29 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.353 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -98.97 151.84 20.45 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.33 0.393 . . . . 0.0 111.021 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.23 115.91 28.17 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.146 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.32 158.05 64.79 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.25 -71.4 0.04 OUTLIER 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.522 2.148 . . . . 0.0 113.074 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 5.9 mt 65.08 -14.83 0.1 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.605 1.162 . . . . 0.0 113.743 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 55.64 149.03 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.536 1.534 . . . . 0.0 113.755 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 7.7 t -124.61 -17.62 5.91 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.474 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -97.87 -47.87 5.39 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -92.49 -8.44 44.58 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.076 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.31 -20.75 13.03 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -178.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tt -97.49 -69.61 0.75 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.246 0.618 . . . . 0.0 111.477 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -62.08 -14.56 37.54 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 114.58 -1.191 . . . . 0.0 112.39 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -95.77 -40.36 9.39 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.402 1.081 . . . . 0.0 109.707 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -75.53 -12.49 60.24 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-O 121.81 0.814 . . . . 0.0 109.812 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -93.23 -44.56 8.27 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 113.325 -1.762 . . . . 0.0 106.765 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.68 -18.59 65.44 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 113.368 -1.742 . . . . 0.0 110.044 176.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.66 -25.31 17.54 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 114.439 -1.255 . . . . 0.0 108.225 177.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -87.26 -14.06 42.03 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.12 -1.4 . . . . 0.0 109.668 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -94.98 -32.6 13.1 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 126.329 1.852 . . . . 0.0 106.482 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -29.73 42.17 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 112.547 -2.115 . . . . 0.0 107.033 175.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -85.65 -14.49 45.37 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.064 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.09 -17.21 28.13 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 124.557 1.143 . . . . 0.0 109.644 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.23 -19.89 18.97 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 126.233 1.813 . . . . 0.0 106.175 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.28 -27.87 15.27 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 112.115 -2.311 . . . . 0.0 108.33 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.67 -41.97 12.99 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -66.12 -30.58 71.1 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.374 175.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -77.09 -27.83 54.3 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 174.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.92 -20.14 29.45 Favored 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 125.015 1.447 . . . . 0.0 108.266 177.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -86.63 -13.7 44.86 Favored 'General case' 0 C--N 1.346 0.427 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 174.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.11 -24.75 18.17 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 112.674 -2.057 . . . . 0.0 106.538 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -85.71 -29.84 23.61 Favored 'General case' 0 CA--C 1.497 -1.079 0 N-CA-C 106.206 -1.776 . . . . 0.0 106.206 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.7 tp -80.86 -29.27 35.82 Favored 'General case' 0 C--O 1.205 -1.277 0 CA-C-N 111.948 -2.387 . . . . 0.0 108.01 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.77 -20.41 35.93 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 176.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -89.21 -31.38 17.94 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 112.796 -2.002 . . . . 0.0 107.988 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -87.95 -18.84 28.21 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.105 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -56.51 -59.95 4.24 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.46 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -81.78 -41.36 21.27 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.461 -1.245 . . . . 0.0 112.113 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.285 -179.873 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 111.352 0.13 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -80.04 -2.05 42.51 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.559 0.744 . . . . 0.0 111.855 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.08 -18.32 23.75 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.992 1.317 . . . . 0.0 109.62 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -92.5 -36.71 12.92 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 113.796 -1.547 . . . . 0.0 107.552 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.26 -23.61 47.23 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 113.2 -1.818 . . . . 0.0 108.024 176.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -88.53 -17.71 29.67 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 113.329 -1.76 . . . . 0.0 109.579 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.08 -24.08 22.37 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 106.514 -1.662 . . . . 0.0 106.514 177.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.55 -18.67 21.99 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 112.333 -2.212 . . . . 0.0 107.013 177.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.06 -20.99 21.46 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.61 -29.77 17.59 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 112.976 -1.92 . . . . 0.0 106.092 176.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -82.47 -18.68 40.84 Favored 'General case' 0 CA--C 1.508 -0.658 0 O-C-N 125.398 1.686 . . . . 0.0 106.807 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.23 -34.19 28.97 Favored 'General case' 0 N--CA 1.423 -1.785 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 174.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -79.52 -19.64 49.11 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 111.485 -2.598 . . . . 0.0 108.814 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.53 -18.87 24.51 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 174.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.92 -32.22 23.22 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-N 111.233 -2.712 . . . . 0.0 106.939 175.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -82.2 -26.59 33.2 Favored 'General case' 0 CA--C 1.49 -1.363 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.83 -16.89 39.84 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 111.753 -2.476 . . . . 0.0 106.973 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.53 -26.47 20.86 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.56 -29.95 23.75 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 106.444 -1.687 . . . . 0.0 106.444 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.61 -19.01 39.21 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 112.447 -2.16 . . . . 0.0 108.944 175.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.14 -30.12 20.05 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 104.475 -2.417 . . . . 0.0 104.475 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 tt -75.06 -42.99 55.86 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 112.599 -2.091 . . . . 0.0 105.979 174.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.16 -12.88 61.38 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 113.518 -1.674 . . . . 0.0 110.343 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.66 -27.88 40.83 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 124.518 1.127 . . . . 0.0 109.234 178.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.69 -32.32 46.97 Favored 'General case' 0 CA--C 1.5 -0.949 0 C-N-CA 125.756 1.623 . . . . 0.0 109.183 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -84.36 -18.9 34.65 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 111.587 -2.551 . . . . 0.0 106.351 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -85.05 -26.19 27.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 112.738 -2.028 . . . . 0.0 107.188 173.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.08 -31.55 17.09 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 114.461 -1.245 . . . . 0.0 107.799 175.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.37 -54.94 4.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 113.344 -1.753 . . . . 0.0 113.007 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.04 -46.26 8.61 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -176.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.39 -4.96 24.95 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -90.95 -29.08 17.64 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.245 0.218 . . . . 0.0 111.32 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -85.94 2.77 44.84 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.427 0.454 . . . . 0.0 111.898 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 49.6 t -90.74 153.72 20.06 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.986 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 tp -92.22 132.18 37.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.013 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 83.7 m -130.01 151.0 51.04 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -98.65 -35.51 10.16 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.679 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 tp -90.07 -39.82 12.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 O-C-N 123.345 0.403 . . . . 0.0 111.584 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -104.34 146.11 29.28 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.312 0.383 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -133.17 -47.65 0.84 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.206 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 82.4 m -133.95 149.18 51.25 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 51.7 m -124.15 -42.68 2.12 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -114.17 155.5 25.97 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.453 0.47 . . . . 0.0 110.534 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -93.47 -47.98 6.6 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.353 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.26 89.78 26.98 Favored Pre-proline 0 CA--C 1.544 0.725 0 O-C-N 123.319 0.387 . . . . 0.0 111.046 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.5 151.83 29.41 Favored 'Trans proline' 0 C--N 1.372 1.797 0 C-N-CA 122.701 2.267 . . . . 0.0 112.644 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 25.6 mt -117.63 -17.78 9.86 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.768 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -80.48 119.2 22.84 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.473 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 23.2 t -139.8 -116.04 0.14 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.43 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -98.22 -47.81 5.32 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.551 0.34 . . . . 0.0 111.201 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -87.39 -8.91 56.04 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.829 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.3 -7.08 20.26 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.1 tt -95.41 -68.57 0.79 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.184 0.994 . . . . 0.0 110.271 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -59.57 -12.98 7.55 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.586 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -95.83 -40.01 9.54 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.743 1.217 . . . . 0.0 109.48 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -75.5 -12.77 60.3 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 122.041 0.924 . . . . 0.0 109.804 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -93.44 -44.16 8.39 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 113.143 -1.844 . . . . 0.0 106.802 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.79 -16.66 64.22 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 113.204 -1.816 . . . . 0.0 110.026 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.76 -26.41 16.27 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.573 -1.194 . . . . 0.0 108.084 177.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -81.38 -28.49 34.38 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 114.139 -1.392 . . . . 0.0 109.661 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -82.88 -29.84 29.02 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 126.158 1.783 . . . . 0.0 106.837 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -27.81 45.3 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 112.717 -2.038 . . . . 0.0 105.905 174.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -77.2 -28.51 53.93 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 113.54 -1.664 . . . . 0.0 109.181 175.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -44.82 89.85 Favored 'General case' 0 C--O 1.203 -1.391 0 CA-C-O 123.524 1.63 . . . . 0.0 109.414 176.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -21.28 63.99 Favored 'General case' 0 C--N 1.29 -2.003 0 CA-C-N 112.668 -2.06 . . . . 0.0 107.896 176.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.65 -38.3 8.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 113.082 -1.872 . . . . 0.0 112.247 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.83 -40.88 14.5 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.078 0.951 . . . . 0.0 110.285 -176.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -76.18 -24.35 54.74 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 114.296 -1.32 . . . . 0.0 107.771 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -83.93 -18.07 38.59 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 173.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -90.15 -23.95 21.2 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 113.622 -1.626 . . . . 0.0 107.665 175.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -89.5 -16.15 31.4 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 113.697 -1.592 . . . . 0.0 107.672 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.04 -21.57 19.65 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.52 -35.8 24.55 Favored 'General case' 0 N--CA 1.428 -1.54 0 CA-C-N 112.97 -1.923 . . . . 0.0 106.353 175.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.4 tp -76.65 -29.45 56.41 Favored 'General case' 0 C--O 1.208 -1.094 0 CA-C-N 111.758 -2.474 . . . . 0.0 108.036 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.39 -19.76 35.45 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 177.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -88.09 -32.62 18.62 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 112.893 -1.958 . . . . 0.0 107.58 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -86.32 -15.97 38.93 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.623 176.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 39.7 tp -57.12 -59.36 5.2 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.02 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -84.11 -41.28 17.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.757 -1.11 . . . . 0.0 112.009 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.278 -179.832 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 120.998 0.427 . . . . 0.0 111.435 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.1 -3.25 12.08 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.146 0.578 . . . . 0.0 111.586 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.77 -42.64 10.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.113 -177.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -95.72 -61.14 1.51 Allowed 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.248 -1.342 . . . . 0.0 109.822 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -31.88 67.26 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 113.62 -1.627 . . . . 0.0 112.435 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -92.19 -11.87 34.33 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.096 0.872 . . . . 0.0 110.305 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.42 -20.86 23.42 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 175.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -89.9 -36.72 14.88 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 111.241 -2.709 . . . . 0.0 106.545 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.81 -19.53 51.91 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 113.139 -1.846 . . . . 0.0 107.794 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.87 -28.84 18.97 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 175.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -80.24 -21.23 43.03 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 125.407 1.692 . . . . 0.0 106.761 176.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.6 -35.25 27.25 Favored 'General case' 0 N--CA 1.42 -1.929 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 175.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -78.87 -18.83 53.28 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 111.717 -2.492 . . . . 0.0 108.724 176.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -92.53 -16.47 25.69 Favored 'General case' 0 CA--C 1.495 -1.159 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 174.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -88.9 -24.46 22.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 111.368 -2.651 . . . . 0.0 106.957 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -91.28 -29.24 17.28 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 113.37 -1.741 . . . . 0.0 106.52 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.83 -19.03 31.27 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 111.99 -2.368 . . . . 0.0 107.982 175.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tt -86.0 -34.69 20.74 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 175.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.62 -39.04 70.72 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 112.363 -2.198 . . . . 0.0 107.772 175.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -78.86 -17.26 55.92 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 112.558 -2.11 . . . . 0.0 109.276 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.38 -31.78 19.93 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 175.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.13 -44.09 55.06 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 112.545 -2.116 . . . . 0.0 106.589 174.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.21 -13.38 61.9 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 112.692 -2.049 . . . . 0.0 110.555 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.02 -26.11 36.66 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.766 1.227 . . . . 0.0 109.281 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 tt -80.92 -44.62 17.98 Favored 'General case' 0 C--O 1.209 -1.053 0 C-N-CA 126.09 1.756 . . . . 0.0 107.077 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.65 -24.07 63.57 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 125.398 1.686 . . . . 0.0 106.736 174.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -72.6 -26.78 61.82 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 113.505 -1.679 . . . . 0.0 106.544 173.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.28 -41.05 9.24 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 113.667 -1.606 . . . . 0.0 109.593 175.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.0 -55.36 4.43 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 113.97 -1.468 . . . . 0.0 114.093 -178.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -40.65 68.0 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -177.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.45 -4.76 38.58 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.561 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -84.04 -11.97 55.9 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.408 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 74.1 134.39 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.49 1.116 . . . . 0.0 111.591 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 82.6 m -91.92 -177.17 4.65 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.333 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 pt 45.25 98.85 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 124.789 1.235 . . . . 0.0 113.495 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 93.5 m -132.47 147.18 52.36 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.607 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -99.59 -39.22 8.41 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.759 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 pt -94.11 -47.78 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 63.03 126.97 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.826 0.85 . . . . 0.0 112.134 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -134.43 127.77 32.19 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.845 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 24.9 p -131.83 127.36 36.44 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.883 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 15.8 t -131.19 128.17 39.44 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -132.6 127.54 35.21 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.62 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 65.9 mtt -132.82 -42.3 0.91 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.371 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.24 -46.15 0.08 OUTLIER Pre-proline 0 CA--C 1.543 0.707 0 CA-C-O 118.674 -0.679 . . . . 0.0 112.616 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -76.89 151.89 31.66 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 122.238 1.959 . . . . 0.0 113.028 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 33.7 mt -108.54 -11.2 15.16 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.773 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -75.33 112.98 12.19 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.66 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 60.4 m -136.58 -111.03 0.19 Allowed 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.166 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -98.25 -49.44 4.7 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.608 0.242 . . . . 0.0 111.476 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -85.1 -8.1 58.8 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.011 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.01 -7.64 16.1 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -96.56 -69.15 0.77 Allowed 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.156 0.582 . . . . 0.0 112.168 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.06 -13.2 59.59 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.047 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -95.34 -37.44 10.97 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.358 1.063 . . . . 0.0 109.22 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 mmtt -76.21 -12.75 60.15 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 121.883 0.849 . . . . 0.0 109.132 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 9.1 tp -93.1 -40.27 10.6 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 113.203 -1.817 . . . . 0.0 106.787 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.78 -17.68 63.43 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 113.854 -1.521 . . . . 0.0 109.556 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.9 -25.2 16.67 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 114.096 -1.411 . . . . 0.0 108.266 177.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -87.11 -12.29 47.55 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.334 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -94.74 -32.59 13.26 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 126.045 1.738 . . . . 0.0 106.821 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -26.65 31.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 112.866 -1.97 . . . . 0.0 107.503 176.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -92.38 -13.9 29.45 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.006 176.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 6.7 tp -81.06 -40.77 23.66 Favored 'General case' 0 C--O 1.208 -1.091 0 C-N-CA 125.14 1.376 . . . . 0.0 111.418 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -17.02 55.12 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 111.691 -2.504 . . . . 0.0 107.779 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.29 -25.23 16.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 112.685 -2.052 . . . . 0.0 107.923 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.15 -42.09 12.57 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 113.729 -1.578 . . . . 0.0 106.99 177.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -71.06 -29.13 64.94 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 113.776 -1.557 . . . . 0.0 108.837 177.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.9 -28.09 55.2 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 174.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -86.22 -22.42 26.92 Favored 'General case' 0 CA--C 1.513 -0.449 0 O-C-N 125.119 1.512 . . . . 0.0 108.536 177.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -86.72 -13.62 44.84 Favored 'General case' 0 C--N 1.341 0.212 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.97 -24.96 18.21 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 112.87 -1.968 . . . . 0.0 106.557 176.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -85.9 -29.28 23.78 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 175.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.6 tp -80.82 -31.0 35.74 Favored 'General case' 0 C--O 1.208 -1.13 0 CA-C-N 111.849 -2.432 . . . . 0.0 107.949 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.68 -20.35 36.32 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 177.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -87.39 -31.78 19.92 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 113.058 -1.883 . . . . 0.0 107.55 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -86.18 -16.43 37.83 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.609 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 49.2 tp -58.73 -59.37 5.52 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.077 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -87.0 -41.87 13.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.806 -1.088 . . . . 0.0 112.076 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.283 -179.66 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 61.7 mtt . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 120.869 0.366 . . . . 0.0 111.493 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -115.87 -3.24 12.2 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 123.111 0.564 . . . . 0.0 111.51 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.16 -41.48 10.43 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.209 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tt -95.69 -61.01 1.53 Allowed 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.768 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -32.25 68.31 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 113.521 -1.672 . . . . 0.0 112.565 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -93.75 -11.46 31.34 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.254 0.971 . . . . 0.0 110.627 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.72 -23.12 23.03 Favored 'General case' 0 C--O 1.228 -0.077 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 175.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tp -91.77 -31.26 15.83 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 111.852 -2.431 . . . . 0.0 107.171 177.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.85 -19.6 40.69 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 113.7 -1.591 . . . . 0.0 107.556 176.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -29.82 17.45 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 176.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -82.05 -17.6 46.11 Favored 'General case' 0 CA--C 1.511 -0.55 0 O-C-N 125.415 1.697 . . . . 0.0 107.241 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.56 -31.83 24.15 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 175.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 14.2 t-105 -80.96 -24.0 38.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 110.901 -2.863 . . . . 0.0 109.012 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -91.88 -18.99 22.97 Favored 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -81.86 -33.34 30.65 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 111.675 -2.511 . . . . 0.0 106.277 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.2 -34.06 56.19 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-N 112.815 -1.993 . . . . 0.0 106.793 177.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.94 -15.55 53.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 111.698 -2.501 . . . . 0.0 107.508 175.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.39 -25.83 21.35 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 174.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.55 -30.3 22.0 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 113.575 -1.648 . . . . 0.0 106.794 176.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.17 -19.4 34.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 112.404 -2.18 . . . . 0.0 108.959 176.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.71 -31.4 19.72 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 104.459 -2.423 . . . . 0.0 104.459 175.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.15 -43.78 64.12 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 112.64 -2.073 . . . . 0.0 106.006 174.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.44 -16.02 62.37 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 113.568 -1.651 . . . . 0.0 110.529 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.47 -27.5 41.57 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 124.503 1.121 . . . . 0.0 109.552 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -76.06 -42.67 46.78 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 125.999 1.72 . . . . 0.0 108.182 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.09 -22.87 61.29 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 112.506 -2.134 . . . . 0.0 107.669 176.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -84.37 -34.92 23.51 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 113.06 -1.882 . . . . 0.0 107.698 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.79 -37.07 65.08 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 175.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.47 -42.25 78.99 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 112.692 -2.049 . . . . 0.0 109.674 176.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.14 -67.73 0.29 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 114.44 -1.254 . . . . 0.0 112.119 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.79 -28.4 63.98 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 112.614 -2.085 . . . . 0.0 113.437 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -94.09 -12.59 28.17 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.313 0.383 . . . . 0.0 111.97 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 19.0 m120 68.52 154.22 0.11 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.12 0.968 . . . . 0.0 111.753 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 49.6 t -89.51 158.6 17.61 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.383 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 tp 50.65 115.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 124.954 1.302 . . . . 0.0 113.22 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 82.7 m -131.09 144.54 51.49 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.671 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -112.36 -43.71 3.48 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.406 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -114.16 128.82 70.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 O-C-N 123.325 0.391 . . . . 0.0 110.438 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -124.46 146.62 48.83 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.848 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -129.24 116.55 19.32 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.789 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 42.6 t 59.17 116.06 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.997 0.919 . . . . 0.0 112.18 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 48.8 m -130.04 121.08 25.76 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -139.17 -40.4 0.47 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 23.1 mmt -99.21 -38.19 8.99 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.461 0.475 . . . . 0.0 111.612 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.27 155.43 42.65 Favored Pre-proline 0 CA--C 1.54 0.578 0 O-C-N 123.233 0.333 . . . . 0.0 111.496 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.04 158.67 27.07 Favored 'Trans proline' 0 C--N 1.375 1.934 0 C-N-CA 122.638 2.225 . . . . 0.0 112.909 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 23.1 mt -96.21 -11.36 26.19 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.79 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -87.99 -50.44 6.42 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.483 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 60.6 p 67.0 -33.97 0.22 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.792 1.237 . . . . 0.0 113.541 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -97.82 -45.67 6.24 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.511 0.324 . . . . 0.0 111.523 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -89.8 -8.9 51.05 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.601 0.563 . . . . 0.0 111.946 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.55 -14.08 17.61 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -97.07 -68.59 0.79 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.182 0.993 . . . . 0.0 111.006 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -55.47 -15.5 2.8 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 114.022 -1.444 . . . . 0.0 111.986 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -95.87 -40.27 9.4 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.583 1.153 . . . . 0.0 109.365 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -75.78 -12.32 60.16 Favored 'General case' 0 N--CA 1.486 1.325 0 CA-C-O 121.944 0.878 . . . . 0.0 109.874 177.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.33 -45.65 7.72 Favored 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 126.376 1.87 . . . . 0.0 106.772 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.65 -14.85 63.29 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 113.278 -1.783 . . . . 0.0 110.463 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.13 -27.75 15.41 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.517 1.127 . . . . 0.0 108.24 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 tp -81.08 -32.83 33.75 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.004 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -78.72 -30.24 45.81 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 126.676 1.99 . . . . 0.0 107.72 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -31.83 43.9 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 113.083 -1.871 . . . . 0.0 106.763 175.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -86.23 -14.96 42.32 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 113.929 -1.487 . . . . 0.0 110.804 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 tp -87.18 -29.89 21.42 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 124.189 0.996 . . . . 0.0 110.73 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.42 -19.05 34.11 Favored 'General case' 0 C--N 1.309 -1.171 0 C-N-CA 126.767 2.027 . . . . 0.0 106.657 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.26 -16.28 22.58 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 112.529 -2.123 . . . . 0.0 106.692 177.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.83 -42.47 9.51 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 112.946 -1.934 . . . . 0.0 105.903 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -77.02 -27.0 54.4 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 113.518 -1.673 . . . . 0.0 109.499 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -80.47 -18.4 48.78 Favored 'General case' 0 C--N 1.345 0.395 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 174.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -93.43 -25.86 17.47 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 113.442 -1.708 . . . . 0.0 108.806 176.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.07 -16.44 31.57 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 114.317 -1.31 . . . . 0.0 108.64 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.96 -21.17 19.94 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 105.804 -1.924 . . . . 0.0 105.804 176.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.87 -37.36 22.52 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-N 112.932 -1.94 . . . . 0.0 106.58 176.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 7.2 tp -78.07 -27.64 48.62 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-N 112.091 -2.322 . . . . 0.0 108.337 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.36 -20.7 33.79 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 177.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -89.12 -31.7 17.87 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 112.94 -1.936 . . . . 0.0 108.092 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -87.11 -19.48 28.47 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.134 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -58.29 -60.34 3.93 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.465 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -93.48 -42.35 9.3 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.601 -1.182 . . . . 0.0 111.66 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.178 0 C-N-CA 124.345 1.058 . . . . 0.0 112.299 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.485 0.183 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 55.04 -7.24 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.386 1.474 . . . . 0.0 114.499 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.94 -41.02 9.82 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.965 0.888 . . . . 0.0 110.207 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 10.3 mp -94.22 -52.4 4.38 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 112.868 -1.969 . . . . 0.0 108.976 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.36 -30.48 64.88 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 113.517 -1.674 . . . . 0.0 111.047 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -87.43 -23.31 24.54 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 114.569 -1.196 . . . . 0.0 109.988 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -19.19 37.18 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tt -89.03 -34.35 16.84 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 111.145 -2.752 . . . . 0.0 105.892 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.05 -22.85 48.49 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 112.839 -1.982 . . . . 0.0 108.447 176.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -84.85 -37.73 20.33 Favored 'General case' 0 CA--C 1.49 -1.348 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -73.09 -20.23 60.99 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 111.536 -2.575 . . . . 0.0 108.418 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.63 -31.72 24.07 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 175.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -80.23 -23.44 40.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 110.951 -2.84 . . . . 0.0 108.845 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -92.2 -17.59 24.64 Favored 'General case' 0 CA--C 1.497 -1.093 0 N-CA-C 106.233 -1.766 . . . . 0.0 106.233 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -83.12 -31.16 27.38 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 111.671 -2.513 . . . . 0.0 106.018 174.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.99 -34.5 32.94 Favored 'General case' 0 N--CA 1.433 -1.318 0 CA-C-N 112.835 -1.984 . . . . 0.0 107.353 177.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.07 -17.24 47.32 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 111.986 -2.37 . . . . 0.0 107.896 175.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 tp -83.34 -37.53 23.25 Favored 'General case' 0 CA--C 1.495 -1.154 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.27 -40.15 59.08 Favored 'General case' 0 C--O 1.205 -1.237 0 CA-C-N 111.713 -2.494 . . . . 0.0 106.504 175.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -12.16 61.35 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 113.642 -1.617 . . . . 0.0 108.345 176.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.63 -34.5 10.92 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 174.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.88 -53.23 4.48 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 113.297 -1.774 . . . . 0.0 112.532 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.77 -12.6 41.68 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -176.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.45 -26.05 24.89 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tt -70.55 -46.89 62.7 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 113.663 -1.608 . . . . 0.0 107.235 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -25.55 64.44 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 125.522 1.764 . . . . 0.0 107.166 174.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -76.41 -24.14 54.04 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.331 -1.758 . . . . 0.0 107.055 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.1 -40.36 9.66 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 114.121 -1.399 . . . . 0.0 109.227 175.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.53 -55.53 4.25 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 113.699 -1.591 . . . . 0.0 114.057 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -43.63 52.85 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -176.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.89 -26.79 68.47 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -94.07 -38.6 11.04 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.218 0.324 . . . . 0.0 111.253 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 21.1 m120 66.77 -68.83 0.14 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.381 1.072 . . . . 0.0 112.325 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 86.1 m -144.83 156.32 43.96 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.506 0.322 . . . . 0.0 111.101 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 pp -97.2 156.12 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.23 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -115.44 -44.88 2.95 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.574 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -110.15 123.61 50.04 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.312 0.382 . . . . 0.0 111.259 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 tp -147.03 126.86 4.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.363 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -128.68 -44.67 1.34 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.214 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -120.43 139.77 52.35 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.379 0.425 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.2 m -129.21 129.11 44.61 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 53.6 m -102.72 154.59 19.01 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.82 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -99.51 107.49 19.69 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.64 -40.15 0.34 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.122 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.02 160.02 41.41 Favored Pre-proline 0 CA--C 1.542 0.663 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.276 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -58.21 169.77 2.7 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 122.59 2.193 . . . . 0.0 113.175 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 14.4 mt -84.61 -11.1 56.64 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.234 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -90.3 -54.63 3.93 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.805 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 53.7 m 68.15 -34.55 0.26 Allowed 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.396 1.079 . . . . 0.0 113.385 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -98.0 -45.07 6.4 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.207 0.317 . . . . 0.0 111.351 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -88.58 -8.64 54.39 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.531 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.5 -8.36 17.1 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 tt -96.77 -69.16 0.77 Allowed 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.792 0.837 . . . . 0.0 110.635 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.73 -13.01 12.3 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 114.343 -1.299 . . . . 0.0 112.039 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -95.85 -41.34 8.87 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.513 1.125 . . . . 0.0 109.503 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -75.57 -12.58 60.25 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.907 177.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.43 -44.43 8.26 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 113.456 -1.702 . . . . 0.0 106.732 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.91 -19.8 66.12 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 113.248 -1.796 . . . . 0.0 110.006 176.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.01 -25.63 17.88 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.286 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.55 -14.89 41.6 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.857 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -95.05 -30.57 14.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 113.256 -1.793 . . . . 0.0 106.29 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -30.62 41.1 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 112.621 -2.081 . . . . 0.0 106.541 175.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -81.98 -13.85 56.84 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 113.945 -1.48 . . . . 0.0 109.351 175.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -87.92 -19.72 26.92 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 125.012 1.325 . . . . 0.0 109.736 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -19.41 19.84 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 105.971 -1.863 . . . . 0.0 105.971 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.29 -25.85 16.17 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 112.117 -2.31 . . . . 0.0 108.223 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.43 -40.42 13.51 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -68.79 -29.23 67.54 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 114.015 -1.448 . . . . 0.0 108.762 175.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -81.49 -17.7 47.71 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 174.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -91.38 -23.95 19.91 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 113.765 -1.562 . . . . 0.0 107.704 176.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -87.76 -16.18 34.92 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 113.658 -1.61 . . . . 0.0 107.555 176.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.02 -21.84 19.51 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 176.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -35.8 22.86 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 112.875 -1.966 . . . . 0.0 106.387 175.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 tp -76.01 -30.01 58.36 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-N 111.93 -2.395 . . . . 0.0 107.921 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.58 -19.68 35.12 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.74 -32.47 19.13 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 112.741 -2.027 . . . . 0.0 107.484 176.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -86.17 -17.15 35.65 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.287 -1.324 . . . . 0.0 109.613 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.12 -59.18 5.47 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.86 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -86.73 -42.04 13.67 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.639 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.23 0 C-N-CA 124.441 1.097 . . . . 0.0 112.212 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 120.736 0.303 . . . . 0.0 111.518 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -113.04 -2.78 14.13 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.321 0.581 . . . . 0.0 111.245 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.29 -39.82 11.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.509 -0.768 . . . . 0.0 112.078 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 tt -96.17 -61.83 1.38 Allowed 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 114.286 -1.324 . . . . 0.0 110.173 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -32.44 71.77 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 113.469 -1.696 . . . . 0.0 112.791 -178.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -93.72 -10.96 32.57 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 124.288 0.992 . . . . 0.0 110.543 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.1 -24.81 22.17 Favored 'General case' 0 C--O 1.225 -0.187 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 175.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.87 -21.72 19.08 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 112.125 -2.307 . . . . 0.0 107.508 177.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.88 -20.21 22.5 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.77 -30.34 17.08 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 113.283 -1.78 . . . . 0.0 106.248 175.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -80.68 -20.01 43.93 Favored 'General case' 0 CA--C 1.508 -0.655 0 O-C-N 125.268 1.605 . . . . 0.0 106.743 176.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.54 -36.29 26.47 Favored 'General case' 0 N--CA 1.422 -1.862 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 175.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -78.16 -19.55 53.75 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 111.805 -2.452 . . . . 0.0 108.844 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -92.48 -15.84 26.57 Favored 'General case' 0 CA--C 1.494 -1.194 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 174.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -89.94 -24.71 21.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 111.352 -2.658 . . . . 0.0 107.295 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -92.94 -28.73 16.27 Favored 'General case' 0 CA--C 1.496 -1.135 0 CA-C-N 113.389 -1.732 . . . . 0.0 106.617 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.0 -17.82 32.11 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 112.125 -2.307 . . . . 0.0 107.952 175.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 tt -85.61 -36.01 20.63 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 105.225 -2.139 . . . . 0.0 105.225 175.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -41.82 63.68 Favored 'General case' 0 N--CA 1.431 -1.399 0 CA-C-N 112.092 -2.322 . . . . 0.0 108.602 176.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -77.04 -15.68 59.52 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 113.334 -1.757 . . . . 0.0 109.499 176.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.91 -31.92 16.2 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 104.264 -2.495 . . . . 0.0 104.264 175.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 tt -74.69 -48.38 26.32 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 112.405 -2.18 . . . . 0.0 106.886 175.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.43 -13.13 62.0 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.365 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.23 -21.5 24.47 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.997 0.919 . . . . 0.0 109.469 178.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -84.57 -42.79 15.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 113.259 -1.791 . . . . 0.0 108.637 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.53 -27.29 55.91 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 112.702 -2.045 . . . . 0.0 108.434 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -86.43 -25.07 25.43 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 124.918 1.386 . . . . 0.0 107.689 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.41 -37.32 65.96 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 105.464 -2.05 . . . . 0.0 105.464 174.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.48 -45.44 38.4 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 111.455 -2.612 . . . . 0.0 110.935 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -46.41 55.08 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.76 -47.23 7.76 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -177.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -89.76 -28.21 19.52 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 63.38 152.82 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.825 0.85 . . . . 0.0 111.964 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 25.3 p -94.32 129.56 40.95 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.291 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.8 tp -101.59 156.09 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.471 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 83.5 m -94.06 -51.14 4.98 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.619 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -142.13 128.04 19.46 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.183 0.302 . . . . 0.0 111.276 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 tp -145.97 -49.44 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.512 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -137.53 -45.69 0.55 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.407 0.442 . . . . 0.0 110.786 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 41.8 t30 56.53 104.86 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.983 0.913 . . . . 0.0 112.004 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.8 m -138.1 115.21 10.93 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.669 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 52.7 m -137.88 -45.9 0.53 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.146 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 69.81 -56.89 0.56 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.338 1.055 . . . . 0.0 112.151 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 64.8 mtt -136.17 130.72 33.66 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.194 0.308 . . . . 0.0 110.648 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . 56.11 101.56 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.203 0 C-N-CA 123.854 0.862 . . . . 0.0 112.303 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -71.03 167.18 26.82 Favored 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 122.653 2.236 . . . . 0.0 112.744 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 20.2 mt -136.39 -47.82 0.64 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.39 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 61.09 136.33 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.885 1.274 . . . . 0.0 112.633 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 18.2 m -65.36 -6.65 10.66 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -97.52 -39.36 9.18 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.07 -8.47 45.77 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.153 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.31 -10.71 15.31 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.1 mt -97.06 -70.15 0.73 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.384 0.612 . . . . 0.0 112.082 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.98 -12.89 41.97 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.964 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -95.89 -38.71 10.15 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.364 1.066 . . . . 0.0 109.728 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -76.03 -12.58 60.15 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 121.975 0.893 . . . . 0.0 109.517 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.5 -43.73 8.58 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 113.125 -1.852 . . . . 0.0 106.735 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.88 -18.96 65.63 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 112.988 -1.915 . . . . 0.0 110.008 176.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.33 -24.26 18.18 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.263 177.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -86.11 -16.16 38.87 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 114.168 -1.378 . . . . 0.0 109.439 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -94.61 -29.18 14.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.491 -1.686 . . . . 0.0 107.119 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -29.64 25.74 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 112.885 -1.961 . . . . 0.0 107.239 175.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -84.91 -18.29 35.16 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.8 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tp -72.34 -38.07 68.71 Favored 'General case' 0 C--O 1.205 -1.277 0 CA-C-O 123.436 1.589 . . . . 0.0 110.222 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -19.51 61.06 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 111.528 -2.578 . . . . 0.0 107.515 177.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.11 -33.42 10.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 112.962 -1.927 . . . . 0.0 111.651 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.91 -40.63 11.61 Favored 'General case' 0 CA--C 1.51 -0.562 0 O-C-N 124.125 0.891 . . . . 0.0 109.815 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -78.91 -21.81 46.8 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 114.494 -1.23 . . . . 0.0 108.52 177.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -84.03 -17.83 39.08 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 173.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -92.0 -24.14 19.31 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 113.436 -1.711 . . . . 0.0 107.994 176.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -90.39 -15.08 31.69 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-N 114.01 -1.45 . . . . 0.0 107.798 176.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.99 -21.73 19.59 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 175.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -36.57 23.86 Favored 'General case' 0 N--CA 1.427 -1.604 0 CA-C-N 112.764 -2.016 . . . . 0.0 106.448 176.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 8.3 tp -77.83 -28.1 50.13 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-N 111.959 -2.382 . . . . 0.0 108.186 176.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.1 -20.25 35.21 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 176.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -89.03 -32.86 17.38 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 112.814 -1.994 . . . . 0.0 107.952 176.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -86.48 -17.52 34.0 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.026 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.01 -60.18 4.12 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.211 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -91.38 -42.38 10.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.615 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.168 0 C-N-CA 124.412 1.085 . . . . 0.0 112.245 -179.944 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 121.005 0.431 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -124.52 -7.5 7.48 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.15 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.11 -24.37 19.15 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.002 1.321 . . . . 0.0 110.944 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -86.63 -34.93 19.67 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.346 -1.297 . . . . 0.0 107.575 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.36 -23.6 43.25 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 113.054 -1.885 . . . . 0.0 108.019 176.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -89.75 -18.26 26.68 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 113.38 -1.736 . . . . 0.0 109.747 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -24.8 23.49 Favored 'General case' 0 C--O 1.226 -0.145 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 176.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.52 -19.58 21.08 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 112.388 -2.187 . . . . 0.0 107.187 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.86 -21.18 21.57 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 176.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -29.44 18.16 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 113.171 -1.831 . . . . 0.0 106.158 176.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -82.1 -18.8 41.73 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 125.327 1.642 . . . . 0.0 106.827 176.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.56 -32.71 23.67 Favored 'General case' 0 N--CA 1.429 -1.519 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 175.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -80.0 -24.24 40.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 111.219 -2.719 . . . . 0.0 109.179 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -91.02 -19.7 22.9 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 176.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -82.08 -33.98 29.56 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 111.702 -2.499 . . . . 0.0 106.413 175.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -33.83 58.2 Favored 'General case' 0 N--CA 1.435 -1.223 0 C-N-CA 126.425 1.89 . . . . 0.0 106.961 177.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.86 -16.18 51.6 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 111.775 -2.466 . . . . 0.0 107.641 175.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.4 -26.8 20.83 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.68 -30.94 21.32 Favored 'General case' 0 CA--C 1.499 -1.003 0 CA-C-N 113.558 -1.655 . . . . 0.0 106.886 176.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.14 -18.62 38.81 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 112.7 -2.046 . . . . 0.0 109.105 176.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.1 -31.4 19.24 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 175.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tt -73.98 -43.33 58.48 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 112.663 -2.062 . . . . 0.0 106.578 174.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.43 -12.81 60.6 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 113.481 -1.69 . . . . 0.0 110.534 177.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.59 -30.15 56.86 Favored 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 124.587 1.155 . . . . 0.0 109.791 178.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tt -77.88 -40.54 39.64 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 125.868 1.667 . . . . 0.0 108.777 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.44 -22.82 57.04 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 112.624 -2.08 . . . . 0.0 107.62 176.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -85.11 -34.71 22.13 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 113.215 -1.811 . . . . 0.0 107.827 174.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.12 -34.92 68.96 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 174.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.71 -47.11 56.19 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 112.155 -2.293 . . . . 0.0 109.806 176.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -41.19 96.25 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.855 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.8 -4.65 56.94 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.711 -1.131 . . . . 0.0 112.491 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 9.3 t-105 -85.0 -34.35 22.37 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 122.484 0.314 . . . . 0.0 111.833 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -90.54 113.11 25.03 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.859 0.361 . . . . 0.0 111.431 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 81.0 m -138.54 153.19 48.71 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.797 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 tp -94.0 116.61 35.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.722 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 82.7 m -137.32 156.65 47.99 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.93 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -92.37 -39.68 11.32 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.981 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 pp -98.67 156.49 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 123.427 0.454 . . . . 0.0 111.251 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -96.08 141.51 29.38 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -113.48 -44.12 3.25 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.258 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 25.2 p -105.74 122.44 46.09 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 123.39 0.431 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 52.8 m -135.79 151.55 50.2 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.04 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 18.6 m120 71.12 -47.69 0.66 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 124.525 1.13 . . . . 0.0 112.705 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -97.35 123.88 41.32 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 111.122 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.12 157.24 78.79 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.949 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -76.97 151.56 31.03 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.481 2.121 . . . . 0.0 112.848 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 25.5 mt -110.62 -16.4 13.64 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.708 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -87.52 91.61 8.8 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.829 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 67.6 m -156.41 -44.96 0.07 Allowed 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.347 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -98.52 -66.94 0.87 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -177.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -87.2 -8.52 56.78 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.34 -19.5 13.45 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 tt -97.38 -69.62 0.75 Allowed 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 123.517 0.727 . . . . 0.0 111.461 -178.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.54 -14.22 39.74 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 114.643 -1.162 . . . . 0.0 112.416 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -95.67 -40.36 9.43 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 124.381 1.073 . . . . 0.0 109.679 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -75.81 -12.33 60.15 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 121.846 0.831 . . . . 0.0 109.71 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -93.35 -44.52 8.25 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 113.317 -1.765 . . . . 0.0 106.736 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.42 -19.74 65.71 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 113.362 -1.745 . . . . 0.0 109.891 176.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.94 -25.85 17.84 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 114.241 -1.345 . . . . 0.0 108.261 177.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -87.5 -10.99 50.22 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.465 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -95.06 -33.23 12.77 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 113.128 -1.851 . . . . 0.0 106.396 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -30.23 35.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 112.41 -2.177 . . . . 0.0 107.25 175.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -84.29 -14.11 50.65 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.567 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 10.8 tp -84.34 -30.97 25.07 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 124.933 1.293 . . . . 0.0 110.537 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.27 -18.94 34.78 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 127.119 2.168 . . . . 0.0 106.66 177.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.88 -18.05 21.5 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 112.332 -2.213 . . . . 0.0 106.613 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.41 -41.23 12.22 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 112.749 -2.023 . . . . 0.0 105.63 176.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -74.46 -28.11 60.89 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 113.294 -1.775 . . . . 0.0 108.861 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -81.97 -17.32 47.37 Favored 'General case' 0 C--N 1.346 0.444 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 174.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -92.4 -24.44 18.87 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 113.663 -1.608 . . . . 0.0 107.935 176.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -89.53 -15.25 33.35 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 113.831 -1.531 . . . . 0.0 107.933 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.92 -21.95 19.51 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 175.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.89 -36.52 23.3 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-N 112.693 -2.049 . . . . 0.0 106.474 176.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.2 tp -77.27 -28.4 53.47 Favored 'General case' 0 C--O 1.206 -1.188 0 CA-C-N 111.937 -2.392 . . . . 0.0 108.086 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.1 -20.22 35.26 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -89.2 -32.02 17.64 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 112.82 -1.991 . . . . 0.0 107.836 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -86.25 -19.53 29.81 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.453 -1.248 . . . . 0.0 109.924 176.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mt -57.95 -60.3 3.92 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.405 178.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -93.04 -42.34 9.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.609 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.16 0 C-N-CA 124.375 1.07 . . . . 0.0 112.252 -179.927 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ttm . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.659 0.266 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -115.5 0.24 13.29 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.387 0.613 . . . . 0.0 110.512 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.16 -40.79 10.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.716 -178.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 7.5 tt -95.89 -62.28 1.31 Allowed 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.813 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -32.09 67.36 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 113.37 -1.741 . . . . 0.0 112.423 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -93.98 -11.0 31.8 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.236 0.96 . . . . 0.0 110.602 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.67 -24.07 22.85 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 175.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 tp -89.32 -36.09 15.74 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 111.52 -2.582 . . . . 0.0 106.937 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.02 -17.06 53.79 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 125.331 1.645 . . . . 0.0 107.67 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.15 -28.08 22.67 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 104.97 -2.233 . . . . 0.0 104.97 174.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -82.69 -21.43 34.88 Favored 'General case' 0 C--N 1.343 0.325 0 O-C-N 125.851 1.97 . . . . 0.0 107.334 176.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -85.8 -28.57 24.42 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 104.911 -2.255 . . . . 0.0 104.911 175.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -83.18 -18.93 37.63 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 111.729 -2.487 . . . . 0.0 108.679 176.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.36 -18.62 25.18 Favored 'General case' 0 CA--C 1.493 -1.235 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 174.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.63 -34.42 23.09 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 110.943 -2.844 . . . . 0.0 106.804 175.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -82.64 -26.9 31.76 Favored 'General case' 0 CA--C 1.492 -1.259 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.43 -17.92 37.65 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 112.183 -2.28 . . . . 0.0 107.323 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 tt -86.58 -38.5 17.08 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 113.664 -1.607 . . . . 0.0 106.772 176.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -78.08 -24.47 47.6 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 125.443 1.714 . . . . 0.0 107.454 175.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.81 -15.71 47.31 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 112.908 -1.951 . . . . 0.0 107.935 175.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.18 -29.63 12.73 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 113.335 -1.757 . . . . 0.0 107.471 175.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.18 -47.42 7.8 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 113.549 -1.66 . . . . 0.0 112.21 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.0 -12.08 31.56 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.808 1.411 . . . . 0.0 114.808 -177.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -94.4 -42.64 8.77 Favored 'General case' 0 C--O 1.198 -1.631 0 CA-C-N 118.307 0.503 . . . . 0.0 110.684 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -61.69 -35.48 78.14 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 125.743 1.902 . . . . 0.0 110.895 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -80.68 -26.64 37.43 Favored 'General case' 0 CA--C 1.495 -1.139 0 CA-C-N 112.069 -2.332 . . . . 0.0 107.846 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -83.09 -32.26 26.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 112.009 -2.36 . . . . 0.0 108.566 175.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.84 -32.8 59.95 Favored 'General case' 0 CA--C 1.496 -1.1 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -71.86 -46.47 57.82 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 112.284 -2.235 . . . . 0.0 109.182 176.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -39.86 95.84 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 114.771 -1.104 . . . . 0.0 112.032 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.07 -4.84 58.77 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.713 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -87.73 -42.78 12.38 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 122.177 0.191 . . . . 0.0 111.245 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -114.47 127.85 56.03 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.467 0.48 . . . . 0.0 110.739 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 25.5 p -111.36 -43.59 3.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.264 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.0 pp -140.95 134.75 32.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 O-C-N 123.36 0.412 . . . . 0.0 111.377 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 86.1 m -126.3 130.41 50.79 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -99.95 -47.31 5.06 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.172 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.1 -7.33 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -93.81 112.15 23.96 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.915 0.388 . . . . 0.0 111.083 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -140.65 -43.65 0.4 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.709 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 80.7 m -110.49 158.37 18.59 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 123.508 0.505 . . . . 0.0 111.04 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 13.4 t 64.03 125.89 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.932 0.893 . . . . 0.0 111.874 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -102.87 177.4 4.85 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -83.99 -46.73 11.73 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -128.87 -50.89 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.722 0 CA-C-O 118.707 -0.663 . . . . 0.0 112.631 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -75.19 153.35 40.82 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 122.176 1.917 . . . . 0.0 112.924 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 28.8 mt -108.89 -14.36 14.59 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.865 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -91.0 95.73 10.26 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.589 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 12.1 t -152.01 -63.6 0.17 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -98.46 -70.28 0.73 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -177.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -89.39 -8.94 52.06 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -177.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.98 -7.61 16.13 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.0 tt -96.04 -68.63 0.79 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.044 0.938 . . . . 0.0 110.08 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.13 -14.01 14.88 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 114.589 -1.187 . . . . 0.0 112.022 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -95.67 -39.07 10.08 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.547 1.139 . . . . 0.0 109.395 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -75.84 -12.73 60.22 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.938 0.875 . . . . 0.0 109.755 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.18 -44.02 8.55 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 113.118 -1.855 . . . . 0.0 106.835 178.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.02 -19.21 65.78 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 113.288 -1.778 . . . . 0.0 109.808 176.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.33 -26.41 17.3 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 114.382 -1.281 . . . . 0.0 108.385 177.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.67 -13.07 49.68 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.572 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -94.36 -29.14 15.16 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 178.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -81.79 -30.29 32.33 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 112.398 -2.183 . . . . 0.0 106.291 175.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -84.58 -13.86 50.49 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.656 175.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -87.77 -16.67 33.53 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 124.447 1.099 . . . . 0.0 109.622 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.63 -21.0 18.5 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 112.543 -2.117 . . . . 0.0 105.519 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.92 -20.28 19.54 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 111.954 -2.384 . . . . 0.0 107.161 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.47 -36.16 16.62 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 176.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -77.06 -28.04 54.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 112.891 -1.959 . . . . 0.0 108.216 176.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -83.33 -16.97 44.05 Favored 'General case' 0 C--N 1.346 0.446 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 174.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.11 -22.39 19.92 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-N 113.51 -1.677 . . . . 0.0 107.524 176.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -90.58 -15.82 29.87 Favored 'General case' 0 C--N 1.343 0.294 0 CA-C-N 113.784 -1.553 . . . . 0.0 107.511 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.91 -21.83 19.6 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.78 -36.59 23.46 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-N 112.722 -2.035 . . . . 0.0 106.225 175.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 tp -74.56 -31.54 62.12 Favored 'General case' 0 C--O 1.201 -1.48 0 CA-C-N 111.998 -2.365 . . . . 0.0 107.714 175.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.39 -20.98 42.78 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 177.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -89.18 -30.42 18.58 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 112.965 -1.925 . . . . 0.0 108.108 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -87.62 -21.5 25.29 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.903 177.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.23 -60.07 4.12 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 121.684 0.754 . . . . 0.0 111.921 178.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -86.69 -43.35 12.66 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 113.61 -1.632 . . . . 0.0 112.049 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.201 0 C-N-CA 124.249 1.02 . . . . 0.0 112.297 -179.843 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 121.066 0.46 . . . . 0.0 111.305 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -118.32 -2.94 11.03 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.162 0.585 . . . . 0.0 111.5 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.72 -43.71 9.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.175 -177.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tt -95.58 -58.45 2.11 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 125.122 1.369 . . . . 0.0 110.18 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -32.51 69.6 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 113.567 -1.651 . . . . 0.0 112.42 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -93.53 -11.05 32.81 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 124.115 0.885 . . . . 0.0 110.365 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.77 -23.13 22.97 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 175.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.98 -31.51 17.19 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 111.448 -2.614 . . . . 0.0 106.693 177.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.39 -16.61 42.14 Favored 'General case' 0 CA--C 1.511 -0.52 0 O-C-N 125.187 1.554 . . . . 0.0 106.863 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.82 -28.91 22.64 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 104.602 -2.369 . . . . 0.0 104.602 174.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -83.97 -18.79 36.07 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 112.915 -1.948 . . . . 0.0 107.589 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.25 -22.1 24.13 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 104.91 -2.255 . . . . 0.0 104.91 174.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -87.23 -22.95 24.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 110.699 -2.955 . . . . 0.0 108.374 176.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -93.05 -16.79 24.61 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 175.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.44 -25.49 26.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 111.601 -2.545 . . . . 0.0 106.272 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.06 -35.13 18.9 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 112.31 -2.223 . . . . 0.0 107.137 177.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.6 -16.92 46.62 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 112.14 -2.3 . . . . 0.0 108.176 176.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 tt -85.6 -36.04 20.63 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 105.269 -2.123 . . . . 0.0 105.269 174.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.14 -39.34 72.02 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-N 111.853 -2.43 . . . . 0.0 107.789 175.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.3 -16.03 57.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 112.496 -2.138 . . . . 0.0 109.283 176.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.2 -32.23 19.91 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 104.364 -2.458 . . . . 0.0 104.364 175.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.32 -41.86 55.85 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 112.531 -2.122 . . . . 0.0 107.156 174.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.72 -12.49 60.2 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 112.309 -2.223 . . . . 0.0 110.444 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -30.92 62.52 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 124.716 1.206 . . . . 0.0 109.263 178.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mp -73.86 -49.68 23.89 Favored 'General case' 0 C--O 1.202 -1.439 0 CA-C-N 113.625 -1.625 . . . . 0.0 107.322 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -21.06 66.17 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 125.92 2.012 . . . . 0.0 107.85 175.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -79.89 -27.4 40.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 113.548 -1.66 . . . . 0.0 107.039 173.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.5 -37.24 11.49 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 113.949 -1.478 . . . . 0.0 109.115 175.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.27 -55.04 4.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 113.319 -1.764 . . . . 0.0 113.207 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.77 -46.71 9.22 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -177.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.21 -40.42 71.16 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 -85.16 -32.66 22.6 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -124.28 134.81 53.11 Favored 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.387 0.43 . . . . 0.0 110.681 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 79.1 m -124.33 -46.95 1.89 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.5 0.5 . . . . 0.0 111.33 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.4 pt -101.44 -46.71 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 123.364 0.415 . . . . 0.0 111.3 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 80.6 m -126.3 143.91 50.99 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.58 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -98.73 139.01 35.07 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.492 0.495 . . . . 0.0 111.09 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 pt -116.6 161.85 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.347 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -91.49 128.84 37.47 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -114.67 151.43 33.61 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.602 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 49.7 t -101.63 126.89 48.55 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.006 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 52.9 m -131.81 -41.69 1.03 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.074 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -98.1 167.17 11.05 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 123.488 0.492 . . . . 0.0 110.746 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 65.6 mtt -79.84 114.67 18.93 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.905 0.384 . . . . 0.0 111.174 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . 52.94 64.58 6.99 Favored Pre-proline 0 N--CA 1.483 1.223 0 C-N-CA 124.043 0.937 . . . . 0.0 112.385 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -81.45 152.52 17.83 Favored 'Trans proline' 0 C--N 1.37 1.702 0 C-N-CA 122.929 2.42 . . . . 0.0 113.008 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 34.1 mt -120.48 -14.13 8.72 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.486 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -111.66 152.22 27.95 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.004 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 33.6 m -130.44 -37.49 1.4 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.072 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -97.86 -39.46 8.99 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.491 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -80.03 -7.72 58.99 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.641 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.5 -13.66 24.34 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.53 -69.43 0.76 Allowed 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.873 0.844 . . . . 0.0 111.616 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -58.64 -16.73 17.45 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 113.528 -1.669 . . . . 0.0 112.299 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -95.5 -36.52 11.27 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 124.195 0.998 . . . . 0.0 109.447 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -74.53 -12.85 60.58 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 122.214 1.007 . . . . 0.0 109.357 176.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mp -93.68 -43.89 8.43 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 112.866 -1.97 . . . . 0.0 106.731 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.71 -15.0 62.66 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 112.992 -1.913 . . . . 0.0 110.233 176.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.3 -26.87 16.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 177.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 49.1 tp -74.16 -44.17 54.53 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 113.591 -1.64 . . . . 0.0 109.278 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -70.55 -28.88 65.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 112.545 -2.116 . . . . 0.0 108.188 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -79.47 -29.05 41.54 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 174.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -76.33 -27.88 56.69 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 113.422 -1.717 . . . . 0.0 108.866 175.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mp -62.44 -47.7 82.91 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-O 123.539 1.638 . . . . 0.0 108.396 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -25.17 5.69 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 113.118 -1.855 . . . . 0.0 108.285 176.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.53 -35.56 9.11 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 112.61 -2.086 . . . . 0.0 112.44 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.24 -46.69 9.49 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 124.268 1.027 . . . . 0.0 109.886 -177.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -71.47 -25.28 62.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.119 -1.4 . . . . 0.0 108.279 176.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -84.18 -17.04 41.25 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 174.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.2 -23.06 19.49 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 113.635 -1.621 . . . . 0.0 107.455 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -89.89 -16.16 30.62 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 113.714 -1.585 . . . . 0.0 107.648 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.0 -21.33 19.82 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 106.109 -1.812 . . . . 0.0 106.109 176.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.18 -35.63 23.41 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 112.968 -1.924 . . . . 0.0 106.405 176.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.3 tp -76.76 -30.69 56.66 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 111.62 -2.536 . . . . 0.0 107.926 176.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.77 -20.2 36.32 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 177.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -85.85 -30.59 22.82 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 112.847 -1.979 . . . . 0.0 107.046 175.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -85.76 -18.1 33.96 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.029 -1.441 . . . . 0.0 109.576 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 10.2 tt -74.05 -60.34 2.31 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.658 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -76.05 -55.6 5.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.392 -1.276 . . . . 0.0 111.154 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.22 0 CA-C-N 114.628 -1.169 . . . . 0.0 112.322 179.819 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 120.975 0.417 . . . . 0.0 111.435 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -120.35 1.55 10.73 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.184 0.516 . . . . 0.0 111.018 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.72 -43.75 9.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.719 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -96.95 -53.78 3.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.275 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -32.57 74.36 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 113.616 -1.629 . . . . 0.0 112.712 -178.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -93.49 -10.84 33.57 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.233 0.958 . . . . 0.0 110.174 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.95 -23.18 22.74 Favored 'General case' 0 C--N 1.34 0.182 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 175.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp -91.8 -31.16 15.85 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 111.799 -2.455 . . . . 0.0 107.227 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.75 -20.01 36.77 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 113.515 -1.675 . . . . 0.0 107.542 176.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -29.4 18.52 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 175.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -80.63 -20.5 43.03 Favored 'General case' 0 CA--C 1.511 -0.541 0 O-C-N 125.439 1.712 . . . . 0.0 106.795 176.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.9 -35.41 26.16 Favored 'General case' 0 N--CA 1.42 -1.942 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 175.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -78.18 -19.39 54.01 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 111.804 -2.453 . . . . 0.0 108.689 176.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -92.2 -16.82 25.71 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -88.95 -23.9 22.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 111.315 -2.675 . . . . 0.0 107.201 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -91.07 -28.92 17.63 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 113.344 -1.753 . . . . 0.0 106.312 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.69 -19.43 30.88 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 111.995 -2.366 . . . . 0.0 107.858 175.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.51 -33.66 21.75 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 175.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.55 -39.06 65.0 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-N 112.466 -2.152 . . . . 0.0 107.915 175.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -77.41 -17.01 58.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 112.68 -2.054 . . . . 0.0 108.932 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.67 -31.14 18.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 104.602 -2.369 . . . . 0.0 104.602 175.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 tt -75.89 -41.12 52.97 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 112.541 -2.118 . . . . 0.0 106.574 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.74 -12.79 60.04 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 113.345 -1.752 . . . . 0.0 110.369 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.77 -28.87 61.89 Favored 'General case' 0 C--O 1.215 -0.738 0 C-N-CA 124.744 1.218 . . . . 0.0 110.167 178.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -29.29 33.0 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 125.426 1.49 . . . . 0.0 109.294 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -85.6 -21.14 28.62 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 111.904 -2.407 . . . . 0.0 106.589 177.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -88.36 -30.98 19.13 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 112.928 -1.942 . . . . 0.0 107.87 174.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.19 -31.1 60.86 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 174.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tt -77.72 -49.8 13.7 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 111.753 -2.476 . . . . 0.0 111.59 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.7 -53.86 4.23 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -177.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.13 -31.18 64.14 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -177.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -94.07 -73.35 0.57 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 117.53 0.15 . . . . 0.0 111.378 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -151.68 140.3 20.72 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.443 0.297 . . . . 0.0 111.076 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 49.1 t -96.82 -44.04 7.24 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.904 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 tp -137.88 116.03 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 O-C-N 123.46 0.475 . . . . 0.0 110.355 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 24.8 p -133.68 148.14 51.46 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.148 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -129.42 147.67 51.26 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.721 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.75 113.9 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.211 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -125.45 -43.24 1.92 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.201 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -107.59 -44.66 4.22 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.338 0.399 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.3 m -99.25 126.32 45.04 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 123.335 0.397 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 53.0 m -131.64 130.56 42.26 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.019 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -124.49 124.06 41.47 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.709 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 20.1 ptt? -127.28 105.4 8.52 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.453 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.98 -52.76 0.02 OUTLIER Pre-proline 0 CA--C 1.544 0.745 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.351 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -84.23 165.08 12.95 Favored 'Trans proline' 0 C--N 1.38 2.204 0 C-N-CA 122.449 2.099 . . . . 0.0 112.648 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 6.1 mp -82.65 -13.02 57.19 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.809 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -85.17 122.1 28.88 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.95 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 21.4 t -134.92 -94.11 0.28 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -98.12 -69.51 0.76 Allowed 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -92.71 -19.3 21.96 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.54 -7.13 0.37 Allowed 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.92 -69.35 0.76 Allowed 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 123.627 0.771 . . . . 0.0 109.761 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -56.77 -14.23 3.19 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 113.743 -1.572 . . . . 0.0 111.926 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -95.97 -42.02 8.49 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.812 1.245 . . . . 0.0 109.344 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -76.69 -12.3 59.98 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.159 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -92.78 -44.16 8.66 Favored 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 126.026 1.73 . . . . 0.0 106.937 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.85 -16.57 63.81 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 113.529 -1.669 . . . . 0.0 109.981 176.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.9 -25.99 16.34 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 114.568 -1.196 . . . . 0.0 107.81 177.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 tt -77.52 -41.38 39.42 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 113.916 -1.493 . . . . 0.0 109.112 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -70.19 -29.15 65.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 112.787 -2.006 . . . . 0.0 108.522 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -83.49 -29.78 27.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 113.266 -1.788 . . . . 0.0 107.199 175.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -84.45 -14.55 48.93 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.219 -1.355 . . . . 0.0 110.694 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.19 -24.0 28.08 Favored 'General case' 0 C--O 1.222 -0.349 0 C-N-CA 124.276 1.03 . . . . 0.0 110.612 178.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.83 -18.74 25.67 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 112.617 -2.083 . . . . 0.0 105.865 177.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.89 -25.3 16.63 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 111.924 -2.398 . . . . 0.0 107.611 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -40.43 18.1 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 176.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -71.16 -27.69 63.72 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 113.554 -1.657 . . . . 0.0 108.508 175.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -82.47 -18.0 43.24 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 107.348 -1.352 . . . . 0.0 107.348 174.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -92.17 -25.17 18.82 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 113.649 -1.614 . . . . 0.0 108.058 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -87.85 -15.17 37.51 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 113.787 -1.551 . . . . 0.0 107.921 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.92 -22.09 19.43 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 176.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.37 -36.39 22.5 Favored 'General case' 0 N--CA 1.426 -1.638 0 CA-C-N 112.75 -2.023 . . . . 0.0 106.355 176.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.2 tp -76.93 -28.57 55.3 Favored 'General case' 0 C--O 1.204 -1.334 0 CA-C-N 112.025 -2.352 . . . . 0.0 108.081 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.86 -20.27 35.87 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 176.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.22 -32.33 17.48 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 112.876 -1.965 . . . . 0.0 107.944 176.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -87.39 -17.45 32.28 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.228 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 mt -58.53 -60.27 4.07 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.499 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.14 -42.13 39.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.644 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.135 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.197 -179.924 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.974 0.416 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -116.74 -2.83 11.8 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.135 0.574 . . . . 0.0 111.47 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.38 -43.37 9.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.414 -177.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -96.37 -51.7 4.26 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.536 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -31.53 71.91 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 113.934 -1.485 . . . . 0.0 112.399 -178.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -92.53 -11.8 33.55 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.286 0.991 . . . . 0.0 109.969 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.99 -24.36 22.41 Favored 'General case' 0 C--O 1.225 -0.185 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 175.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.64 -20.23 20.39 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 112.107 -2.315 . . . . 0.0 107.251 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.85 -19.53 22.42 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.48 -22.69 18.71 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 175.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -87.0 -21.47 26.12 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 113.162 -1.835 . . . . 0.0 106.308 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.76 -36.91 21.43 Favored 'General case' 0 N--CA 1.427 -1.593 0 CA-C-N 113.138 -1.846 . . . . 0.0 106.393 176.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -78.52 -16.78 57.09 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 112.445 -2.161 . . . . 0.0 108.386 176.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.46 -30.63 21.87 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 175.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 tt -77.21 -38.38 51.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 110.889 -2.869 . . . . 0.0 107.587 176.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -75.54 -27.79 58.8 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 113.362 -1.745 . . . . 0.0 106.831 176.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.2 -29.41 38.61 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 111.839 -2.437 . . . . 0.0 107.468 175.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 tp -77.76 -30.93 51.73 Favored 'General case' 0 CA--C 1.51 -0.564 0 O-C-N 125.211 1.569 . . . . 0.0 107.248 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -36.72 61.92 Favored 'General case' 0 N--CA 1.425 -1.681 0 CA-C-N 112.504 -2.134 . . . . 0.0 106.797 175.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -77.49 -18.92 56.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 112.241 -2.254 . . . . 0.0 109.356 175.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -84.16 -40.67 17.9 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 104.271 -2.492 . . . . 0.0 104.271 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 tt -65.29 -44.27 88.52 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 110.784 -2.917 . . . . 0.0 107.135 174.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.94 -14.08 60.99 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 113.935 -1.484 . . . . 0.0 110.807 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.87 -26.98 44.02 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.281 1.033 . . . . 0.0 109.436 178.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.84 -34.2 45.36 Favored 'General case' 0 CA--C 1.5 -0.958 0 C-N-CA 125.679 1.592 . . . . 0.0 108.802 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.26 -21.87 39.09 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 111.603 -2.544 . . . . 0.0 106.343 175.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -80.31 -26.43 38.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 112.989 -1.914 . . . . 0.0 106.928 173.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.59 -34.62 15.42 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.311 -1.313 . . . . 0.0 108.387 175.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.57 -56.18 4.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 113.54 -1.664 . . . . 0.0 112.872 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -85.92 -60.76 1.92 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 -177.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.59 -33.18 63.71 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.915 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -94.18 -25.55 17.05 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.544 0.527 . . . . 0.0 111.583 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 19.2 m120 63.56 16.04 9.32 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.92 0.888 . . . . 0.0 112.747 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 82.2 m -98.07 128.28 44.5 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.027 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.9 pp -102.68 -37.31 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.547 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 76.5 m -120.74 131.82 54.72 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.454 0.471 . . . . 0.0 110.61 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -96.86 136.24 37.7 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.365 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 pt -127.36 -45.52 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.393 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -108.01 151.23 26.11 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 123.503 0.502 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 63.44 126.3 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.936 0.894 . . . . 0.0 111.95 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 74.0 m -104.29 150.86 24.07 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.159 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 39.0 p -95.59 120.65 36.21 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 18.5 m120 65.4 -71.82 0.08 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.175 0.99 . . . . 0.0 111.933 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 22.7 mmt -143.55 -55.64 0.39 Allowed 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 122.574 0.349 . . . . 0.0 110.645 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.83 120.51 5.06 Favored Pre-proline 0 CA--C 1.539 0.534 0 O-C-N 123.427 0.454 . . . . 0.0 110.73 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -74.59 151.82 42.2 Favored 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 122.369 2.046 . . . . 0.0 112.556 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 21.8 mt -132.09 -35.59 1.2 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.627 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -83.73 122.21 28.33 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.761 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 52.6 m -134.95 -95.1 0.27 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.161 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -97.77 -59.19 1.82 Allowed 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -92.23 -33.7 14.57 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.273 0.358 . . . . 0.0 111.662 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.77 -6.17 19.84 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.3 tt -93.16 -61.93 1.48 Allowed 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.529 1.131 . . . . 0.0 108.948 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -59.91 -13.35 10.56 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.603 177.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -95.37 -37.98 10.71 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.245 1.418 . . . . 0.0 109.017 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -73.38 -14.01 61.2 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 122.168 0.985 . . . . 0.0 109.486 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 mp -93.63 -44.34 8.23 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 112.902 -1.954 . . . . 0.0 106.855 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.33 -15.28 63.5 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 113.127 -1.851 . . . . 0.0 110.056 176.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.13 -26.88 15.83 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 124.841 1.257 . . . . 0.0 107.954 177.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -80.75 -29.44 36.25 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 113.913 -1.494 . . . . 0.0 109.329 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -82.88 -30.67 28.39 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 126.513 1.925 . . . . 0.0 107.05 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -26.4 50.43 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 112.917 -1.947 . . . . 0.0 105.791 174.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -75.5 -34.51 60.83 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 113.339 -1.755 . . . . 0.0 108.59 174.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -49.25 75.79 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 123.343 1.544 . . . . 0.0 109.512 177.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.63 -29.1 1.12 Allowed 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 113.352 -1.749 . . . . 0.0 108.186 176.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.37 -31.36 10.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 112.393 -2.185 . . . . 0.0 112.999 176.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.61 -45.27 8.17 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.975 0.91 . . . . 0.0 109.528 -176.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.51 -27.82 61.58 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.698 -1.137 . . . . 0.0 108.008 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -78.22 -27.17 47.71 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -83.73 -21.77 32.18 Favored 'General case' 0 CA--C 1.509 -0.597 0 O-C-N 125.117 1.51 . . . . 0.0 108.142 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -86.47 -14.49 43.01 Favored 'General case' 0 C--N 1.34 0.195 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 175.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.3 -25.18 17.86 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 112.84 -1.982 . . . . 0.0 106.818 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -85.61 -28.79 24.57 Favored 'General case' 0 CA--C 1.494 -1.173 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 176.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.9 tp -80.84 -31.05 35.62 Favored 'General case' 0 C--O 1.207 -1.148 0 CA-C-N 111.823 -2.444 . . . . 0.0 107.989 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.22 -20.53 37.52 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 106.584 -1.635 . . . . 0.0 106.584 177.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -89.02 -31.71 17.95 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 113.056 -1.883 . . . . 0.0 108.025 176.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -86.24 -19.89 29.28 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.864 176.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.57 -60.19 4.05 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.408 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -91.3 -42.49 10.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.574 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 C-N-CA 124.379 1.071 . . . . 0.0 112.292 -179.933 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 120.761 0.315 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -114.22 -2.67 13.32 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 123.202 0.601 . . . . 0.0 111.271 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.29 -40.99 10.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.151 -177.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 tt -95.75 -61.47 1.45 Allowed 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.273 -1.33 . . . . 0.0 109.951 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -32.33 69.22 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 113.574 -1.648 . . . . 0.0 112.456 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -90.71 -17.7 26.31 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 123.974 0.796 . . . . 0.0 110.494 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.46 -22.2 32.65 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -89.78 -30.04 18.26 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 111.573 -2.558 . . . . 0.0 106.618 177.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.84 -21.98 40.32 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 113.31 -1.768 . . . . 0.0 107.886 175.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -85.18 -38.72 18.67 Favored 'General case' 0 CA--C 1.488 -1.412 0 N-CA-C 105.915 -1.883 . . . . 0.0 105.915 175.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -72.94 -20.18 61.1 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 111.814 -2.448 . . . . 0.0 108.429 176.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.15 -32.19 24.79 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 175.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -80.0 -23.35 41.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 110.936 -2.847 . . . . 0.0 108.862 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.36 -16.02 25.09 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 175.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -86.66 -25.05 25.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 111.792 -2.458 . . . . 0.0 106.17 174.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.8 -34.3 18.32 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-N 112.521 -2.127 . . . . 0.0 107.487 177.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.45 -16.67 41.75 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 112.218 -2.265 . . . . 0.0 108.163 175.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 tt -86.27 -36.07 19.57 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 104.72 -2.326 . . . . 0.0 104.72 175.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.36 -45.58 62.55 Favored 'General case' 0 N--CA 1.427 -1.608 0 CA-C-N 112.224 -2.262 . . . . 0.0 107.389 174.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -68.19 -10.88 57.64 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.104 -1.407 . . . . 0.0 108.401 175.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.65 -33.46 11.31 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 174.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.04 -56.09 3.3 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 113.207 -1.815 . . . . 0.0 111.908 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.82 -12.35 55.73 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 -176.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.07 -23.24 19.54 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.69 -38.7 62.31 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 126.243 1.817 . . . . 0.0 108.608 177.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.19 -24.29 51.43 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-N 112.684 -2.053 . . . . 0.0 107.116 176.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -83.81 -33.94 24.83 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 112.592 -2.094 . . . . 0.0 108.207 175.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.54 -34.25 65.11 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 105.609 -1.997 . . . . 0.0 105.609 174.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.09 -46.44 61.81 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 112.144 -2.298 . . . . 0.0 109.385 176.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -40.8 98.26 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.07 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.49 -4.91 47.94 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 114.72 -1.127 . . . . 0.0 112.601 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -87.32 -40.35 14.55 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.286 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 62.56 125.03 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.962 0.905 . . . . 0.0 112.236 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 84.3 m -132.9 129.87 38.93 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.9 pp -107.81 -37.05 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.5 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 93.2 m -124.55 -7.93 7.45 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.445 0.465 . . . . 0.0 111.253 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 61.54 102.93 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.997 0.919 . . . . 0.0 112.025 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.7 pp -148.69 125.13 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.916 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -130.78 145.98 52.11 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.043 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -99.68 156.67 16.96 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.4 m -90.4 149.55 22.22 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.161 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 51.5 m -97.02 149.29 22.08 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.212 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -99.07 152.87 19.36 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 1.6 mpt? 71.21 -51.28 0.69 Allowed 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.42 1.088 . . . . 0.0 112.319 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.68 104.11 24.2 Favored Pre-proline 0 CA--C 1.541 0.612 0 O-C-N 123.218 0.324 . . . . 0.0 111.202 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -60.23 -71.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.765 2.31 . . . . 0.0 113.231 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 5.7 mt 66.18 -18.46 0.11 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.776 1.23 . . . . 0.0 113.753 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 51.71 156.29 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.547 1.539 . . . . 0.0 114.085 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 51.5 m -126.12 -28.89 3.09 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.316 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -97.56 -42.15 7.81 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -88.66 -8.64 54.24 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.42 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -105.73 -7.05 18.63 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.2 tt -96.44 -69.39 0.76 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.454 0.702 . . . . 0.0 111.035 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -63.45 -13.37 39.68 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 114.812 -1.085 . . . . 0.0 112.224 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -95.79 -40.67 9.23 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.353 1.061 . . . . 0.0 109.811 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -76.19 -12.4 60.09 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.689 0.757 . . . . 0.0 109.874 177.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -93.26 -44.58 8.25 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-N 113.472 -1.694 . . . . 0.0 106.755 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.38 -19.26 65.87 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 113.263 -1.79 . . . . 0.0 110.047 176.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.57 -26.7 17.0 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.326 -1.306 . . . . 0.0 108.44 177.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.7 -10.66 53.23 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 124.62 1.2 . . . . 0.0 109.744 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -94.9 -30.91 13.92 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.293 -1.776 . . . . 0.0 106.649 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -86.67 -29.54 22.41 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 112.456 -2.156 . . . . 0.0 107.786 176.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -88.06 -14.28 39.34 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.511 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.17 -28.8 57.46 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 125.253 1.421 . . . . 0.0 111.298 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.2 -19.21 27.18 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 126.356 1.863 . . . . 0.0 106.502 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.7 -18.73 20.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 112.581 -2.1 . . . . 0.0 107.902 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.06 -36.0 11.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 177.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -78.87 -28.32 44.13 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 113.892 -1.504 . . . . 0.0 109.084 177.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -80.34 -18.36 49.31 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 174.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -92.85 -24.71 18.39 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 113.469 -1.696 . . . . 0.0 108.536 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -88.92 -16.43 31.86 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 114.207 -1.361 . . . . 0.0 108.244 177.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.89 -21.26 19.94 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 176.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.37 -36.67 22.32 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 112.926 -1.943 . . . . 0.0 106.547 176.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 7.1 tp -77.73 -28.46 50.82 Favored 'General case' 0 C--O 1.205 -1.246 0 CA-C-N 111.991 -2.368 . . . . 0.0 108.204 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.7 -20.07 34.13 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 177.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -87.99 -31.97 19.08 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 112.908 -1.951 . . . . 0.0 107.637 176.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -87.61 -16.76 33.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.376 -1.283 . . . . 0.0 109.944 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 64.1 tp -58.92 -59.79 4.89 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.015 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -92.63 -42.43 9.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.627 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.228 0 C-N-CA 124.424 1.09 . . . . 0.0 112.155 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 120.759 0.314 . . . . 0.0 111.592 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.03 -1.83 11.84 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.151 0.58 . . . . 0.0 111.04 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.83 -43.28 9.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.013 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tt -95.75 -59.47 1.86 Allowed 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.928 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -32.31 67.79 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 113.718 -1.583 . . . . 0.0 112.436 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -93.43 -11.41 32.22 Favored 'General case' 0 N--CA 1.466 0.325 0 O-C-N 124.189 0.931 . . . . 0.0 110.395 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.64 -22.9 23.21 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 175.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tp -91.13 -31.17 16.33 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 111.635 -2.529 . . . . 0.0 107.179 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.44 -19.34 39.16 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 113.325 -1.761 . . . . 0.0 107.345 175.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.53 -28.85 18.24 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 175.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -81.63 -19.15 42.39 Favored 'General case' 0 CA--C 1.511 -0.529 0 O-C-N 125.511 1.757 . . . . 0.0 106.885 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.0 -33.7 26.48 Favored 'General case' 0 N--CA 1.424 -1.766 0 N-CA-C 105.144 -2.169 . . . . 0.0 105.144 175.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 13.4 t-105 -80.96 -19.42 44.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 111.615 -2.539 . . . . 0.0 109.07 176.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.59 -19.98 23.1 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 175.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tt -81.93 -41.34 21.0 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 111.287 -2.688 . . . . 0.0 106.21 175.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -72.37 -28.32 62.94 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 113.5 -1.682 . . . . 0.0 107.091 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.26 -19.4 36.44 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 112.183 -2.28 . . . . 0.0 107.652 175.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 8.1 tp -85.31 -35.86 21.19 Favored 'General case' 0 C--N 1.347 0.483 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 175.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.92 -29.09 55.51 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-N 113.513 -1.676 . . . . 0.0 106.733 176.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.64 -17.64 40.83 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 112.497 -2.138 . . . . 0.0 108.776 175.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -32.36 20.06 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 104.562 -2.384 . . . . 0.0 104.562 175.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.33 -41.56 63.34 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 112.605 -2.089 . . . . 0.0 106.868 174.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.55 -12.79 60.0 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 112.109 -2.314 . . . . 0.0 110.815 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -29.3 63.22 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 124.521 1.128 . . . . 0.0 109.794 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 mp -75.93 -48.13 22.46 Favored 'General case' 0 C--O 1.203 -1.347 0 CA-C-N 113.973 -1.467 . . . . 0.0 107.366 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.94 -21.47 65.98 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 112.687 -2.051 . . . . 0.0 107.644 174.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -79.17 -27.55 42.69 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 113.519 -1.673 . . . . 0.0 106.917 173.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.07 -38.21 11.74 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 113.945 -1.48 . . . . 0.0 108.981 175.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.1 -56.93 3.51 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 113.335 -1.757 . . . . 0.0 114.009 -178.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.36 -42.98 16.45 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -176.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.55 -5.19 31.44 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 2.5 m95 -93.99 -45.85 7.41 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 111.447 0.165 . . . . 0.0 111.447 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 18.7 m120 57.71 23.92 10.04 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.744 0.818 . . . . 0.0 112.682 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 49.5 t -93.86 -43.95 8.34 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.35 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.0 pp -141.29 135.18 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 O-C-N 123.386 0.429 . . . . 0.0 111.178 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 84.4 m -128.34 -45.3 1.37 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.501 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 63.34 151.86 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.827 0.851 . . . . 0.0 112.077 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.36 -54.15 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.757 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -136.68 -45.93 0.6 Allowed 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.216 0.322 . . . . 0.0 111.47 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -113.4 152.74 29.63 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.345 0.403 . . . . 0.0 111.344 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 25.8 p -95.84 -38.99 10.05 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.18 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 11.8 t 71.63 -42.12 0.52 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.535 1.134 . . . . 0.0 112.85 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -94.76 -63.19 1.2 Allowed 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.76 139.3 25.01 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.067 0.229 . . . . 0.0 110.975 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -117.73 89.37 32.97 Favored Pre-proline 0 CA--C 1.544 0.72 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.701 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.66 152.24 33.05 Favored 'Trans proline' 0 C--N 1.372 1.804 0 C-N-CA 122.732 2.288 . . . . 0.0 113.053 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 22.3 mt -113.42 -14.75 12.72 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.448 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -92.38 -4.51 53.71 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.818 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 63.6 m -128.01 -23.15 3.38 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -97.17 -55.51 2.83 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.48 0.178 . . . . 0.0 111.48 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -92.53 -9.18 42.22 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.57 -7.4 28.25 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.7 mt -96.22 -68.81 0.78 Allowed 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.503 0.721 . . . . 0.0 110.951 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -56.8 -15.6 4.99 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.407 -1.27 . . . . 0.0 112.024 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -95.51 -40.68 9.33 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 124.525 1.13 . . . . 0.0 109.568 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -75.02 -12.37 60.31 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.982 0.896 . . . . 0.0 109.645 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -93.04 -46.16 7.58 Favored 'General case' 0 CA--C 1.496 -1.125 0 CA-C-N 113.093 -1.867 . . . . 0.0 106.601 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.27 -19.94 63.76 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 113.262 -1.79 . . . . 0.0 110.023 176.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.23 -26.57 17.3 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 114.313 -1.312 . . . . 0.0 108.534 177.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -88.72 -11.85 43.97 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.289 -1.323 . . . . 0.0 109.624 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -94.61 -33.55 12.96 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 126.267 1.827 . . . . 0.0 106.089 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -77.05 -30.52 55.68 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 112.581 -2.099 . . . . 0.0 106.657 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -84.35 -13.62 51.83 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 113.877 -1.51 . . . . 0.0 109.792 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -85.06 -13.28 50.91 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.733 1.213 . . . . 0.0 110.707 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -94.66 -26.52 16.29 Favored 'General case' 0 CA--C 1.491 -1.291 0 C-N-CA 126.972 2.109 . . . . 0.0 105.707 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.38 -22.52 22.54 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 109.056 -3.702 . . . . 0.0 107.896 177.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.17 -33.34 19.42 Favored 'General case' 0 C--N 1.343 0.315 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 176.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -78.17 -30.62 49.2 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 112.673 -2.058 . . . . 0.0 107.877 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -77.51 -25.58 50.43 Favored 'General case' 0 C--N 1.345 0.378 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 174.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -85.53 -21.04 28.77 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 113.841 -1.527 . . . . 0.0 108.043 176.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -86.86 -13.86 43.72 Favored 'General case' 0 C--N 1.341 0.224 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 175.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.17 -24.32 18.27 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 112.742 -2.026 . . . . 0.0 106.602 176.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -85.22 -29.83 24.36 Favored 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 175.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 tp -80.77 -29.39 36.17 Favored 'General case' 0 C--O 1.208 -1.131 0 CA-C-N 111.787 -2.46 . . . . 0.0 107.921 175.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.1 -20.42 38.14 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 176.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -88.99 -32.42 17.64 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 112.847 -1.979 . . . . 0.0 107.975 176.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -87.15 -17.18 33.34 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.969 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.48 -60.03 4.12 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.187 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -86.77 -42.01 13.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.564 -1.198 . . . . 0.0 111.637 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.267 0 C-N-CA 124.368 1.067 . . . . 0.0 112.301 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 88.8 mtp . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.395 0.141 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 51.74 -1.21 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.042 1.737 . . . . 0.0 114.696 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.61 -42.49 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.815 0.817 . . . . 0.0 109.716 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -95.05 -53.1 3.94 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 113.068 -1.878 . . . . 0.0 108.386 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -31.85 61.96 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 113.332 -1.758 . . . . 0.0 111.535 179.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -93.85 -12.22 29.44 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.589 1.18 . . . . 0.0 110.348 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -22.5 21.84 Favored 'General case' 0 C--N 1.339 0.127 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.79 -31.2 15.84 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 111.773 -2.467 . . . . 0.0 107.121 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.21 -20.31 38.01 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 113.337 -1.756 . . . . 0.0 107.523 175.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -29.04 18.72 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 176.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -81.14 -19.93 42.43 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 125.467 1.729 . . . . 0.0 106.849 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.75 -34.43 27.15 Favored 'General case' 0 N--CA 1.422 -1.863 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 175.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -79.37 -19.17 50.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 111.699 -2.5 . . . . 0.0 108.86 176.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.63 -19.11 24.03 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 174.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.93 -31.95 23.36 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 111.221 -2.718 . . . . 0.0 107.01 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -82.59 -26.78 31.99 Favored 'General case' 0 CA--C 1.489 -1.367 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.53 -16.96 40.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 111.803 -2.453 . . . . 0.0 106.801 174.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.57 -27.41 20.26 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 174.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.43 -29.63 27.92 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 175.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.27 -19.61 36.0 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 112.241 -2.254 . . . . 0.0 109.263 175.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -30.4 20.61 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 104.044 -2.576 . . . . 0.0 104.044 175.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -46.89 51.1 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-N 112.49 -2.141 . . . . 0.0 106.191 174.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.62 -12.85 61.36 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 112.552 -2.113 . . . . 0.0 110.5 177.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.47 -25.17 29.1 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 124.711 1.204 . . . . 0.0 109.417 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 tt -86.05 -45.69 11.18 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 126.185 1.794 . . . . 0.0 107.314 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.0 -21.01 64.17 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 125.277 1.61 . . . . 0.0 107.055 174.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -75.77 -27.22 57.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 113.182 -1.826 . . . . 0.0 106.753 173.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.73 -38.46 10.78 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 113.525 -1.671 . . . . 0.0 109.093 175.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.11 -54.61 5.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 113.624 -1.626 . . . . 0.0 113.848 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -44.97 10.76 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -176.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.3 -8.82 42.96 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -92.41 -13.06 30.62 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 62.94 125.79 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.043 0.937 . . . . 0.0 112.301 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 24.9 p -132.22 134.05 44.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.537 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.2 pp -109.36 -59.74 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 O-C-N 123.423 0.452 . . . . 0.0 111.614 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 49.7 t -154.53 -43.7 0.09 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.476 0.31 . . . . 0.0 111.283 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -94.63 -14.97 24.4 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.453 0.471 . . . . 0.0 112.26 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 tt 56.07 167.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 124.446 1.098 . . . . 0.0 112.532 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -93.6 142.84 26.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -98.7 161.7 13.51 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.772 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 81.8 m -88.96 161.14 16.79 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.311 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 54.0 m -83.25 -36.07 24.85 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.896 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -92.42 -47.59 7.08 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.365 0.416 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 7.8 ttt 60.52 121.58 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.059 0.944 . . . . 0.0 112.024 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.95 -49.52 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.672 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.846 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.94 156.88 23.79 Favored 'Trans proline' 0 C--N 1.38 2.233 0 C-N-CA 122.35 2.034 . . . . 0.0 112.62 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 21.4 mt -95.43 -11.72 27.14 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.798 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -107.2 -53.95 2.54 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.898 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 48.8 m 69.58 -35.8 0.32 Allowed 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 124.458 1.103 . . . . 0.0 113.195 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -97.22 -44.85 6.75 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 122.399 0.279 . . . . 0.0 111.283 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -87.54 -9.15 55.24 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.414 0.446 . . . . 0.0 111.482 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.94 -7.06 34.14 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.887 0.475 . . . . 0.0 111.918 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -95.83 -68.22 0.81 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.073 0.949 . . . . 0.0 111.206 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -59.84 -13.76 12.05 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 114.581 -1.191 . . . . 0.0 112.208 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -94.77 -37.95 11.01 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.379 1.072 . . . . 0.0 108.674 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -76.61 -12.1 59.96 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 122.096 0.95 . . . . 0.0 109.109 175.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 tt -93.16 -44.64 8.26 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 126.859 2.064 . . . . 0.0 106.71 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.1 -19.28 65.61 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 113.405 -1.725 . . . . 0.0 109.993 176.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.19 -25.89 18.46 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.456 -1.247 . . . . 0.0 108.37 177.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -85.53 -14.79 44.82 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.608 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -94.99 -29.28 14.71 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 126.177 1.791 . . . . 0.0 106.314 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -32.57 30.0 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 112.464 -2.153 . . . . 0.0 106.965 175.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -82.24 -14.24 55.81 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 114.229 -1.35 . . . . 0.0 109.647 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 3.0 tt -83.89 -38.55 20.98 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 125.04 1.336 . . . . 0.0 109.359 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -16.85 56.36 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 112.445 -2.161 . . . . 0.0 107.439 176.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.14 -22.86 18.2 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 112.756 -2.02 . . . . 0.0 107.409 177.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.78 -39.64 16.9 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 175.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -71.74 -29.72 64.82 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 112.939 -1.937 . . . . 0.0 108.875 176.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -82.19 -16.94 47.96 Favored 'General case' 0 C--N 1.345 0.405 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 174.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.4 -22.95 19.36 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 113.677 -1.601 . . . . 0.0 107.44 176.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -90.08 -15.16 32.26 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 113.781 -1.554 . . . . 0.0 107.616 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.89 -21.97 19.53 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 176.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -36.14 23.46 Favored 'General case' 0 N--CA 1.427 -1.595 0 CA-C-N 112.672 -2.058 . . . . 0.0 106.257 176.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 11.8 tp -77.36 -28.17 52.87 Favored 'General case' 0 C--O 1.205 -1.261 0 CA-C-N 111.91 -2.405 . . . . 0.0 108.037 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.61 -20.55 36.19 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 176.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -89.27 -32.54 17.33 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 112.794 -2.003 . . . . 0.0 108.027 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -86.7 -18.38 31.37 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.961 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mt -56.59 -60.0 4.17 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.577 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -82.54 -41.24 19.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.515 -1.22 . . . . 0.0 112.091 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.087 -0.959 . . . . 0.0 111.327 -179.866 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ttp . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 120.595 0.235 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -112.32 -2.65 14.75 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.26 0.553 . . . . 0.0 111.021 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.28 -40.31 11.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.013 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 tt -95.78 -62.32 1.31 Allowed 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 114.253 -1.339 . . . . 0.0 109.969 -179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -31.5 68.58 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 113.693 -1.594 . . . . 0.0 112.494 -179.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -91.76 -12.0 35.11 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 124.09 0.869 . . . . 0.0 110.375 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.16 -21.11 23.48 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 105.906 -1.886 . . . . 0.0 105.906 175.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -90.2 -36.4 14.8 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 111.267 -2.697 . . . . 0.0 106.686 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.89 -19.23 52.41 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 113.215 -1.811 . . . . 0.0 107.899 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.72 -29.58 18.64 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 175.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -81.56 -18.45 44.87 Favored 'General case' 0 CA--C 1.512 -0.491 0 O-C-N 125.53 1.769 . . . . 0.0 107.208 176.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.76 -31.5 23.94 Favored 'General case' 0 N--CA 1.428 -1.549 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 175.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 -80.68 -22.71 40.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 110.84 -2.891 . . . . 0.0 108.681 176.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -93.16 -17.33 23.87 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 175.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.88 -24.85 26.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 111.646 -2.524 . . . . 0.0 106.379 175.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.78 -34.78 19.48 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 112.537 -2.12 . . . . 0.0 107.036 177.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.55 -17.49 44.75 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 112.048 -2.342 . . . . 0.0 108.077 175.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 tt -86.16 -35.56 20.06 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 175.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -38.92 72.72 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 111.867 -2.424 . . . . 0.0 107.867 175.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -79.25 -16.18 56.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 112.409 -2.178 . . . . 0.0 109.133 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.49 -32.55 19.39 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 104.419 -2.437 . . . . 0.0 104.419 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.06 -42.1 60.73 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 112.589 -2.096 . . . . 0.0 107.015 174.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.81 -12.69 60.22 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 112.159 -2.291 . . . . 0.0 110.648 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.27 -27.6 59.46 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.605 1.162 . . . . 0.0 109.819 178.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.1 -38.39 44.2 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 113.831 -1.531 . . . . 0.0 108.155 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.12 -20.16 49.32 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 111.587 -2.551 . . . . 0.0 106.927 175.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -79.56 -25.57 41.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 113.285 -1.78 . . . . 0.0 106.436 173.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.81 -37.81 12.11 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 113.653 -1.612 . . . . 0.0 108.814 175.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.73 -55.48 4.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 113.542 -1.663 . . . . 0.0 113.917 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.35 -43.99 13.2 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -176.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.97 -6.38 38.28 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -89.6 -40.5 12.56 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 122.93 0.144 . . . . 0.0 111.154 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -117.87 139.74 50.69 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.45 0.469 . . . . 0.0 110.811 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 83.3 m -93.95 -42.03 9.28 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.45 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.0 pp -119.19 134.84 61.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 O-C-N 123.379 0.424 . . . . 0.0 111.09 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 85.5 m -119.94 120.66 37.03 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.06 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -134.69 -42.97 0.75 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.724 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 pp -128.94 -45.29 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.5 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -105.49 131.52 52.79 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.376 0.423 . . . . 0.0 110.858 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -109.59 -37.62 5.65 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.053 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 79.1 m -93.76 160.75 14.62 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 55.2 p -88.45 36.39 0.79 Allowed 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.472 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 65.75 -73.8 0.06 Allowed 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.198 0.999 . . . . 0.0 111.909 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 6.4 tpt 56.59 171.09 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.802 0.841 . . . . 0.0 112.096 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.73 62.52 50.42 Favored Pre-proline 0 CA--C 1.55 0.948 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.501 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -86.28 164.65 9.74 Favored 'Trans proline' 0 C--N 1.372 1.784 0 C-N-CA 123.055 2.503 . . . . 0.0 112.456 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -94.84 -12.64 26.6 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.709 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -134.25 -52.77 0.84 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.795 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 8.1 t 71.05 -45.45 0.61 Allowed 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.59 1.156 . . . . 0.0 113.189 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -97.73 -48.26 5.28 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 122.384 0.274 . . . . 0.0 111.293 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -77.33 -7.16 55.58 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.543 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.38 -21.1 13.18 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 tt -97.52 -70.24 0.73 Allowed 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.141 0.577 . . . . 0.0 112.097 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -65.65 -14.8 61.93 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 114.679 -1.146 . . . . 0.0 112.104 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -95.65 -37.62 10.74 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.191 0.996 . . . . 0.0 110.232 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -75.25 -12.57 60.31 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 122.127 0.965 . . . . 0.0 109.408 176.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -93.56 -43.56 8.64 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 112.885 -1.961 . . . . 0.0 106.761 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.57 -15.64 63.26 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 113.224 -1.807 . . . . 0.0 110.295 176.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.2 -25.2 16.48 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 177.29 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 tt -77.4 -43.35 32.97 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 113.686 -1.597 . . . . 0.0 108.72 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -70.92 -31.96 68.74 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 112.635 -2.075 . . . . 0.0 108.297 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -74.96 -33.0 61.85 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -82.29 -15.17 53.93 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 113.45 -1.705 . . . . 0.0 110.111 176.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.47 -17.11 27.71 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 124.704 1.201 . . . . 0.0 109.472 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.52 -20.61 18.25 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 105.99 -1.856 . . . . 0.0 105.99 178.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.95 -26.87 15.94 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 112.234 -2.257 . . . . 0.0 108.472 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.15 -40.95 14.14 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 176.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -68.41 -28.91 67.5 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.099 -1.409 . . . . 0.0 108.74 174.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -81.52 -18.62 44.41 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -90.85 -24.18 20.34 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 113.713 -1.585 . . . . 0.0 107.777 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -87.99 -15.77 35.55 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 113.766 -1.561 . . . . 0.0 107.647 176.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.99 -21.97 19.45 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.46 -35.79 22.76 Favored 'General case' 0 N--CA 1.427 -1.605 0 CA-C-N 112.803 -1.998 . . . . 0.0 106.411 176.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 tp -76.49 -29.49 56.86 Favored 'General case' 0 C--O 1.206 -1.228 0 CA-C-N 111.878 -2.419 . . . . 0.0 108.002 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.25 -19.77 35.78 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 176.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -87.83 -31.23 19.66 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 112.778 -2.01 . . . . 0.0 107.468 176.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -87.28 -18.33 30.45 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.122 -1.399 . . . . 0.0 109.849 176.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 9.6 tt -63.63 -60.13 3.72 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.994 178.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -86.91 -43.21 12.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.874 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.216 0 C-N-CA 124.438 1.095 . . . . 0.0 112.266 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 111.294 0.109 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -91.12 0.16 57.59 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.125 0.57 . . . . 0.0 111.256 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.91 -17.79 24.7 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.03 1.332 . . . . 0.0 110.157 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -92.08 -35.61 13.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.213 -1.358 . . . . 0.0 107.481 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.39 -23.58 40.33 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 113.129 -1.851 . . . . 0.0 107.914 176.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -85.14 -27.49 26.17 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 113.271 -1.786 . . . . 0.0 109.863 177.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -22.5 38.02 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -88.55 -27.0 21.69 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 111.772 -2.467 . . . . 0.0 106.309 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.35 -21.85 30.76 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 125.271 1.607 . . . . 0.0 107.715 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -82.4 -36.09 27.05 Favored 'General case' 0 CA--C 1.487 -1.456 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 174.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -75.91 -21.91 56.62 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 111.119 -2.764 . . . . 0.0 108.372 176.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -83.23 -29.7 28.27 Favored 'General case' 0 CA--C 1.489 -1.391 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 174.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -80.7 -21.33 41.35 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 111.374 -2.648 . . . . 0.0 108.789 176.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.76 -18.05 25.62 Favored 'General case' 0 CA--C 1.494 -1.177 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 174.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -84.03 -34.01 24.36 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 111.279 -2.691 . . . . 0.0 106.595 175.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -82.44 -28.2 31.47 Favored 'General case' 0 CA--C 1.49 -1.334 0 CA-C-N 113.392 -1.731 . . . . 0.0 106.786 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.95 -17.93 38.97 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 112.099 -2.319 . . . . 0.0 107.38 175.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 44.2 tp -84.78 -37.77 20.4 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 113.75 -1.568 . . . . 0.0 107.472 175.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.3 -26.31 42.29 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 112.625 -2.08 . . . . 0.0 107.413 175.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.08 -15.53 53.15 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 113.241 -1.8 . . . . 0.0 107.62 175.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.7 -30.19 12.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 113.097 -1.865 . . . . 0.0 107.571 175.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.31 -46.53 7.99 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 113.7 -1.591 . . . . 0.0 112.553 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.06 -12.61 32.64 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -176.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -94.16 -42.68 8.85 Favored 'General case' 0 C--O 1.207 -1.158 0 CA-C-O 121.447 0.641 . . . . 0.0 109.67 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -26.71 67.41 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 112.556 -2.111 . . . . 0.0 110.017 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.92 -33.63 39.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 112.225 -2.261 . . . . 0.0 106.972 176.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -79.59 -32.35 41.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 111.733 -2.485 . . . . 0.0 108.871 176.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.58 -30.85 57.19 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 175.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 tt -71.55 -46.85 58.3 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 112.272 -2.24 . . . . 0.0 108.721 175.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -36.09 82.93 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.864 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.17 -23.92 65.92 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 114.443 -1.253 . . . . 0.0 112.864 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 48.2 m95 -88.17 -41.76 12.78 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.318 0.386 . . . . 0.0 111.369 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 63.36 142.49 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.131 0.973 . . . . 0.0 112.226 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 81.1 m -128.32 130.08 47.26 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.685 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 tp -127.33 -38.45 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 49.7 t -100.62 142.75 31.66 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.292 0.37 . . . . 0.0 110.825 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.44 130.22 45.68 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 tp -111.53 154.08 13.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.616 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -90.51 149.83 22.03 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.095 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -97.77 148.47 23.34 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.233 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.2 m -124.25 160.34 28.18 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.726 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 52.4 p -86.79 99.51 11.85 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.167 0.508 . . . . 0.0 111.228 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -145.03 160.84 40.74 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 23.5 mmt -90.3 116.3 28.16 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.24 159.78 70.77 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.294 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -69.78 -176.89 1.64 Allowed 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.592 2.195 . . . . 0.0 112.632 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 6.1 mp -75.91 -9.42 58.59 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -108.16 97.94 7.56 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.222 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 47.5 m -145.93 -163.06 1.65 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.747 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -84.18 -40.96 17.51 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.754 0.422 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -88.83 -9.81 50.37 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.644 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.47 -5.93 58.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.799 0.84 . . . . 0.0 111.759 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.4 tt -93.53 -60.05 1.86 Allowed 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.921 1.289 . . . . 0.0 109.453 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.59 -13.41 31.03 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.042 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -95.06 -37.47 11.09 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 124.877 1.271 . . . . 0.0 108.602 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -75.43 -12.58 60.28 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 122.074 0.94 . . . . 0.0 109.279 176.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 tt -93.28 -45.93 7.61 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 126.743 2.017 . . . . 0.0 106.491 178.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.61 -16.32 64.11 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 113.553 -1.658 . . . . 0.0 110.054 176.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.5 -27.27 16.07 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 114.453 -1.248 . . . . 0.0 108.389 177.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -85.16 -13.07 51.26 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 124.646 1.216 . . . . 0.0 109.585 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -95.11 -31.55 13.5 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 113.065 -1.88 . . . . 0.0 106.874 178.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.77 -29.46 25.43 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 112.587 -2.097 . . . . 0.0 107.659 176.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -85.66 -16.36 39.38 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.743 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -20.23 63.31 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 122.673 1.225 . . . . 0.0 110.823 178.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.05 -19.5 20.8 Favored 'General case' 0 C--N 1.284 -2.266 0 CA-C-N 112.207 -2.269 . . . . 0.0 106.395 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.26 -27.87 13.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 112.761 -2.018 . . . . 0.0 110.788 177.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.12 -40.29 9.69 Favored 'General case' 0 N--CA 1.445 -0.706 0 O-C-N 124.283 0.989 . . . . 0.0 108.933 -179.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -80.05 -21.89 42.95 Favored 'General case' 0 CA--C 1.51 -0.582 0 O-C-N 124.544 1.152 . . . . 0.0 109.215 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -83.35 -17.83 41.01 Favored 'General case' 0 C--N 1.349 0.546 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 173.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -92.22 -24.14 19.13 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-N 113.461 -1.699 . . . . 0.0 108.217 176.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -89.63 -16.24 30.97 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.125 -1.398 . . . . 0.0 107.98 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.97 -21.42 19.79 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 106.02 -1.844 . . . . 0.0 106.02 176.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.73 -36.24 23.81 Favored 'General case' 0 N--CA 1.426 -1.63 0 CA-C-N 112.937 -1.938 . . . . 0.0 106.501 175.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 12.4 tp -76.36 -29.99 57.41 Favored 'General case' 0 C--O 1.205 -1.273 0 CA-C-N 111.812 -2.449 . . . . 0.0 108.017 176.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.31 -19.91 35.36 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 177.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -87.91 -31.4 19.47 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 113.045 -1.889 . . . . 0.0 107.51 176.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -87.5 -16.45 34.69 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.348 -1.296 . . . . 0.0 110.011 176.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.1 -60.46 2.79 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.208 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -87.5 -43.48 12.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.691 -1.141 . . . . 0.0 111.893 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.209 0 C-N-CA 124.351 1.061 . . . . 0.0 112.292 -179.794 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 120.859 0.361 . . . . 0.0 111.668 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -115.85 -3.19 12.21 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.218 0.607 . . . . 0.0 111.446 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.36 -42.86 9.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.464 -177.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -96.2 -52.71 3.9 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.583 -178.562 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -31.41 71.99 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 113.949 -1.478 . . . . 0.0 112.203 -178.872 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -91.67 -11.65 36.37 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 124.185 0.928 . . . . 0.0 110.269 178.438 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -22.14 23.53 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 175.015 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 tt -87.87 -40.73 13.75 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 111.228 -2.714 . . . . 0.0 106.319 177.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.47 -17.13 59.47 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 125.412 1.695 . . . . 0.0 107.978 176.347 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -28.78 23.34 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 174.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -83.59 -19.06 36.22 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 112.987 -1.915 . . . . 0.0 107.753 177.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -89.45 -21.66 22.89 Favored 'General case' 0 CA--C 1.493 -1.219 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 175.227 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -88.37 -24.08 23.2 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 110.982 -2.826 . . . . 0.0 108.948 176.383 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -92.04 -18.98 22.85 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 176.066 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tt -81.38 -36.48 29.54 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-N 111.723 -2.489 . . . . 0.0 106.087 175.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.89 -35.82 62.27 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 112.174 -2.285 . . . . 0.0 107.982 176.069 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.55 -17.41 48.5 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 112.319 -2.219 . . . . 0.0 108.368 176.101 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 tt -84.44 -35.77 22.81 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 105.238 -2.134 . . . . 0.0 105.238 174.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.71 -38.96 67.33 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 112.118 -2.31 . . . . 0.0 108.267 176.16 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -78.99 -16.06 57.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 112.761 -2.018 . . . . 0.0 108.935 176.308 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -31.36 18.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 104.429 -2.434 . . . . 0.0 104.429 174.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 tt -75.63 -41.46 54.15 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 112.373 -2.194 . . . . 0.0 106.608 175.111 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.05 -12.23 59.91 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 113.25 -1.796 . . . . 0.0 110.529 177.186 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.61 -29.16 59.12 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 124.714 1.206 . . . . 0.0 109.668 178.489 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 tt -77.58 -45.82 24.09 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-N 113.855 -1.521 . . . . 0.0 107.1 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.3 -20.41 63.02 Favored 'General case' 0 C--O 1.219 -0.536 0 O-C-N 125.682 1.864 . . . . 0.0 107.283 175.072 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -79.35 -25.83 42.19 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 113.391 -1.732 . . . . 0.0 106.788 173.327 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.96 -35.77 11.86 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 113.799 -1.546 . . . . 0.0 108.994 175.637 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.66 -53.82 5.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 113.651 -1.613 . . . . 0.0 113.387 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.6 -46.32 9.65 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -176.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.31 -31.06 68.21 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -178.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -89.43 -39.66 13.23 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 -179.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -95.8 126.84 41.33 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.335 0.397 . . . . 0.0 110.792 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 83.1 m -104.36 -42.32 5.51 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.525 -179.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.5 pt -120.64 116.55 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 O-C-N 123.347 0.405 . . . . 0.0 111.484 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 83.1 m -132.2 130.43 41.01 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.612 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -116.85 -47.99 2.68 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.492 0.495 . . . . 0.0 111.379 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 pp -145.14 -45.88 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 123.286 0.366 . . . . 0.0 111.75 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -119.77 148.51 43.34 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.353 0.408 . . . . 0.0 111.05 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -121.82 152.11 39.89 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.066 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 49.8 t -97.88 129.2 44.84 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 41.5 p -113.01 150.82 31.41 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.01 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -98.13 -45.81 6.09 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 64.7 mtt -133.64 121.71 22.41 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 123.279 0.362 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.38 108.5 12.29 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.788 179.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.19 -77.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.539 2.159 . . . . 0.0 113.118 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -133.12 -30.75 1.32 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.664 0.269 . . . . 0.0 111.581 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -90.31 135.33 33.74 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.025 -179.46 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 19.2 t -141.69 -79.21 0.25 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.492 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -98.52 -64.85 1.0 Allowed 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -91.99 -9.32 43.37 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -177.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.39 -6.29 22.07 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.393 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 tt -94.85 -67.87 0.83 Allowed 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.233 1.013 . . . . 0.0 110.223 -178.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -59.24 -12.98 6.22 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.538 178.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -95.76 -40.56 9.29 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.743 1.217 . . . . 0.0 109.425 179.045 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -74.77 -12.5 60.42 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 121.849 0.833 . . . . 0.0 109.702 177.217 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.03 -44.03 8.61 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 113.192 -1.822 . . . . 0.0 107.036 178.292 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.82 -17.02 64.38 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 113.013 -1.903 . . . . 0.0 109.889 176.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.08 -26.26 16.11 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 114.451 -1.25 . . . . 0.0 107.901 177.331 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 42.5 tp -74.69 -39.82 61.74 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 114.099 -1.41 . . . . 0.0 110.491 178.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -75.09 -31.47 61.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 112.717 -2.038 . . . . 0.0 107.916 177.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -30.88 57.26 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 113.271 -1.786 . . . . 0.0 106.197 175.153 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -84.71 -14.43 48.42 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 113.542 -1.663 . . . . 0.0 109.951 175.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -89.42 -17.27 29.08 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.119 0.967 . . . . 0.0 109.993 178.653 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -21.0 18.39 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 178.733 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.8 -20.86 19.12 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 111.79 -2.459 . . . . 0.0 107.108 177.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.0 -36.32 19.84 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 175.909 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -76.45 -31.7 57.99 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 112.973 -1.921 . . . . 0.0 107.862 176.565 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -78.26 -25.61 46.88 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 174.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.73 -19.25 31.1 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 124.983 1.427 . . . . 0.0 107.955 176.657 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -86.43 -14.88 41.97 Favored 'General case' 0 C--N 1.343 0.318 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 174.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.33 -25.05 17.9 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 112.509 -2.132 . . . . 0.0 106.838 176.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -86.28 -28.84 23.51 Favored 'General case' 0 CA--C 1.497 -1.078 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 175.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.0 tp -79.34 -32.03 43.19 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-N 111.967 -2.379 . . . . 0.0 107.765 176.012 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.95 -20.29 38.92 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 177.025 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -86.56 -31.28 21.31 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 112.978 -1.919 . . . . 0.0 107.355 176.017 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -86.52 -17.51 33.93 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.254 -1.339 . . . . 0.0 109.903 176.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 8.4 tt -70.03 -60.11 2.49 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.568 178.439 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -79.13 -53.45 6.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.015 179.377 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.186 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.375 179.843 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ptt? . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.046 0.451 . . . . 0.0 111.463 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -119.19 -2.31 10.72 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.132 0.573 . . . . 0.0 111.602 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.61 -43.64 9.51 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.017 -177.527 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tt -95.68 -60.26 1.69 Allowed 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 125.047 1.339 . . . . 0.0 109.571 -179.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -32.5 65.31 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 113.515 -1.675 . . . . 0.0 112.527 -179.253 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -94.38 -11.31 30.17 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.247 0.967 . . . . 0.0 110.486 179.248 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.21 -22.71 22.63 Favored 'General case' 0 N--CA 1.461 0.116 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 175.634 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tp -91.29 -31.53 16.07 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 111.82 -2.445 . . . . 0.0 107.287 177.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.52 -19.96 37.66 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 113.39 -1.732 . . . . 0.0 107.505 176.099 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.37 -28.78 18.46 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 176.018 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -81.15 -19.75 42.79 Favored 'General case' 0 CA--C 1.51 -0.587 0 O-C-N 125.415 1.697 . . . . 0.0 106.831 176.534 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.83 -34.92 26.77 Favored 'General case' 0 N--CA 1.421 -1.901 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 175.419 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -79.92 -18.38 50.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 111.595 -2.548 . . . . 0.0 108.903 176.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -91.92 -17.85 24.6 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 105.545 -2.02 . . . . 0.0 105.545 174.668 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -84.91 -33.18 22.79 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 111.084 -2.78 . . . . 0.0 106.547 175.36 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -83.87 -27.47 28.64 Favored 'General case' 0 CA--C 1.492 -1.259 0 CA-C-N 113.585 -1.643 . . . . 0.0 106.823 177.102 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.83 -16.45 41.31 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 112.207 -2.269 . . . . 0.0 107.482 175.519 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 tt -85.9 -37.83 18.69 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 175.014 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.95 -31.52 59.1 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 113.105 -1.862 . . . . 0.0 107.548 176.085 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.18 -18.35 43.01 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 112.849 -1.978 . . . . 0.0 108.837 176.111 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.13 -31.65 20.3 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 104.408 -2.442 . . . . 0.0 104.408 175.391 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 tt -73.34 -42.85 61.77 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 112.567 -2.106 . . . . 0.0 106.115 174.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.01 -14.45 61.43 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 113.538 -1.665 . . . . 0.0 110.474 177.147 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.41 -26.83 41.83 Favored 'General case' 0 C--O 1.213 -0.836 0 C-N-CA 124.615 1.166 . . . . 0.0 109.909 178.715 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.45 -24.69 36.66 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 125.644 1.578 . . . . 0.0 109.706 179.798 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.15 -24.54 22.17 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 111.098 -2.774 . . . . 0.0 106.226 177.138 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -83.07 -35.14 25.94 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 112.34 -2.209 . . . . 0.0 107.922 175.089 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.42 -34.42 63.25 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 175.654 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.06 -44.97 68.05 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 112.53 -2.123 . . . . 0.0 110.243 176.855 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -62.43 -70.47 0.2 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 122.78 1.276 . . . . 0.0 112.749 -179.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.65 -24.64 3.47 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 111.576 -2.557 . . . . 0.0 113.766 -178.431 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 14.3 m95 -91.77 -50.82 5.54 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.392 0.433 . . . . 0.0 111.583 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -142.79 121.88 12.89 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.149 0.28 . . . . 0.0 111.297 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 83.0 m -99.61 -49.92 4.24 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.867 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.2 pp -147.15 99.29 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 179.549 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 48.8 t -141.61 149.88 41.27 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -100.13 -41.03 7.3 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.001 179.721 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.42 121.71 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 O-C-N 123.424 0.452 . . . . 0.0 110.967 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -129.32 146.35 51.22 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.61 0.569 . . . . 0.0 111.206 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -129.15 128.93 44.41 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.795 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 49.8 t -128.01 -41.82 1.6 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.237 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 14.4 t 62.67 122.19 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.971 0.909 . . . . 0.0 111.759 -179.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -113.61 131.66 56.04 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.084 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 23.0 mmt -101.13 -40.54 7.14 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.061 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.84 -44.18 0.05 OUTLIER Pre-proline 0 CA--C 1.543 0.677 0 CA-C-O 118.78 -0.629 . . . . 0.0 112.432 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -72.68 157.28 52.47 Favored 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 122.414 2.076 . . . . 0.0 113.002 -179.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.84 -10.06 10.54 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.572 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -64.4 110.89 2.42 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.171 0.588 . . . . 0.0 111.849 -179.709 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 58.2 p -143.91 -116.96 0.09 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -97.97 -49.37 4.8 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 122.515 0.326 . . . . 0.0 111.45 -179.448 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -80.69 -9.58 59.79 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.662 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.78 -6.53 22.49 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.644 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.3 tt -94.34 -66.1 0.94 Allowed 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.67 1.188 . . . . 0.0 109.743 -178.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -57.81 -14.75 6.48 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 114.799 -1.092 . . . . 0.0 111.3 178.559 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -95.44 -38.04 10.64 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 124.986 1.314 . . . . 0.0 109.395 178.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -75.4 -12.75 60.32 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 122.126 0.965 . . . . 0.0 109.61 176.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -93.29 -44.05 8.5 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 112.895 -1.957 . . . . 0.0 106.74 178.277 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.37 -15.46 63.32 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 113.065 -1.879 . . . . 0.0 110.15 176.402 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.03 -25.83 16.32 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 177.316 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 34.6 tp -77.37 -37.22 52.65 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 113.707 -1.588 . . . . 0.0 109.97 178.307 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -76.74 -30.77 56.73 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 112.375 -2.193 . . . . 0.0 108.16 177.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -79.54 -30.65 41.83 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 113.311 -1.768 . . . . 0.0 106.671 175.401 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -84.71 -14.91 46.97 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 113.748 -1.569 . . . . 0.0 109.898 175.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 tt -84.2 -37.86 21.31 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 124.532 1.133 . . . . 0.0 109.259 178.468 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.35 -18.95 58.64 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 112.741 -2.027 . . . . 0.0 107.427 176.495 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.51 -19.89 20.13 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 112.591 -2.095 . . . . 0.0 106.868 177.301 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.03 -39.91 17.47 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 176.212 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -75.78 -29.18 58.69 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 113.024 -1.898 . . . . 0.0 108.511 177.174 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -82.4 -16.58 48.55 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 174.179 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.48 -23.01 19.26 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 113.626 -1.624 . . . . 0.0 107.515 176.166 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -90.01 -15.64 31.45 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 113.791 -1.55 . . . . 0.0 107.723 176.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.92 -21.98 19.5 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 176.272 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -36.36 22.82 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 112.655 -2.066 . . . . 0.0 106.277 176.255 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 12.0 tp -76.9 -28.17 55.24 Favored 'General case' 0 C--O 1.202 -1.402 0 CA-C-N 111.973 -2.376 . . . . 0.0 108.084 176.074 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.72 -20.47 35.97 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 176.746 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -89.24 -32.74 17.26 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 112.9 -1.955 . . . . 0.0 108.098 176.555 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -88.03 -16.16 34.39 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.251 177.085 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mt -57.14 -59.97 4.31 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.437 178.582 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -82.3 -41.54 19.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.007 179.442 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.313 -179.917 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 72.1 mtm . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.153 0.501 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -122.35 -0.1 9.38 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.171 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.94 -45.47 8.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.21 -178.285 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -96.06 -50.96 4.63 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.268 -1.333 . . . . 0.0 110.03 -178.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -31.45 72.67 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 113.719 -1.582 . . . . 0.0 111.952 -179.146 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -93.63 -10.9 33.01 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.407 1.067 . . . . 0.0 110.211 178.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.86 -23.3 22.82 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 175.728 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tp -91.12 -31.4 16.24 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 111.73 -2.486 . . . . 0.0 107.055 177.771 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.54 -19.19 39.11 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 113.439 -1.71 . . . . 0.0 107.382 175.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.33 -29.57 19.05 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 175.898 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -81.28 -19.21 43.48 Favored 'General case' 0 CA--C 1.512 -0.489 0 O-C-N 125.427 1.704 . . . . 0.0 107.056 176.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.88 -32.2 23.31 Favored 'General case' 0 N--CA 1.427 -1.603 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 175.561 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -79.6 -22.72 43.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 111.081 -2.781 . . . . 0.0 108.644 176.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -91.86 -18.36 23.91 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 175.551 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.32 -24.66 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 111.72 -2.491 . . . . 0.0 106.795 175.561 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.17 -33.44 20.82 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-N 112.59 -2.095 . . . . 0.0 106.385 176.862 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.96 -16.95 45.3 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 111.66 -2.518 . . . . 0.0 107.918 175.25 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -88.59 -25.63 22.37 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 174.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.17 -37.74 25.69 Favored 'General case' 0 N--CA 1.427 -1.575 0 CA-C-N 112.548 -2.115 . . . . 0.0 107.204 176.554 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -79.17 -16.56 56.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 112.356 -2.202 . . . . 0.0 109.109 176.236 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -30.27 19.2 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 104.393 -2.447 . . . . 0.0 104.393 175.016 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 tt -76.72 -40.74 47.65 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 112.452 -2.158 . . . . 0.0 106.491 174.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.7 -12.23 59.95 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 113.219 -1.81 . . . . 0.0 110.342 177.424 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.02 -31.71 66.45 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 124.683 1.193 . . . . 0.0 109.516 178.312 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 tt -72.95 -51.7 17.41 Favored 'General case' 0 C--O 1.213 -0.834 0 C-N-CA 126.065 1.746 . . . . 0.0 107.462 179.488 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.45 -21.05 66.19 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 112.164 -2.289 . . . . 0.0 107.792 174.411 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -82.11 -26.25 33.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 113.619 -1.628 . . . . 0.0 107.411 173.736 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.26 -40.59 12.06 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 114.077 -1.42 . . . . 0.0 108.823 175.725 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 6.8 mp -87.9 -56.11 3.48 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 113.784 -1.553 . . . . 0.0 114.267 -178.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -42.79 46.47 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -176.526 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.85 -4.64 39.04 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.93 -179.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -71.82 -34.56 69.42 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 122.522 0.329 . . . . 0.0 111.436 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 18.5 m120 62.78 130.22 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.182 0.993 . . . . 0.0 112.56 179.483 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 83.4 m -133.28 128.74 36.44 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.571 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.8 pp -110.48 -41.93 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.819 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -134.55 146.17 49.41 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.294 0.372 . . . . 0.0 110.792 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -99.99 117.73 34.89 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.901 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.6 tp -139.64 147.46 24.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.645 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -100.48 126.2 46.87 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -131.06 156.93 44.35 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.1 m -92.0 105.78 17.95 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 53.4 m -140.35 156.06 46.56 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.744 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -93.27 121.62 34.83 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.565 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 64.8 mtt -102.94 148.95 25.03 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.055 -179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.16 -46.04 0.06 OUTLIER Pre-proline 0 CA--C 1.543 0.698 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.288 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -77.91 151.71 27.89 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 122.313 2.009 . . . . 0.0 113.031 -179.726 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 33.5 mt -110.0 -11.01 14.69 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.832 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -75.1 99.1 3.84 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.187 -179.578 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 48.9 m -149.67 -65.58 0.22 Allowed 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.666 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -98.64 -70.1 0.74 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -177.799 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -90.58 -9.04 48.58 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -177.73 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.01 -7.56 16.12 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -179.386 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.7 tt -96.81 -69.64 0.75 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 123.873 0.869 . . . . 0.0 110.689 -179.557 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.8 -13.73 26.53 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 114.518 -1.219 . . . . 0.0 112.253 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -95.85 -40.3 9.39 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 124.391 1.077 . . . . 0.0 109.681 179.124 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -76.58 -12.47 60.02 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.834 0.826 . . . . 0.0 109.976 177.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.42 -43.08 8.93 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 113.433 -1.712 . . . . 0.0 106.604 178.009 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.1 -19.27 65.79 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 113.03 -1.896 . . . . 0.0 109.808 175.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.73 -24.85 17.68 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 114.273 -1.331 . . . . 0.0 108.24 177.699 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -85.76 -11.0 54.66 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.368 178.244 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -95.62 -31.84 13.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 112.776 -2.011 . . . . 0.0 106.539 178.738 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -29.68 23.68 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 112.518 -2.128 . . . . 0.0 107.492 176.38 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -81.68 -14.15 56.96 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.256 176.002 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 tp -82.49 -30.35 29.94 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 124.87 1.268 . . . . 0.0 110.298 178.118 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -18.72 35.46 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 127.103 2.161 . . . . 0.0 106.629 177.352 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.84 -18.71 20.94 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 112.265 -2.243 . . . . 0.0 106.422 176.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.04 -40.34 13.92 Favored 'General case' 0 C--N 1.346 0.414 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 175.882 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -75.09 -27.54 59.93 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 113.299 -1.773 . . . . 0.0 108.618 177.049 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -82.77 -17.29 44.71 Favored 'General case' 0 C--N 1.346 0.416 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 174.211 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.3 -22.93 19.46 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 113.37 -1.741 . . . . 0.0 107.526 176.255 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -90.83 -14.55 31.63 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 113.766 -1.561 . . . . 0.0 107.574 176.566 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.07 -21.84 19.48 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 105.839 -1.912 . . . . 0.0 105.839 175.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -36.03 23.05 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 112.619 -2.082 . . . . 0.0 106.42 176.186 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 tp -78.0 -27.75 49.08 Favored 'General case' 0 C--O 1.205 -1.255 0 CA-C-N 111.87 -2.423 . . . . 0.0 108.035 176.166 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.74 -20.57 35.71 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 176.701 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -89.31 -32.39 17.37 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 112.723 -2.035 . . . . 0.0 107.963 176.59 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -86.38 -18.78 30.92 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.891 177.061 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 mt -56.33 -59.83 4.39 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.4 178.591 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -81.71 -41.4 21.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.457 -1.247 . . . . 0.0 112.012 179.468 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.033 -0.984 . . . . 0.0 111.243 -179.949 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.405 0.145 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.8 -8.19 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.397 1.479 . . . . 0.0 114.452 -179.548 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.66 -42.76 8.61 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.863 0.84 . . . . 0.0 110.51 178.625 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -94.21 -38.77 10.88 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 113.167 -1.833 . . . . 0.0 109.093 -178.512 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -27.2 65.69 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 113.855 -1.52 . . . . 0.0 109.752 178.724 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -91.26 -15.43 29.2 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 113.83 -1.532 . . . . 0.0 109.634 177.348 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.14 -20.16 24.61 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 176.367 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tt -90.06 -36.32 14.97 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 111.586 -2.552 . . . . 0.0 106.314 177.577 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.37 -19.66 52.9 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 112.954 -1.93 . . . . 0.0 107.818 176.082 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.41 -29.19 19.23 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 175.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -81.29 -19.29 43.28 Favored 'General case' 0 CA--C 1.512 -0.488 0 O-C-N 125.511 1.757 . . . . 0.0 106.991 176.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.23 -31.96 22.88 Favored 'General case' 0 N--CA 1.427 -1.576 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 175.724 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -79.69 -23.21 42.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 111.043 -2.799 . . . . 0.0 108.677 176.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -92.21 -18.22 23.76 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 175.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.35 -24.17 25.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 111.644 -2.525 . . . . 0.0 106.792 175.471 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.21 -33.79 20.66 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 112.639 -2.073 . . . . 0.0 106.51 176.858 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.9 -17.38 43.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 111.687 -2.506 . . . . 0.0 107.746 175.392 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -88.28 -26.33 22.35 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 175.008 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.35 -38.0 27.38 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-N 112.638 -2.074 . . . . 0.0 107.391 176.656 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.47 -17.29 56.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 112.487 -2.142 . . . . 0.0 109.141 176.476 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.19 -29.97 18.9 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 104.587 -2.375 . . . . 0.0 104.587 175.245 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 tt -77.05 -40.94 44.45 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 112.539 -2.119 . . . . 0.0 106.644 174.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.54 -12.66 60.06 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 113.175 -1.83 . . . . 0.0 110.37 177.296 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.47 -26.64 61.89 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 124.834 1.254 . . . . 0.0 109.987 178.45 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 4.3 mp -80.64 -46.22 15.98 Favored 'General case' 0 CA--C 1.493 -1.219 0 CA-C-N 113.857 -1.52 . . . . 0.0 107.25 179.495 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.32 -21.94 64.73 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 112.601 -2.09 . . . . 0.0 107.293 174.482 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -76.6 -26.38 54.93 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 113.514 -1.676 . . . . 0.0 106.691 173.099 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.05 -38.7 10.52 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 113.706 -1.588 . . . . 0.0 109.105 175.782 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.65 -56.72 3.56 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 113.563 -1.653 . . . . 0.0 114.107 -178.591 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -43.41 27.39 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -176.551 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.3 -12.53 61.19 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -179.106 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -93.31 -12.85 29.06 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 122.299 0.24 . . . . 0.0 111.478 179.39 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 7.8 p30 49.67 -68.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 125.422 1.489 . . . . 0.0 114.357 179.643 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 82.9 m -96.35 119.02 34.07 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.894 0.378 . . . . 0.0 111.64 -179.364 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -148.73 -51.2 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.787 179.337 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 81.5 m -141.15 134.99 30.41 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.431 179.677 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -100.37 102.9 14.24 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.011 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 tp 48.11 -71.8 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 125.213 1.405 . . . . 0.0 113.75 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -113.67 156.58 23.49 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 122.457 0.303 . . . . 0.0 110.933 -179.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -92.81 144.45 25.27 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.994 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.6 m -98.71 -42.65 7.13 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.408 -179.734 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 53.4 m -121.9 141.48 51.24 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.37 0.419 . . . . 0.0 111.067 -179.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -129.13 130.59 46.62 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.757 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 65.4 mtt -128.47 -39.22 1.68 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.406 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.73 119.72 66.78 Favored Pre-proline 0 CA--C 1.541 0.614 0 O-C-N 123.442 0.464 . . . . 0.0 111.248 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.98 -72.01 0.03 OUTLIER 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 122.78 2.32 . . . . 0.0 113.996 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -117.21 -11.36 10.67 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.463 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -83.18 144.6 29.7 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.068 0.547 . . . . 0.0 111.786 -179.66 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 51.1 m 68.98 -30.37 0.19 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.419 1.088 . . . . 0.0 113.803 179.188 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -97.24 -68.9 0.78 Allowed 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.435 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -92.56 -9.72 40.18 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.378 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.95 -6.37 6.01 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.1 -65.71 0.97 Allowed 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 124.28 1.032 . . . . 0.0 108.836 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -55.85 -14.93 2.69 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 113.722 -1.581 . . . . 0.0 111.268 177.605 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -95.64 -39.55 9.85 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.0 1.32 . . . . 0.0 108.899 178.559 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -75.05 -12.97 60.44 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.44 177.095 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.05 -43.76 8.74 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 113.104 -1.862 . . . . 0.0 106.98 178.103 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.17 -18.67 65.49 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 113.121 -1.854 . . . . 0.0 109.649 175.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.07 -25.78 16.32 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 114.146 -1.388 . . . . 0.0 108.1 177.51 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -85.74 -10.69 55.18 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 114.204 -1.362 . . . . 0.0 109.344 178.651 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -94.44 -29.38 14.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 113.1 -1.864 . . . . 0.0 106.269 178.734 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -84.85 -28.81 25.79 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 112.516 -2.129 . . . . 0.0 106.589 175.255 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -86.36 -13.68 45.72 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 114.106 -1.407 . . . . 0.0 109.65 175.817 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 35.6 tp -81.02 -35.39 31.96 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.929 1.291 . . . . 0.0 111.089 179.09 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -18.6 42.53 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 111.579 -2.555 . . . . 0.0 106.894 177.414 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.73 -18.65 21.08 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 112.386 -2.188 . . . . 0.0 106.328 177.074 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.12 -38.97 14.94 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 112.663 -2.062 . . . . 0.0 105.519 175.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -75.58 -28.46 58.96 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 112.729 -2.032 . . . . 0.0 108.726 177.197 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -82.75 -16.53 47.6 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 174.06 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -92.21 -23.68 19.28 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 113.552 -1.658 . . . . 0.0 107.704 176.086 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -89.53 -15.71 32.34 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 113.741 -1.572 . . . . 0.0 107.619 176.607 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.99 -21.94 19.47 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 176.274 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.9 -36.38 23.38 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 112.762 -2.017 . . . . 0.0 106.396 176.133 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 7.9 tp -76.64 -28.79 56.19 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 111.924 -2.398 . . . . 0.0 108.094 176.185 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.81 -20.44 35.73 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 176.828 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -89.16 -33.2 17.13 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 112.875 -1.966 . . . . 0.0 107.892 176.611 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -85.25 -17.07 38.1 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.695 176.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.93 -59.54 4.9 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.164 178.056 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -82.2 -41.48 20.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.48 -1.236 . . . . 0.0 112.024 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.386 -179.871 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 22.6 mmt . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.831 0.348 . . . . 0.0 111.586 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.17 -1.23 11.9 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.11 0.564 . . . . 0.0 111.046 179.366 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.89 -43.81 9.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.184 -177.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -96.45 -54.09 3.38 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.449 -1.25 . . . . 0.0 110.281 -178.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -32.25 73.71 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 113.672 -1.604 . . . . 0.0 112.558 -178.858 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -92.64 -11.21 34.78 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 124.278 0.986 . . . . 0.0 110.126 178.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.57 -22.06 22.56 Favored 'General case' 0 C--O 1.226 -0.139 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 175.506 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.15 -28.98 16.74 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 111.893 -2.412 . . . . 0.0 106.912 177.743 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.61 -20.2 31.78 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 113.368 -1.742 . . . . 0.0 107.412 176.414 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -29.91 17.96 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 106.144 -1.798 . . . . 0.0 106.144 175.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -81.18 -19.89 42.38 Favored 'General case' 0 CA--C 1.509 -0.621 0 O-C-N 125.459 1.724 . . . . 0.0 106.914 176.733 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.35 -34.81 28.32 Favored 'General case' 0 N--CA 1.421 -1.895 0 N-CA-C 105.44 -2.059 . . . . 0.0 105.44 175.332 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -78.35 -19.86 52.55 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 111.505 -2.589 . . . . 0.0 108.612 176.79 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -91.29 -17.75 25.45 Favored 'General case' 0 CA--C 1.495 -1.162 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 174.668 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -88.41 -23.93 23.19 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 111.373 -2.648 . . . . 0.0 107.268 175.392 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -89.48 -27.5 20.29 Favored 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 176.378 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.56 -18.07 32.43 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 111.522 -2.581 . . . . 0.0 107.683 175.221 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.17 -24.35 22.2 Favored 'General case' 0 C--N 1.348 0.516 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 175.046 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.22 -37.42 23.61 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 112.735 -2.029 . . . . 0.0 107.311 176.407 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.85 -20.96 52.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 112.344 -2.207 . . . . 0.0 109.001 176.324 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -30.18 21.4 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 175.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tt -72.83 -40.01 66.11 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 173.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.75 -19.52 62.02 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 113.258 -1.792 . . . . 0.0 110.601 177.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -70.07 -46.16 65.52 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-O 122.51 1.148 . . . . 0.0 108.12 177.053 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mp -56.42 -52.0 66.27 Favored 'General case' 0 C--O 1.204 -1.336 0 CA-C-N 111.405 -2.634 . . . . 0.0 109.023 177.689 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.48 -23.61 66.29 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 125.63 1.831 . . . . 0.0 108.442 175.931 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -79.95 -25.77 40.3 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.664 -1.607 . . . . 0.0 107.347 174.101 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.0 -32.19 13.27 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 114.288 -1.324 . . . . 0.0 108.833 175.819 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.86 -53.74 5.38 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 113.736 -1.575 . . . . 0.0 112.788 -179.848 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.55 -46.44 7.96 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -177.046 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.63 -7.95 51.0 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -178.057 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -90.73 -34.5 15.34 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 m120 71.87 -41.37 0.5 Allowed 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.335 1.054 . . . . 0.0 112.525 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 49.2 t -88.45 145.29 25.85 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 122.465 0.306 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.6 pt -101.98 -42.94 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.042 -179.48 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 42.6 t -91.53 137.92 31.98 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.404 0.44 . . . . 0.0 111.438 -179.545 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -128.73 151.29 49.71 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.695 179.803 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 pt -124.21 -46.08 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.916 -179.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -99.34 149.31 23.28 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.45 0.469 . . . . 0.0 111.241 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -124.74 151.7 44.74 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.626 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 80.5 m -97.8 -51.63 4.02 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.502 -179.695 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 17.0 t -138.54 -46.63 0.5 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.256 0.347 . . . . 0.0 111.086 -179.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -102.54 139.07 38.62 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.363 0.414 . . . . 0.0 110.929 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 9.6 ttt -99.43 126.92 45.44 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.379 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.57 158.58 37.0 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.239 -179.851 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -70.04 -177.04 1.77 Allowed 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.612 2.208 . . . . 0.0 112.562 179.639 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -78.43 -10.31 59.64 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -94.12 150.22 20.52 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.934 -179.707 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 64.7 p -126.09 -32.54 2.74 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.446 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -97.49 -42.33 7.76 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.674 -179.713 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -77.48 -7.5 56.33 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.179 179.202 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.46 -32.55 8.05 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.344 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 11.0 mp -96.16 -64.34 1.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.359 1.064 . . . . 0.0 111.173 -178.448 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -60.21 -15.62 26.02 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.764 179.382 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -94.68 -34.27 12.63 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.397 1.079 . . . . 0.0 108.451 178.322 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -76.5 -12.49 60.04 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 122.394 1.092 . . . . 0.0 108.611 175.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 tt -93.23 -45.51 7.82 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 112.529 -2.123 . . . . 0.0 106.462 178.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.52 -17.02 64.07 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 113.513 -1.676 . . . . 0.0 110.155 176.574 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.69 -23.95 18.04 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 177.254 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -79.87 -30.53 40.24 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 113.791 -1.55 . . . . 0.0 109.547 178.388 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -84.1 -29.73 26.54 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 126.372 1.869 . . . . 0.0 107.468 179.031 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -80.24 -25.83 39.36 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 174.539 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -76.73 -30.48 56.63 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 113.349 -1.75 . . . . 0.0 108.802 175.543 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.62 -48.18 81.87 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 123.746 1.736 . . . . 0.0 109.023 176.3 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -26.84 2.98 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-N 112.792 -2.004 . . . . 0.0 108.331 176.604 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.18 -35.29 8.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 112.675 -2.057 . . . . 0.0 112.551 176.385 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.57 -47.84 8.0 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.235 1.014 . . . . 0.0 110.062 -176.716 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -71.06 -25.72 62.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.279 -1.328 . . . . 0.0 108.21 176.52 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -80.22 -26.16 39.26 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 174.545 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.39 -22.01 30.62 Favored 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 125.066 1.479 . . . . 0.0 108.144 176.624 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -86.05 -14.17 45.18 Favored 'General case' 0 C--N 1.341 0.237 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 175.145 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.3 -24.65 18.07 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 112.799 -2.0 . . . . 0.0 106.741 176.156 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -84.99 -30.23 24.37 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 106.138 -1.801 . . . . 0.0 106.138 175.678 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 14.4 tp -78.9 -31.52 45.4 Favored 'General case' 0 C--O 1.206 -1.234 0 CA-C-N 111.767 -2.469 . . . . 0.0 107.951 175.922 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -82.07 -20.31 38.47 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 177.082 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -87.48 -31.66 19.86 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 112.91 -1.95 . . . . 0.0 107.509 176.259 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -87.04 -16.15 36.5 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.827 176.324 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 9.3 tt -65.63 -60.08 3.28 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.218 178.672 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -82.15 -44.28 16.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.725 -1.125 . . . . 0.0 112.349 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.075 -0.964 . . . . 0.0 111.124 -179.991 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.881 0.372 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -122.72 -13.01 8.01 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.108 178.851 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.39 -15.74 28.5 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.209 1.403 . . . . 0.0 110.655 -178.78 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -92.58 -31.26 15.25 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 179.187 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.04 -24.95 26.18 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 112.88 -1.964 . . . . 0.0 108.199 177.134 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -87.68 -17.32 32.06 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 113.924 -1.489 . . . . 0.0 109.939 177.124 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.0 -21.83 23.3 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 106.185 -1.783 . . . . 0.0 106.185 176.591 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tt -88.65 -36.47 16.22 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 111.532 -2.576 . . . . 0.0 106.694 177.434 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.88 -20.72 52.46 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 113.116 -1.856 . . . . 0.0 108.065 176.311 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -28.77 19.42 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 176.136 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -80.85 -20.38 42.49 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 125.409 1.693 . . . . 0.0 106.815 176.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.22 -35.32 23.56 Favored 'General case' 0 N--CA 1.419 -1.976 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 175.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -78.86 -19.7 51.36 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 111.962 -2.381 . . . . 0.0 109.074 176.87 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.23 -19.39 24.22 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 174.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.78 -33.09 23.07 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 111.131 -2.759 . . . . 0.0 106.872 175.808 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -82.4 -27.12 32.22 Favored 'General case' 0 CA--C 1.49 -1.338 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 177.052 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.55 -19.25 35.99 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 112.107 -2.315 . . . . 0.0 107.265 175.383 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 tt -86.24 -38.57 17.46 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 113.72 -1.582 . . . . 0.0 106.84 175.532 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.04 -31.32 62.84 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 113.249 -1.796 . . . . 0.0 107.336 175.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.95 -19.25 44.57 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 112.916 -1.947 . . . . 0.0 109.017 175.841 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.03 -31.17 19.44 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 104.697 -2.334 . . . . 0.0 104.697 175.758 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tt -74.61 -42.75 58.08 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 112.713 -2.039 . . . . 0.0 106.139 175.071 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.34 -14.49 61.75 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 113.556 -1.657 . . . . 0.0 110.421 176.678 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.09 -28.41 48.71 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.558 1.143 . . . . 0.0 109.315 178.559 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tt -75.31 -46.49 33.05 Favored 'General case' 0 C--O 1.215 -0.722 0 C-N-CA 125.934 1.693 . . . . 0.0 107.693 179.094 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.6 -22.72 65.35 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 112.124 -2.307 . . . . 0.0 107.792 175.589 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -83.28 -36.49 24.45 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 113.039 -1.891 . . . . 0.0 107.666 174.257 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.71 -35.49 65.14 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 175.584 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.98 -45.71 63.57 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 112.469 -2.15 . . . . 0.0 109.643 176.882 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -37.8 74.15 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.574 178.753 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.3 -19.34 65.46 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 114.348 -1.296 . . . . 0.0 112.625 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 11.0 t-105 -93.82 -31.37 14.39 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.926 179.601 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 46.5 -86.5 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.932 1.293 . . . . 0.0 113.708 -179.867 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 83.4 m -146.38 -43.63 0.19 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.657 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.2 pp -92.07 153.09 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 123.318 0.386 . . . . 0.0 111.885 -179.375 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 49.5 t -113.97 -8.67 13.07 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.504 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 2.7 t70 66.01 154.36 0.08 Allowed 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.168 0.987 . . . . 0.0 111.839 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.5 pp -92.37 -30.56 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.024 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -88.75 -38.63 14.54 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.142 0.276 . . . . 0.0 111.438 179.357 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 18.4 m120 63.98 143.85 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.985 0.914 . . . . 0.0 112.424 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 25.3 p -97.8 -39.17 9.15 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.276 179.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 54.7 m -96.53 147.93 23.34 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.489 0.493 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -106.54 -8.82 16.85 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.732 -179.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 65.9 mtt -91.0 141.64 28.63 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.154 -179.853 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.79 113.66 24.74 Favored Pre-proline 0 CA--C 1.541 0.62 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.098 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -66.79 158.3 56.98 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.62 2.213 . . . . 0.0 112.95 179.589 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 5.9 mp -86.13 -16.17 38.78 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.938 -0.573 . . . . 0.0 112.16 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -92.66 109.47 20.89 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 123.092 0.557 . . . . 0.0 110.951 179.795 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 49.4 m -140.7 -75.35 0.33 Allowed 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.074 -179.676 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -98.55 -67.57 0.84 Allowed 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.531 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -92.15 -8.94 44.17 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -178.106 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.61 -7.52 15.66 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.426 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tt -96.68 -68.61 0.79 Allowed 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.713 0.805 . . . . 0.0 111.113 -178.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.23 -12.76 54.78 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 114.161 -1.382 . . . . 0.0 111.909 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -95.22 -37.91 10.8 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.328 1.051 . . . . 0.0 109.116 179.283 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 39.0 mttp -75.63 -12.87 60.29 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.91 0.862 . . . . 0.0 109.337 176.625 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 11.9 tp -93.52 -41.89 9.53 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 126.257 1.823 . . . . 0.0 106.989 178.026 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.52 -17.07 63.55 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 113.886 -1.506 . . . . 0.0 109.679 176.618 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.44 -26.36 17.25 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-N 114.214 -1.357 . . . . 0.0 108.184 177.717 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.76 -11.53 50.78 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 124.701 1.25 . . . . 0.0 109.374 178.68 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -95.63 -33.88 12.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.109 -1.859 . . . . 0.0 106.474 178.445 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.15 -29.84 34.6 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 112.36 -2.2 . . . . 0.0 107.439 176.257 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -82.88 -14.43 54.25 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.216 176.361 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.88 -23.13 24.05 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-O 122.151 0.977 . . . . 0.0 110.33 178.692 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.58 -18.71 23.65 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 112.313 -2.222 . . . . 0.0 105.978 178.187 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.45 -23.97 17.51 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 112.151 -2.295 . . . . 0.0 107.301 177.634 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.23 -40.5 17.99 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 175.85 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -70.74 -30.37 66.87 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 113.543 -1.662 . . . . 0.0 108.341 176.123 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.79 -26.59 49.8 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 174.591 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -84.93 -22.81 29.1 Favored 'General case' 0 CA--C 1.51 -0.575 0 O-C-N 125.024 1.453 . . . . 0.0 108.26 176.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -84.24 -14.41 50.03 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 174.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.29 -25.17 17.88 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 112.764 -2.016 . . . . 0.0 106.734 176.339 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -86.16 -29.49 23.22 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 175.808 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 8.4 tp -79.74 -30.64 40.92 Favored 'General case' 0 C--O 1.208 -1.131 0 CA-C-N 111.992 -2.367 . . . . 0.0 107.941 175.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.73 -20.38 36.1 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 176.856 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.16 -32.49 17.46 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 112.961 -1.927 . . . . 0.0 107.998 176.664 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -86.33 -18.14 32.71 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.857 176.714 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.73 -59.97 4.23 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.676 0.61 . . . . 0.0 112.351 178.486 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -87.95 -42.05 12.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.633 179.337 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.208 0 C-N-CA 124.459 1.104 . . . . 0.0 112.293 179.98 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 38.0 mmt . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 120.26 0.076 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -86.73 0.74 54.11 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.494 0.718 . . . . 0.0 111.472 -179.783 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.33 -16.07 26.51 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.905 1.282 . . . . 0.0 109.654 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -92.26 -47.32 7.27 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 179.245 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.04 -26.21 65.76 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 112.971 -1.922 . . . . 0.0 109.137 176.536 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -89.11 -16.68 30.91 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.999 1.437 . . . . 0.0 110.54 177.743 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.11 -23.26 23.73 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 106.783 -1.562 . . . . 0.0 106.783 177.169 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tp -91.56 -31.06 16.06 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 111.833 -2.439 . . . . 0.0 107.258 177.855 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.17 -21.0 36.74 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 113.425 -1.716 . . . . 0.0 107.711 176.121 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -29.24 18.62 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 176.211 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -81.01 -20.24 42.21 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 125.4 1.687 . . . . 0.0 106.799 176.716 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.87 -35.59 26.11 Favored 'General case' 0 N--CA 1.421 -1.894 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 175.59 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -79.06 -19.52 51.17 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 111.935 -2.393 . . . . 0.0 109.014 177.003 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -91.24 -18.28 24.66 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 174.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -84.86 -33.88 22.75 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 111.242 -2.708 . . . . 0.0 106.757 175.635 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -83.16 -26.92 30.46 Favored 'General case' 0 CA--C 1.491 -1.309 0 CA-C-N 113.556 -1.656 . . . . 0.0 106.812 177.278 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.17 -17.29 37.63 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 112.134 -2.303 . . . . 0.0 107.455 175.549 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 tt -84.57 -39.85 18.26 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 175.025 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.12 -31.66 58.75 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 112.961 -1.927 . . . . 0.0 107.949 176.774 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.0 -19.47 40.41 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 113.314 -1.767 . . . . 0.0 109.233 176.425 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.37 -32.92 19.34 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 104.534 -2.395 . . . . 0.0 104.534 175.731 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 tt -72.7 -45.69 57.51 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 112.727 -2.033 . . . . 0.0 106.08 174.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.07 -14.14 62.53 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 113.724 -1.58 . . . . 0.0 110.687 177.765 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.28 -24.53 39.97 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.605 1.162 . . . . 0.0 109.879 178.696 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 tt -85.95 -42.24 14.21 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 113.701 -1.59 . . . . 0.0 108.608 179.766 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.95 -26.72 60.64 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-N 112.986 -1.915 . . . . 0.0 108.351 177.068 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -84.02 -29.96 26.51 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 113.937 -1.483 . . . . 0.0 107.408 174.862 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.86 -40.03 69.27 Favored 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 174.744 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.12 -45.85 66.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 111.788 -2.46 . . . . 0.0 110.007 177.038 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -41.97 96.17 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.544 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.21 -6.27 56.22 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.758 -179.798 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.32 -42.78 9.13 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.064 0.228 . . . . 0.0 111.161 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 70.15 -51.72 0.64 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.456 1.102 . . . . 0.0 112.752 179.76 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 28.6 p 49.92 107.6 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.587 1.155 . . . . 0.0 113.011 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 tp -128.68 -33.04 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.25 -179.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 78.4 m -91.13 145.08 24.98 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.38 0.425 . . . . 0.0 111.042 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -96.58 -43.29 7.65 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.362 -179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 pp -111.31 128.37 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 O-C-N 123.286 0.366 . . . . 0.0 111.4 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -132.74 152.22 51.8 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -95.59 -42.93 8.17 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.904 179.821 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 49.1 t -116.69 125.96 52.49 Favored 'General case' 0 C--O 1.236 0.386 0 O-C-N 123.501 0.5 . . . . 0.0 110.561 179.814 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 15.3 t -129.76 -40.93 1.35 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.169 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 18.4 m120 71.59 -48.91 0.68 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.396 1.078 . . . . 0.0 112.175 -179.752 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 18.9 ptm -125.8 124.04 40.09 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.191 0.307 . . . . 0.0 110.878 179.65 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.82 105.16 35.46 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.071 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.7 160.02 51.28 Favored 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 122.646 2.23 . . . . 0.0 112.687 179.376 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 18.5 mt -91.14 -13.41 33.04 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.89 -179.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -79.53 113.96 18.08 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.119 0.568 . . . . 0.0 111.131 -179.829 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -135.61 -110.06 0.21 Allowed 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.942 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -98.8 -49.18 4.66 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.446 0.299 . . . . 0.0 111.606 -179.569 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -88.83 -8.15 54.86 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.059 -179.181 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.91 -12.3 15.2 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -179.076 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 tt -97.33 -69.79 0.74 Allowed 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.263 0.625 . . . . 0.0 111.348 -178.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.48 -13.08 37.0 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 114.565 -1.198 . . . . 0.0 112.238 -179.561 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -95.91 -40.4 9.32 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.453 1.101 . . . . 0.0 109.733 179.241 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -76.73 -12.15 59.95 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 121.751 0.786 . . . . 0.0 109.894 177.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.33 -43.81 8.61 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-N 113.392 -1.731 . . . . 0.0 106.728 177.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.19 -18.86 65.61 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 113.212 -1.813 . . . . 0.0 109.912 176.044 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.73 -26.36 17.04 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.354 177.736 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -86.26 -10.94 53.62 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.553 178.724 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -95.04 -29.86 14.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 113.221 -1.809 . . . . 0.0 106.216 178.009 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.4 -29.92 27.76 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 112.507 -2.133 . . . . 0.0 106.91 175.608 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -85.2 -13.92 48.45 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.553 175.856 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 tt -83.91 -37.36 22.46 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 124.92 1.288 . . . . 0.0 109.351 178.68 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -18.8 57.89 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 112.448 -2.16 . . . . 0.0 107.411 176.415 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.64 -19.79 20.14 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 112.564 -2.107 . . . . 0.0 106.72 177.435 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.59 -40.11 16.61 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 112.812 -1.995 . . . . 0.0 105.673 176.126 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -75.79 -27.33 57.96 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 113.035 -1.893 . . . . 0.0 108.502 177.092 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -82.76 -17.2 45.06 Favored 'General case' 0 C--N 1.345 0.411 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 174.261 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -92.22 -24.22 19.1 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 113.47 -1.695 . . . . 0.0 107.734 175.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -89.51 -14.55 34.97 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 113.767 -1.56 . . . . 0.0 107.715 176.731 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.02 -21.93 19.46 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 176.033 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.19 -36.09 23.06 Favored 'General case' 0 N--CA 1.426 -1.648 0 CA-C-N 112.586 -2.097 . . . . 0.0 106.284 176.174 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 12.6 tp -77.82 -27.68 50.1 Favored 'General case' 0 C--O 1.203 -1.353 0 CA-C-N 111.867 -2.424 . . . . 0.0 108.08 176.147 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.32 -19.71 35.7 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 176.507 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -88.83 -33.16 17.48 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 112.591 -2.095 . . . . 0.0 107.984 176.494 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -88.69 -16.75 31.54 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.423 -1.262 . . . . 0.0 110.481 177.263 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mt -57.89 -60.34 3.86 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.23 0.538 . . . . 0.0 112.372 178.756 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -89.95 -42.6 11.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.683 179.251 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.224 0 C-N-CA 124.416 1.086 . . . . 0.0 112.252 -179.859 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 63.3 mtt . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 111.317 0.117 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -83.62 -2.82 56.94 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 123.367 0.667 . . . . 0.0 111.76 -179.585 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.55 -16.19 27.54 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.8 1.24 . . . . 0.0 109.994 -179.503 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -92.89 -35.13 13.51 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.175 -1.375 . . . . 0.0 107.289 179.29 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.31 -25.22 36.63 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 113.01 -1.904 . . . . 0.0 108.348 177.199 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -89.31 -16.82 30.21 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.42 177.809 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -23.95 23.88 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 177.006 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp -90.32 -31.08 17.07 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 111.986 -2.37 . . . . 0.0 107.042 177.663 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.9 -19.35 37.52 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 113.454 -1.703 . . . . 0.0 107.986 176.232 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -22.22 19.2 Favored 'General case' 0 C--N 1.344 0.341 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 176.113 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -86.55 -22.19 26.47 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 113.007 -1.906 . . . . 0.0 106.405 176.011 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.24 -38.63 18.7 Favored 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 113.068 -1.878 . . . . 0.0 106.659 176.567 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -77.41 -16.83 58.62 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 112.62 -2.082 . . . . 0.0 108.37 176.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.9 -31.48 23.67 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 175.088 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -78.07 -33.26 50.92 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 110.75 -2.932 . . . . 0.0 107.918 176.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -82.32 -23.68 34.99 Favored 'General case' 0 CA--C 1.489 -1.375 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 177.217 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.24 -17.61 34.27 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 111.729 -2.487 . . . . 0.0 107.061 174.718 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -91.31 -26.35 18.99 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 176.157 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.89 -32.76 20.03 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 176.192 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -79.77 -14.95 58.35 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 113.047 -1.888 . . . . 0.0 109.355 176.052 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.31 -31.77 13.29 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 105.147 -2.168 . . . . 0.0 105.147 175.92 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 tt -76.78 -45.53 28.55 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 112.959 -1.928 . . . . 0.0 107.964 176.132 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.77 -12.71 60.23 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 114.275 -1.329 . . . . 0.0 111.14 178.772 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -26.41 53.22 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.116 0.967 . . . . 0.0 109.633 178.471 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.72 -46.05 16.14 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 113.073 -1.876 . . . . 0.0 108.295 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.33 -23.78 59.1 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 113.591 -1.641 . . . . 0.0 108.068 175.867 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -79.72 -22.43 43.34 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 174.082 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.43 -42.61 9.66 Favored 'General case' 0 N--CA 1.423 -1.807 0 CA-C-N 113.75 -1.568 . . . . 0.0 109.341 175.8 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.92 -52.93 5.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 113.614 -1.63 . . . . 0.0 113.959 -178.654 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.06 -41.95 18.02 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -176.299 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.11 -39.28 63.46 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -179.19 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 8.3 t-105 -93.72 -38.82 11.1 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.226 0.328 . . . . 0.0 111.551 -179.614 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 23.2 m120 64.74 136.25 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.952 0.901 . . . . 0.0 112.14 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 76.3 m -125.07 156.78 37.69 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.15 -179.787 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.96 116.03 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.955 179.909 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 81.3 m -126.87 -7.88 6.09 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.702 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -91.46 -38.14 12.74 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.536 -179.859 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 mp -94.98 -49.92 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 123.364 0.415 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -100.29 130.02 46.35 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.8 179.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -107.24 152.16 24.48 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 78.8 m -97.92 154.21 17.82 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.949 179.88 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 48.8 m -91.63 -42.29 10.27 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.518 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -106.04 123.16 47.55 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.397 0.435 . . . . 0.0 110.705 179.778 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 64.8 mtt -131.42 127.72 38.04 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.37 -48.96 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.713 0 CA-C-O 118.847 -0.597 . . . . 0.0 111.978 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -77.94 151.82 27.88 Favored 'Trans proline' 0 C--N 1.382 2.297 0 C-N-CA 122.355 2.037 . . . . 0.0 112.804 -179.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 23.8 mt -107.35 -13.09 15.19 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.821 -179.819 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -88.41 96.27 10.53 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.255 -179.351 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 13.4 t -156.95 -52.42 0.08 Allowed 'General case' 0 C--N 1.347 0.457 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.962 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -98.06 -70.88 0.71 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.013 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -92.63 -44.51 8.55 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.631 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.54 -6.43 5.16 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -179.185 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.3 tt -94.19 -64.15 1.11 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.0 1.32 . . . . 0.0 109.036 -179.536 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -60.5 -13.37 13.44 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 114.36 -1.291 . . . . 0.0 111.235 178.413 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -95.55 -38.73 10.29 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.785 1.234 . . . . 0.0 109.139 178.632 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -75.05 -13.64 60.51 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-O 121.954 0.883 . . . . 0.0 109.823 177.201 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 mp -93.24 -44.37 8.36 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-N 113.15 -1.841 . . . . 0.0 106.56 178.245 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.78 -17.91 64.96 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 113.268 -1.787 . . . . 0.0 110.081 176.32 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.6 -27.34 15.96 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 114.476 -1.238 . . . . 0.0 108.519 178.001 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.93 -11.4 50.75 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.924 179.353 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -94.34 -33.05 13.34 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 111.312 -2.676 . . . . 0.0 106.685 178.123 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -27.82 34.24 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 112.621 -2.081 . . . . 0.0 106.868 175.298 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -86.35 -14.5 43.33 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.572 176.319 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.02 -22.65 22.88 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-O 122.123 0.964 . . . . 0.0 110.075 178.463 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.89 -18.63 24.46 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 112.162 -2.29 . . . . 0.0 105.928 178.167 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.68 -24.74 17.03 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 112.203 -2.271 . . . . 0.0 107.34 177.365 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.98 -39.93 17.51 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 175.906 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -70.05 -31.39 68.98 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 113.689 -1.596 . . . . 0.0 108.179 175.869 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -77.48 -26.63 51.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 174.566 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.49 -19.8 30.66 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 125.011 1.444 . . . . 0.0 108.036 176.801 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -86.69 -14.23 43.12 Favored 'General case' 0 C--N 1.345 0.388 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 174.717 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.37 -24.5 18.07 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 112.568 -2.105 . . . . 0.0 106.785 176.258 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -86.03 -29.14 23.68 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 175.573 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.9 tp -80.72 -30.46 36.26 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 111.864 -2.425 . . . . 0.0 107.924 175.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.87 -19.99 36.4 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 176.778 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -86.15 -32.82 21.08 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 112.781 -2.009 . . . . 0.0 107.635 176.129 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -88.19 -16.41 33.38 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.259 -1.337 . . . . 0.0 110.191 176.79 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 55.7 tp -58.36 -59.64 5.03 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.128 178.78 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -89.75 -42.3 11.38 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.737 179.65 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.163 0 C-N-CA 124.458 1.103 . . . . 0.0 112.314 -179.792 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptt? . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 120.996 0.427 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -116.84 -4.3 11.6 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.012 0.525 . . . . 0.0 111.877 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.38 -43.57 9.16 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -177.86 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -96.06 -51.78 4.3 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.507 -178.43 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.98 -32.05 73.03 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 114.017 -1.447 . . . . 0.0 112.15 -178.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -90.43 -12.82 36.3 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.21 0.944 . . . . 0.0 110.175 178.566 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.19 -21.4 23.3 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 175.492 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tt -89.41 -36.39 15.5 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 111.382 -2.645 . . . . 0.0 106.733 177.661 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.04 -20.24 52.8 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 113.189 -1.823 . . . . 0.0 107.983 176.305 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -29.36 18.88 Favored 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 175.933 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -80.1 -21.03 43.75 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 125.536 1.772 . . . . 0.0 106.867 176.766 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.71 -35.16 26.96 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 175.788 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -78.01 -19.98 53.39 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 111.736 -2.484 . . . . 0.0 108.611 176.789 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -91.68 -17.6 25.23 Favored 'General case' 0 CA--C 1.494 -1.174 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 174.703 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -88.89 -22.95 22.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 111.483 -2.598 . . . . 0.0 107.433 175.485 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -90.17 -27.03 19.84 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 176.388 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.25 -17.87 29.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 111.274 -2.694 . . . . 0.0 107.606 175.353 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.95 -23.83 21.45 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 105.817 -1.92 . . . . 0.0 105.817 175.058 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.15 -37.81 25.64 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 112.828 -1.987 . . . . 0.0 107.384 176.27 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.49 -18.7 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 112.383 -2.19 . . . . 0.0 109.06 176.416 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.71 -30.76 18.85 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 104.415 -2.439 . . . . 0.0 104.415 175.687 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 tt -72.98 -42.49 63.25 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 112.819 -1.991 . . . . 0.0 105.977 174.549 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.77 -14.61 61.57 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 113.296 -1.775 . . . . 0.0 110.482 177.44 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.39 -26.83 52.17 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 124.531 1.132 . . . . 0.0 110.212 178.702 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.81 -28.37 33.18 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 125.558 1.543 . . . . 0.0 109.206 179.241 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -84.73 -22.95 29.51 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 111.724 -2.489 . . . . 0.0 106.58 176.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -86.24 -33.28 20.76 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 112.444 -2.162 . . . . 0.0 107.935 174.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.54 -35.12 65.49 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 174.782 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -43.02 75.4 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 112.096 -2.32 . . . . 0.0 109.688 176.365 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -73.7 0.15 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 114.518 -1.219 . . . . 0.0 113.386 -179.697 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.78 -48.2 15.29 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 113.164 -1.835 . . . . 0.0 114.796 -177.268 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 21.9 t-105 -73.55 -13.09 60.97 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -177.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -117.66 134.16 55.18 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.701 0.286 . . . . 0.0 111.061 179.258 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 78.2 m -110.61 161.88 15.28 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 tp -84.24 -21.64 8.29 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.484 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 82.0 m -94.88 155.1 16.92 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 179.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -91.49 125.46 36.24 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.159 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 pp -142.73 159.42 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.387 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -93.78 134.35 36.22 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -99.23 150.12 22.4 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.042 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 49.5 t -98.54 154.79 17.65 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 19.5 m 62.98 160.15 0.08 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.98 0.912 . . . . 0.0 112.297 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -86.41 137.33 32.65 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.259 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 18.8 ptp -97.11 151.85 19.36 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.358 -179.637 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.86 -44.76 0.28 Allowed Pre-proline 0 CA--C 1.544 0.725 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.329 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -71.62 156.01 58.21 Favored 'Trans proline' 0 C--N 1.381 2.281 0 C-N-CA 122.355 2.036 . . . . 0.0 112.77 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 19.0 mt -104.74 -19.31 13.97 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.27 -179.553 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -75.08 101.26 4.47 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.111 0.564 . . . . 0.0 111.719 -179.503 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 49.2 m -141.75 -69.43 0.37 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.914 -179.662 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -98.22 -70.92 0.71 Allowed 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -179.231 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -92.97 -35.33 13.35 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.917 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.34 -5.78 2.71 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -179.136 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.8 mt -90.86 -64.19 1.16 Allowed 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 124.183 0.993 . . . . 0.0 109.383 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -59.5 -13.25 8.24 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 114.513 -1.222 . . . . 0.0 110.73 177.188 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -95.41 -36.3 11.4 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.107 1.363 . . . . 0.0 108.706 178.504 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -74.19 -13.3 60.78 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 122.11 0.957 . . . . 0.0 109.273 176.155 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -93.19 -43.62 8.75 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 112.871 -1.968 . . . . 0.0 106.701 178.156 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.94 -18.51 65.39 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 113.069 -1.878 . . . . 0.0 109.855 176.009 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.99 -25.38 16.53 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.048 -1.433 . . . . 0.0 108.206 177.583 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -86.4 -10.83 53.52 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.159 178.55 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -94.37 -29.81 14.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.266 -1.788 . . . . 0.0 106.733 178.383 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -28.12 24.25 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 112.674 -2.057 . . . . 0.0 107.2 175.806 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -91.45 -13.61 31.97 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.449 -1.25 . . . . 0.0 109.797 176.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 26.5 tp -76.16 -40.11 53.33 Favored 'General case' 0 C--O 1.204 -1.339 0 C-N-CA 125.423 1.489 . . . . 0.0 111.169 178.904 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -16.55 54.9 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 112.208 -2.269 . . . . 0.0 107.898 178.617 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.18 -28.09 14.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 112.876 -1.965 . . . . 0.0 109.154 178.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.65 -38.79 12.87 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.34 -1.3 . . . . 0.0 107.562 178.128 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -71.77 -27.3 62.87 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 114.137 -1.392 . . . . 0.0 108.551 176.235 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -81.18 -19.07 44.14 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 174.012 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -92.72 -25.12 18.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 113.431 -1.713 . . . . 0.0 108.62 177.179 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.08 -15.89 32.86 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 113.963 -1.471 . . . . 0.0 108.165 177.196 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.84 -21.92 19.6 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 105.782 -1.932 . . . . 0.0 105.782 176.242 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.15 -36.49 24.71 Favored 'General case' 0 N--CA 1.428 -1.546 0 CA-C-N 112.87 -1.968 . . . . 0.0 106.368 176.099 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.0 tp -76.73 -29.21 56.09 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 111.928 -2.396 . . . . 0.0 108.014 176.21 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.66 -20.85 35.45 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 106.479 -1.675 . . . . 0.0 106.479 177.272 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -89.09 -33.24 17.18 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 113.105 -1.861 . . . . 0.0 108.059 176.321 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -84.34 -18.29 36.68 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.644 -1.162 . . . . 0.0 109.673 176.69 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -58.27 -60.05 4.36 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.222 178.254 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -92.23 -42.61 9.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.703 179.507 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.189 0 C-N-CA 124.32 1.048 . . . . 0.0 112.142 -179.781 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 120.827 0.346 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -118.4 0.12 11.57 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 122.998 0.519 . . . . 0.0 110.933 179.435 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.89 -42.58 9.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.775 -178.292 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -95.45 -61.11 1.52 Allowed 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.705 -179.328 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -31.44 66.45 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 113.418 -1.719 . . . . 0.0 112.428 -179.519 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -92.46 -11.93 33.41 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 124.151 0.907 . . . . 0.0 110.395 178.561 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.75 -21.69 22.54 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 175.532 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 tt -88.37 -40.75 13.31 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 111.133 -2.758 . . . . 0.0 106.273 177.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.76 -16.64 59.42 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 125.387 1.679 . . . . 0.0 107.92 176.282 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.73 -28.97 22.75 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 104.829 -2.286 . . . . 0.0 104.829 174.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -83.1 -19.84 36.0 Favored 'General case' 0 C--N 1.342 0.239 0 CA-C-N 112.842 -1.981 . . . . 0.0 107.65 177.242 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.33 -21.06 22.21 Favored 'General case' 0 CA--C 1.497 -1.096 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 175.527 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 15.7 t-105 -87.21 -24.2 24.51 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 111.124 -2.762 . . . . 0.0 108.189 176.317 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -92.13 -18.51 23.44 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 175.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.29 -23.26 26.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 111.989 -2.369 . . . . 0.0 106.876 175.525 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -34.33 19.6 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-N 112.626 -2.079 . . . . 0.0 106.327 176.831 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.7 -16.47 44.82 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 111.663 -2.517 . . . . 0.0 107.733 175.643 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.35 -24.79 21.88 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 174.73 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.56 -38.28 23.93 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 112.739 -2.028 . . . . 0.0 107.604 176.544 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -80.34 -18.04 50.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 112.376 -2.193 . . . . 0.0 109.292 176.722 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.44 -30.99 19.02 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 175.363 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.96 -43.65 62.04 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 112.566 -2.106 . . . . 0.0 106.107 174.582 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.85 -12.64 60.74 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 113.503 -1.681 . . . . 0.0 110.765 177.208 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.43 -23.66 34.73 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 124.88 1.272 . . . . 0.0 109.531 178.196 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 32.2 tp -78.9 -46.14 19.09 Favored 'General case' 0 C--O 1.215 -0.758 0 C-N-CA 126.059 1.744 . . . . 0.0 108.425 179.45 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -25.8 59.27 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 111.613 -2.54 . . . . 0.0 107.79 175.744 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.07 -21.49 39.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 113.949 -1.478 . . . . 0.0 107.256 174.766 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.9 -40.86 12.13 Favored 'General case' 0 N--CA 1.42 -1.936 0 CA-C-N 113.806 -1.543 . . . . 0.0 108.539 175.549 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.55 -56.23 4.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 113.089 -1.868 . . . . 0.0 113.313 -179.867 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -83.48 -56.44 3.74 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -177.167 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.15 -4.68 2.54 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 114.521 -1.218 . . . . 0.0 113.653 -178.82 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 23.6 t-105 -59.52 -46.82 87.73 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.758 0.423 . . . . 0.0 111.964 179.778 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -139.15 -57.28 0.6 Allowed 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.292 0.37 . . . . 0.0 111.068 179.676 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 24.9 p -145.37 157.7 43.98 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.292 0.37 . . . . 0.0 111.116 -179.796 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.2 pp -92.44 132.43 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.192 179.661 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 82.8 m -129.15 149.74 50.83 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.261 -179.736 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -106.38 -9.65 16.66 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.326 179.778 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pp -91.36 163.52 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.618 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -89.16 158.23 17.99 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.313 -179.846 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 64.45 125.44 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.996 0.918 . . . . 0.0 111.887 -179.773 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 82.4 m -103.49 155.01 18.83 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.055 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 45.4 p -92.46 -27.54 17.39 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.701 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -91.48 156.09 17.95 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.366 0.416 . . . . 0.0 111.07 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 86.4 mmm -90.15 135.35 33.72 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.29 -179.855 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.57 -44.56 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.704 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.35 -179.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.98 152.42 31.74 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 122.319 2.013 . . . . 0.0 112.734 -179.774 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 28.0 mt -110.76 -13.87 14.1 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.183 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -97.24 -64.17 1.07 Allowed 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.442 0.464 . . . . 0.0 111.245 -179.12 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 50.0 m -151.29 173.03 14.95 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.567 0.347 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.78 -36.6 21.6 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.919 179.73 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -85.38 -9.52 57.46 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.887 178.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.33 -5.89 0.14 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.617 1.167 . . . . 0.0 114.07 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -94.65 -68.77 0.78 Allowed 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 123.955 0.902 . . . . 0.0 109.989 -179.184 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -61.76 -12.29 16.27 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 113.991 -1.459 . . . . 0.0 111.824 178.7 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -95.6 -41.79 8.74 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 124.753 1.221 . . . . 0.0 109.491 179.027 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -75.26 -12.51 60.3 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.899 177.505 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 mp -93.25 -44.53 8.28 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 113.397 -1.728 . . . . 0.0 106.897 178.202 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.88 -18.9 65.65 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 113.246 -1.797 . . . . 0.0 109.932 176.355 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.23 -25.89 17.61 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 114.392 -1.276 . . . . 0.0 108.353 177.777 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -87.37 -12.97 44.75 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.692 178.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -94.9 -32.09 13.38 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 126.414 1.885 . . . . 0.0 106.479 178.254 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -30.43 38.1 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 112.527 -2.124 . . . . 0.0 107.124 175.655 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -85.48 -14.17 46.87 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.866 175.905 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 tt -85.07 -36.45 21.18 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 124.966 1.307 . . . . 0.0 109.462 178.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.27 -18.67 55.01 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 112.57 -2.105 . . . . 0.0 107.301 176.51 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.81 -18.33 21.31 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 112.601 -2.091 . . . . 0.0 106.741 177.247 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.44 -40.79 14.05 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 112.855 -1.975 . . . . 0.0 105.798 176.294 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -76.68 -27.37 55.53 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 113.121 -1.854 . . . . 0.0 108.782 177.444 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -82.86 -16.99 45.47 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 107.013 -1.476 . . . . 0.0 107.013 174.209 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.5 -23.57 19.06 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 113.45 -1.705 . . . . 0.0 107.737 176.235 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -90.11 -15.71 31.09 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 113.845 -1.525 . . . . 0.0 107.794 176.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.99 -21.55 19.7 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 176.281 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.25 -36.24 22.83 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 112.753 -2.022 . . . . 0.0 106.437 176.09 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 12.4 tp -76.63 -29.09 56.32 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-N 111.956 -2.383 . . . . 0.0 108.022 176.177 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.37 -20.04 34.97 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 177.071 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -89.02 -32.96 17.34 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 112.875 -1.966 . . . . 0.0 107.987 176.442 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -86.53 -17.91 32.89 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.134 176.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.59 -60.26 3.94 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.281 178.361 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -91.76 -42.28 10.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.706 179.353 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.13 0 C-N-CA 124.378 1.071 . . . . 0.0 112.257 -179.956 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 120.767 0.317 . . . . 0.0 111.581 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -114.8 -2.62 12.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 122.974 0.51 . . . . 0.0 111.306 179.553 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.28 -41.05 10.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.139 -177.675 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.2 tt -95.7 -60.74 1.59 Allowed 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.956 -179.076 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.58 -31.75 69.74 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 113.565 -1.652 . . . . 0.0 112.545 -179.302 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -93.14 -11.77 32.01 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.236 0.96 . . . . 0.0 110.314 179.3 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -24.59 22.71 Favored 'General case' 0 C--O 1.227 -0.101 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 175.599 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -93.76 -20.94 19.64 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 111.961 -2.381 . . . . 0.0 107.285 177.84 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.29 -19.22 23.2 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 175.888 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.67 -28.9 18.05 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 175.866 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -82.64 -18.33 41.48 Favored 'General case' 0 CA--C 1.51 -0.567 0 O-C-N 125.4 1.687 . . . . 0.0 106.932 176.626 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.53 -32.16 24.04 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 105.655 -1.98 . . . . 0.0 105.655 175.114 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 13.8 t-105 -81.12 -23.39 38.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 110.99 -2.823 . . . . 0.0 109.21 177.061 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.83 -23.96 22.69 Favored 'General case' 0 CA--C 1.494 -1.188 0 N-CA-C 105.854 -1.906 . . . . 0.0 105.854 175.827 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 tp -76.38 -38.82 55.21 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 111.777 -2.465 . . . . 0.0 106.81 175.171 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.39 -35.25 70.97 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 112.828 -1.987 . . . . 0.0 107.522 176.612 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.67 -26.09 54.43 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 111.931 -2.395 . . . . 0.0 107.909 176.012 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.23 -36.16 40.45 Favored 'General case' 0 CA--C 1.499 -1.017 0 O-C-N 125.288 1.618 . . . . 0.0 107.797 176.55 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.85 -30.98 62.96 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 111.714 -2.494 . . . . 0.0 106.697 175.018 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.19 -18.6 42.12 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 112.456 -2.156 . . . . 0.0 109.271 175.702 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.8 -40.45 20.4 Favored 'General case' 0 CA--C 1.491 -1.313 0 N-CA-C 104.081 -2.563 . . . . 0.0 104.081 174.344 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 tt -65.24 -43.89 89.92 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 110.735 -2.939 . . . . 0.0 107.058 174.845 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.71 -12.63 60.23 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 113.871 -1.513 . . . . 0.0 110.876 177.586 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.32 -27.29 47.17 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 124.364 1.065 . . . . 0.0 109.236 178.572 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -77.01 -46.4 23.96 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-N 113.773 -1.558 . . . . 0.0 107.884 179.544 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.5 -20.28 63.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 112.316 -2.22 . . . . 0.0 106.995 174.896 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -82.43 -26.11 33.03 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 113.107 -1.86 . . . . 0.0 107.236 173.756 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.67 -38.6 11.24 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 114.182 -1.372 . . . . 0.0 109.266 175.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 9.5 mp -87.49 -54.69 4.15 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 113.637 -1.62 . . . . 0.0 113.534 -178.841 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -43.68 23.3 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -176.812 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.58 -4.46 40.12 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.909 -179.53 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -65.46 -39.9 92.56 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 122.792 0.437 . . . . 0.0 111.783 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -100.66 99.42 9.98 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.111 0.481 . . . . 0.0 110.305 179.781 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 81.0 m -141.92 163.08 33.85 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.0 pp -84.08 -37.05 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.845 179.724 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 96.3 m -131.68 121.4 24.22 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 123.366 0.416 . . . . 0.0 110.426 179.268 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -132.48 149.87 52.26 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.202 -179.766 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.6 tp -115.0 149.89 17.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.287 179.773 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -95.56 114.52 26.29 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.056 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -139.14 -43.04 0.46 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.984 179.812 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 84.9 m -128.8 150.04 50.48 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.455 0.472 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 15.6 t -100.21 146.48 26.82 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.835 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -99.04 146.81 25.67 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.019 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 64.9 mtt -113.31 134.4 54.63 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.56 158.81 31.09 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.937 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -74.97 152.1 40.49 Favored 'Trans proline' 0 C--N 1.376 1.996 0 C-N-CA 122.406 2.071 . . . . 0.0 112.723 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -121.57 -11.46 8.67 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.6 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -93.82 -53.69 3.91 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.525 0.516 . . . . 0.0 111.239 -179.235 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 70.8 m -146.29 174.9 10.94 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.33 0.394 . . . . 0.0 111.225 -179.684 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -92.96 -35.12 13.47 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.665 179.811 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -77.33 -8.69 58.07 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.824 178.721 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.36 -6.78 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -179.796 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 37.3 tp -93.43 -68.04 0.82 Allowed 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.562 1.145 . . . . 0.0 108.998 -179.86 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.55 -11.54 4.89 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.84 177.441 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -95.03 -40.13 9.81 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 125.26 1.424 . . . . 0.0 109.137 178.716 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -73.16 -13.22 61.13 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 121.994 0.902 . . . . 0.0 109.635 176.707 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 6.3 mp -93.47 -43.7 8.6 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 113.168 -1.833 . . . . 0.0 106.653 177.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.09 -18.02 65.08 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 113.066 -1.879 . . . . 0.0 109.891 176.098 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.77 -24.76 16.95 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 114.292 -1.322 . . . . 0.0 108.169 177.821 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -86.71 -14.4 42.58 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 114.285 -1.325 . . . . 0.0 109.465 178.566 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -95.34 -31.14 13.57 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 126.209 1.804 . . . . 0.0 106.522 178.423 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -30.5 33.85 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 112.727 -2.033 . . . . 0.0 107.187 175.925 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -84.61 -14.05 49.83 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.365 -1.289 . . . . 0.0 109.516 175.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 tt -83.88 -38.55 20.98 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 125.07 1.348 . . . . 0.0 109.344 178.778 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.32 -17.64 56.28 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 112.417 -2.174 . . . . 0.0 107.4 176.815 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.21 -23.13 18.01 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 112.652 -2.067 . . . . 0.0 107.62 177.895 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.43 -40.01 16.9 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 176.106 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -73.3 -27.36 61.49 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 113.213 -1.812 . . . . 0.0 108.664 176.59 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -82.59 -17.56 44.37 Favored 'General case' 0 C--N 1.345 0.412 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 173.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -92.31 -24.23 19.02 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 113.41 -1.723 . . . . 0.0 107.75 176.251 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -89.43 -14.68 34.88 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 113.775 -1.557 . . . . 0.0 107.738 176.592 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.01 -22.18 19.31 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 176.078 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.16 -36.29 22.98 Favored 'General case' 0 N--CA 1.427 -1.622 0 CA-C-N 112.644 -2.071 . . . . 0.0 106.421 176.282 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 tp -78.06 -27.44 48.63 Favored 'General case' 0 C--O 1.205 -1.254 0 CA-C-N 111.965 -2.379 . . . . 0.0 108.174 176.201 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.96 -20.39 35.3 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 176.513 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -89.26 -31.98 17.61 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 112.762 -2.017 . . . . 0.0 107.896 176.502 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -86.89 -18.72 30.19 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 114.387 -1.279 . . . . 0.0 110.082 176.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -57.08 -60.14 4.04 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.546 178.636 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -82.94 -41.61 18.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.497 -1.229 . . . . 0.0 112.144 179.64 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.065 -0.969 . . . . 0.0 111.28 -179.827 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 87.4 mmm . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 111.275 0.102 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -82.68 -1.36 50.99 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.528 0.731 . . . . 0.0 111.633 -179.708 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.01 -17.32 25.25 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.912 1.285 . . . . 0.0 109.694 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -92.7 -37.16 12.54 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.937 -1.483 . . . . 0.0 107.349 179.415 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.75 -24.25 44.88 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 113.11 -1.859 . . . . 0.0 108.373 177.003 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -87.74 -18.13 30.12 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 113.726 -1.579 . . . . 0.0 109.841 176.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.46 -21.04 23.18 Favored 'General case' 0 C--O 1.227 -0.128 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 176.798 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tt -88.56 -35.95 16.63 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 111.638 -2.528 . . . . 0.0 106.598 177.267 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.9 -21.09 51.74 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 113.055 -1.884 . . . . 0.0 108.056 176.183 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -28.62 18.97 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 176.262 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -80.97 -20.2 42.41 Favored 'General case' 0 CA--C 1.51 -0.57 0 O-C-N 125.491 1.744 . . . . 0.0 106.81 176.716 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.95 -34.95 26.35 Favored 'General case' 0 N--CA 1.422 -1.87 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 175.735 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 13.8 t-105 -79.43 -20.1 48.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 111.788 -2.46 . . . . 0.0 108.95 176.816 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.72 -19.05 23.98 Favored 'General case' 0 CA--C 1.495 -1.173 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 175.016 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.18 -33.84 24.11 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 111.221 -2.718 . . . . 0.0 106.858 175.6 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -79.98 -26.92 39.73 Favored 'General case' 0 CA--C 1.489 -1.393 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 176.866 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.55 -16.82 38.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 111.689 -2.505 . . . . 0.0 107.243 175.009 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.4 -26.02 20.1 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 175.171 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.66 -29.7 22.3 Favored 'General case' 0 CA--C 1.5 -0.977 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 176.323 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.46 -19.13 36.41 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 112.62 -2.082 . . . . 0.0 109.099 175.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.25 -31.09 18.05 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 104.45 -2.426 . . . . 0.0 104.45 175.894 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.36 -46.56 48.42 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 112.648 -2.069 . . . . 0.0 105.801 174.451 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.02 -12.68 60.58 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 113.92 -1.491 . . . . 0.0 110.199 177.172 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.89 -29.93 23.28 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 124.587 1.155 . . . . 0.0 109.074 178.089 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -30.92 31.07 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 126.122 1.769 . . . . 0.0 109.432 179.798 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.69 -22.63 37.31 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 112.802 -1.999 . . . . 0.0 106.036 176.076 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -83.62 -35.92 24.27 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 111.979 -2.373 . . . . 0.0 108.067 174.865 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.24 -34.43 65.86 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 175.101 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.57 -46.45 63.48 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 112.183 -2.28 . . . . 0.0 109.467 176.421 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -41.33 99.04 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.957 179.29 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.46 -4.78 58.03 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 114.832 -1.077 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -75.5 -14.11 60.4 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.586 0.354 . . . . 0.0 111.84 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -95.43 -39.11 10.16 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.381 0.426 . . . . 0.0 111.176 179.705 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 25.4 p -97.46 160.05 14.55 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.958 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 tp -88.11 124.99 41.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 -179.803 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 49.6 t -137.56 153.51 49.94 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.746 179.932 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -97.52 131.94 43.66 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.964 179.905 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 pp -105.79 144.97 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.343 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -105.93 -38.53 6.3 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.42 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -94.31 150.24 20.48 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.335 0.397 . . . . 0.0 111.194 -179.71 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 26.2 p -126.7 21.23 7.06 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.405 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 46.7 p -89.14 157.25 18.36 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.487 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 19.1 m120 64.02 123.27 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.889 0.876 . . . . 0.0 111.712 -179.765 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 63.9 mtt -106.61 132.41 52.64 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.345 -179.654 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.88 160.04 61.2 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.452 179.506 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.05 145.9 31.82 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.056 1.837 . . . . 0.0 112.984 -179.827 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 28.6 mt -146.12 -7.37 0.55 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.751 -179.119 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -58.05 -40.53 81.19 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.539 0.736 . . . . 0.0 112.82 -178.245 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 70.8 m -119.53 165.81 13.93 Favored 'General case' 0 C--O 1.235 0.342 0 O-C-N 123.449 0.468 . . . . 0.0 110.998 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.56 -32.67 17.03 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.716 -179.748 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -84.15 -9.7 58.36 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.484 178.833 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.67 -11.33 34.4 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.884 0.874 . . . . 0.0 112.984 -179.893 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.1 tt -96.26 -65.27 0.98 Allowed 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 124.763 1.225 . . . . 0.0 109.778 -179.419 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -56.56 -15.79 4.95 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 114.241 -1.345 . . . . 0.0 112.334 179.458 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -95.18 -37.26 11.12 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.368 1.067 . . . . 0.0 108.501 178.227 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -78.45 -12.21 60.0 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 114.858 -1.064 . . . . 0.0 109.403 176.778 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 tt -93.14 -45.09 8.04 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 126.821 2.048 . . . . 0.0 106.51 178.896 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.24 -17.86 64.98 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 113.428 -1.715 . . . . 0.0 109.997 176.172 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.76 -25.8 17.26 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.5 -1.227 . . . . 0.0 108.398 177.726 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.02 -13.19 48.22 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.366 -1.288 . . . . 0.0 109.513 178.747 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -95.2 -30.86 13.79 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 126.191 1.797 . . . . 0.0 106.57 178.156 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -82.04 -31.84 30.75 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 112.593 -2.094 . . . . 0.0 107.25 176.003 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -83.81 -13.97 52.49 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.762 176.035 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tt -83.24 -39.41 20.94 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 125.044 1.338 . . . . 0.0 109.674 178.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.67 -17.48 57.65 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 112.555 -2.111 . . . . 0.0 107.478 177.034 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.43 -24.21 17.43 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 112.627 -2.079 . . . . 0.0 107.896 178.115 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.88 -39.74 17.89 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 176.321 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -72.56 -28.84 63.07 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 113.334 -1.757 . . . . 0.0 108.575 176.467 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -81.96 -17.43 47.03 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 173.948 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.41 -22.97 19.34 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 113.672 -1.604 . . . . 0.0 107.843 176.361 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -89.73 -15.89 31.51 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 113.854 -1.521 . . . . 0.0 107.711 176.718 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.94 -21.51 19.76 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 176.36 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.2 -35.97 23.12 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 112.84 -1.982 . . . . 0.0 106.356 175.945 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 14.6 tp -75.69 -30.41 59.34 Favored 'General case' 0 C--O 1.206 -1.216 0 CA-C-N 111.858 -2.428 . . . . 0.0 108.001 175.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.07 -20.06 35.66 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.321 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -88.16 -31.01 19.37 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 112.93 -1.941 . . . . 0.0 107.564 176.061 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -86.99 -18.73 29.97 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.264 -1.334 . . . . 0.0 109.845 176.792 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.6 -60.47 3.29 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.088 178.68 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -86.5 -43.06 13.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.844 179.515 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.248 0 C-N-CA 124.34 1.056 . . . . 0.0 112.281 -179.948 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 111.249 0.092 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -83.15 -0.04 47.4 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.308 0.643 . . . . 0.0 111.604 -179.562 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.51 -18.25 23.41 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.941 1.296 . . . . 0.0 109.592 179.679 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tt -90.76 -47.21 7.77 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 113.775 -1.557 . . . . 0.0 106.944 179.573 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.79 -24.01 64.35 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 113.145 -1.843 . . . . 0.0 108.766 176.084 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -84.53 -27.8 27.11 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.996 177.825 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -21.63 34.59 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 178.371 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -93.09 -17.46 23.78 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 112.0 -2.364 . . . . 0.0 106.405 176.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.66 -22.98 20.9 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 113.452 -1.704 . . . . 0.0 107.116 175.49 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -87.3 -33.53 19.19 Favored 'General case' 0 CA--C 1.493 -1.227 0 CA-C-N 113.42 -1.718 . . . . 0.0 106.592 175.907 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -78.18 -21.6 49.9 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 111.03 -2.805 . . . . 0.0 107.834 176.126 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.31 -33.36 23.94 Favored 'General case' 0 N--CA 1.435 -1.197 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 175.527 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 -79.15 -22.37 45.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 111.328 -2.669 . . . . 0.0 108.435 176.705 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.92 -31.31 22.22 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 176.554 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 tt -73.24 -40.21 64.84 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 111.195 -2.73 . . . . 0.0 106.459 176.052 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -34.09 75.54 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 113.192 -1.822 . . . . 0.0 107.262 175.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.36 -17.98 50.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 111.73 -2.486 . . . . 0.0 108.011 175.516 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -90.19 -25.47 20.62 Favored 'General case' 0 C--N 1.349 0.587 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 175.891 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.44 -28.66 23.38 Favored 'General case' 0 CA--C 1.5 -0.968 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 175.962 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.31 -19.48 33.68 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 112.298 -2.228 . . . . 0.0 108.845 175.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.54 -31.38 19.93 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 104.449 -2.426 . . . . 0.0 104.449 175.752 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 tt -73.33 -41.09 63.91 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 112.626 -2.079 . . . . 0.0 106.056 174.819 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.02 -13.56 60.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 113.479 -1.691 . . . . 0.0 110.256 176.859 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -31.46 24.96 Favored 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 124.469 1.107 . . . . 0.0 109.824 178.574 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -80.72 -26.96 37.06 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 126.031 1.732 . . . . 0.0 108.254 179.408 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.32 -33.12 43.46 Favored 'General case' 0 N--CA 1.426 -1.625 0 CA-C-N 110.593 -3.003 . . . . 0.0 106.835 176.626 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -79.02 -35.13 43.2 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 111.624 -2.535 . . . . 0.0 108.59 175.68 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.84 -33.03 63.96 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 175.405 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tt -70.23 -47.46 61.32 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 112.224 -2.262 . . . . 0.0 109.194 176.248 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -39.18 90.39 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.597 179.316 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.64 -15.35 59.25 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.222 179.583 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -93.99 -24.03 17.8 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.195 179.814 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 m120 63.33 117.7 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.946 0.898 . . . . 0.0 111.886 -179.844 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 81.1 m -131.42 146.52 52.3 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.797 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp 43.61 33.05 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 C-N-CA 124.651 1.18 . . . . 0.0 113.887 -179.93 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 74.8 m -120.97 -42.24 2.51 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.173 179.911 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -126.67 151.4 48.13 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.465 0.478 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.7 pp -112.11 -29.64 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.209 -179.843 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -92.88 -13.99 28.24 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.897 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -93.84 -43.56 8.53 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.205 0.316 . . . . 0.0 111.359 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 49.1 t -103.62 124.27 48.5 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 123.36 0.412 . . . . 0.0 110.585 179.937 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 43.1 p -133.69 -44.95 0.81 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.528 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 63.65 129.65 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.858 0.863 . . . . 0.0 111.764 -179.505 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.62 -56.58 2.64 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.672 -179.547 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -155.21 124.26 3.07 Favored Pre-proline 0 N--CA 1.471 0.575 0 CA-C-O 119.297 -0.382 . . . . 0.0 111.332 -179.823 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.76 165.7 31.73 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 122.438 2.092 . . . . 0.0 112.078 178.679 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 17.4 mt -89.73 -13.21 37.31 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.778 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -133.16 -74.36 0.49 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.318 -179.406 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 69.0 m -161.68 173.67 14.37 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.305 0.642 . . . . 0.0 110.333 179.802 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -78.54 -35.1 46.58 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.461 179.228 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.09 -8.6 45.35 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.968 178.743 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.08 -6.75 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -179.277 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 tt -94.5 -64.96 1.02 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.921 0.888 . . . . 0.0 109.023 179.544 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.1 -11.44 48.91 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.245 -1.343 . . . . 0.0 111.344 178.228 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -95.31 -40.94 9.28 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.726 1.21 . . . . 0.0 109.141 179.17 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -75.68 -12.37 60.18 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.442 176.893 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.99 -40.29 10.64 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 113.332 -1.758 . . . . 0.0 107.497 178.315 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.21 -18.43 63.17 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 112.643 -2.071 . . . . 0.0 109.515 176.196 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.46 -24.14 17.43 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 114.177 -1.374 . . . . 0.0 108.046 177.584 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.8 -14.66 41.57 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 114.242 -1.345 . . . . 0.0 109.586 178.477 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -95.24 -30.17 14.13 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 126.118 1.767 . . . . 0.0 106.596 178.392 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -30.24 28.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 112.614 -2.084 . . . . 0.0 107.327 176.03 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -85.26 -13.95 48.22 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.613 176.046 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 8.9 tp -81.35 -38.79 26.11 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.203 1.401 . . . . 0.0 110.423 179.012 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.78 -17.7 50.04 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 110.792 -2.913 . . . . 0.0 107.39 177.825 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.27 -24.46 17.44 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 112.743 -2.026 . . . . 0.0 107.365 177.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.26 -40.6 17.83 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 175.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -71.86 -29.18 64.1 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 113.454 -1.703 . . . . 0.0 108.246 176.376 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -77.88 -27.37 49.68 Favored 'General case' 0 C--N 1.344 0.357 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 174.393 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.33 -20.15 28.76 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 125.1 1.5 . . . . 0.0 108.146 177.149 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -87.24 -13.5 43.64 Favored 'General case' 0 C--N 1.344 0.333 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 174.903 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.02 -24.85 18.2 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 112.682 -2.054 . . . . 0.0 106.491 176.138 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -85.25 -30.71 23.59 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 175.703 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 tp -80.27 -29.23 38.3 Favored 'General case' 0 C--O 1.203 -1.359 0 CA-C-N 111.972 -2.376 . . . . 0.0 108.111 176.124 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.52 -20.35 36.87 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 176.748 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.01 -32.29 17.67 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 112.927 -1.942 . . . . 0.0 107.999 176.529 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -87.95 -16.85 32.69 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.177 176.924 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.12 -59.98 4.45 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.281 0.562 . . . . 0.0 112.515 178.796 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -83.92 -41.88 16.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.13 179.603 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.361 -179.851 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 121.532 0.682 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -127.91 -0.09 5.97 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.719 179.097 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.92 -51.1 5.37 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.41 -177.488 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tt -93.46 -47.15 6.99 Favored 'General case' 0 CA--C 1.508 -0.657 0 C-N-CA 125.39 1.476 . . . . 0.0 108.819 -178.055 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.69 -29.33 64.58 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 114.153 -1.385 . . . . 0.0 110.462 177.934 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -90.09 -15.7 31.16 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 124.678 1.236 . . . . 0.0 110.68 177.27 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -83.86 -33.25 24.88 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 123.634 1.683 . . . . 0.0 106.763 175.94 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -80.61 -32.09 36.48 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 109.406 -3.543 . . . . 0.0 107.954 177.132 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.28 -17.58 42.1 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 176.298 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.3 -28.93 21.97 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 104.948 -2.242 . . . . 0.0 104.948 175.008 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -83.11 -20.32 35.07 Favored 'General case' 0 C--N 1.345 0.4 0 O-C-N 125.703 1.877 . . . . 0.0 107.294 176.818 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -85.05 -29.34 25.01 Favored 'General case' 0 CA--C 1.493 -1.231 0 N-CA-C 104.758 -2.312 . . . . 0.0 104.758 174.931 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -81.92 -20.65 38.29 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 111.568 -2.56 . . . . 0.0 108.832 176.469 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.18 -19.06 24.66 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 174.887 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -83.8 -34.36 24.75 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 111.296 -2.684 . . . . 0.0 106.874 175.5 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -79.97 -27.44 39.71 Favored 'General case' 0 CA--C 1.489 -1.397 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 176.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.79 -16.27 39.34 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 111.633 -2.531 . . . . 0.0 107.316 175.334 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.12 -26.12 20.37 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 106.819 -1.549 . . . . 0.0 106.819 175.097 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.33 -29.9 21.23 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 113.752 -1.567 . . . . 0.0 106.793 176.446 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.68 -19.88 34.52 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 112.635 -2.075 . . . . 0.0 109.115 176.214 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -32.41 19.03 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 104.644 -2.354 . . . . 0.0 104.644 175.714 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 tt -71.9 -41.5 67.89 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 112.674 -2.057 . . . . 0.0 106.145 174.798 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.73 -13.55 60.62 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 113.321 -1.763 . . . . 0.0 110.8 176.963 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.35 -24.27 25.88 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 124.627 1.171 . . . . 0.0 110.431 179.002 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.46 -28.69 21.92 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 125.471 1.508 . . . . 0.0 107.986 179.364 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.61 -37.18 31.63 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 110.44 -3.073 . . . . 0.0 107.828 177.909 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -80.75 -25.23 38.13 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 113.003 -1.908 . . . . 0.0 108.058 174.927 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.01 -35.28 72.0 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 105.142 -2.17 . . . . 0.0 105.142 174.174 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.35 -48.42 17.38 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 110.868 -2.878 . . . . 0.0 111.93 177.202 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.03 -53.87 4.19 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -176.514 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.86 -10.74 51.44 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -177.15 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -93.48 -65.89 0.96 Allowed 'General case' 0 CA--C 1.536 0.415 0 O-C-N 122.861 0.1 . . . . 0.0 111.002 179.408 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -152.13 -91.27 0.05 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 122.329 0.251 . . . . 0.0 110.83 179.361 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 25.1 p -162.07 -51.39 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 122.682 0.393 . . . . 0.0 111.098 179.739 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 mp 55.59 75.21 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.801 0.84 . . . . 0.0 110.955 -179.476 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 48.8 t -143.77 -41.17 0.28 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.168 -179.91 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -93.68 -38.25 11.42 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.389 0.431 . . . . 0.0 111.777 -179.599 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 pp -91.54 115.27 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 O-C-N 123.388 0.43 . . . . 0.0 111.539 -179.836 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -131.37 149.54 52.51 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.778 179.871 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -127.21 127.1 43.92 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 48.5 m -128.72 119.62 24.95 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.701 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 47.2 p -137.36 -47.84 0.58 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.506 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -136.66 -25.15 1.14 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.631 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 19.8 mmt 64.84 17.29 10.93 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.737 0.815 . . . . 0.0 112.263 -179.541 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.89 -41.02 0.37 Allowed Pre-proline 0 CA--C 1.545 0.77 0 CA-C-O 118.715 -0.66 . . . . 0.0 112.694 -179.9 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.53 162.24 18.44 Favored 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 122.309 2.006 . . . . 0.0 113.482 -179.7 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 5.7 mp -82.13 -9.44 59.52 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.282 -179.606 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -91.94 16.08 11.8 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.727 -179.048 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 44.5 m -89.46 -170.8 2.98 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.859 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -96.79 -41.09 8.63 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.817 -179.447 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -79.81 -8.89 59.54 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.809 178.865 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.75 -6.66 42.55 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.17 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.7 tt -95.78 -69.69 0.74 Allowed 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 123.991 0.916 . . . . 0.0 111.122 -177.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.21 -12.95 14.83 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.257 -179.572 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -96.41 -42.73 7.97 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.405 1.082 . . . . 0.0 109.564 179.26 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -77.05 -12.06 59.89 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 124.055 0.847 . . . . 0.0 110.485 178.391 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -92.63 -44.32 8.64 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-N 113.695 -1.593 . . . . 0.0 106.999 178.093 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.39 -17.05 64.14 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 113.088 -1.869 . . . . 0.0 110.112 176.491 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -95.22 -25.96 16.16 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.621 -1.172 . . . . 0.0 107.969 177.258 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 53.4 tp -74.9 -41.24 60.12 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.225 1.41 . . . . 0.0 110.483 178.886 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -73.25 -32.68 64.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 112.607 -2.088 . . . . 0.0 108.261 177.51 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -75.74 -30.68 59.3 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 113.352 -1.749 . . . . 0.0 106.341 175.285 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -85.41 -14.64 45.63 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 113.56 -1.655 . . . . 0.0 110.196 175.684 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -90.05 -16.91 28.77 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 124.133 0.973 . . . . 0.0 110.138 179.018 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.6 -20.99 18.52 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 178.573 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.95 -20.92 18.98 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 111.838 -2.437 . . . . 0.0 107.374 178.256 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.62 -37.2 14.81 Favored 'General case' 0 C--N 1.346 0.42 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 176.437 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -75.03 -31.89 61.44 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 113.394 -1.73 . . . . 0.0 108.406 176.835 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -77.16 -25.68 52.19 Favored 'General case' 0 C--N 1.344 0.339 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 174.672 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -85.69 -21.72 28.19 Favored 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 125.088 1.493 . . . . 0.0 108.369 177.116 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -85.78 -14.0 46.49 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 175.066 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.24 -25.02 17.97 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 112.618 -2.083 . . . . 0.0 106.605 176.339 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -85.37 -30.64 23.47 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 175.792 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 13.5 tp -79.11 -30.49 43.78 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-N 112.065 -2.334 . . . . 0.0 108.195 176.031 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.7 -20.16 36.64 Favored 'General case' 0 CA--C 1.508 -0.641 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 176.893 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -89.04 -32.71 17.45 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 112.825 -1.989 . . . . 0.0 108.002 176.614 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -86.87 -17.02 34.32 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.082 176.804 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mt -58.51 -59.98 4.51 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.423 178.665 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -84.41 -41.94 16.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.651 -1.159 . . . . 0.0 112.16 179.757 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.066 -0.969 . . . . 0.0 111.315 -179.788 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.688 0.28 . . . . 0.0 111.519 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -112.57 -3.72 14.3 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.028 0.531 . . . . 0.0 111.311 179.743 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.28 -40.5 10.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.165 -177.59 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 tt -95.48 -62.55 1.28 Allowed 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.127 -178.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -31.67 67.78 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 113.515 -1.675 . . . . 0.0 112.338 -179.619 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -91.7 -11.87 35.65 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 124.083 0.864 . . . . 0.0 110.292 178.598 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.91 -21.24 23.71 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 175.287 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tt -89.55 -36.82 15.12 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 111.277 -2.692 . . . . 0.0 106.552 177.791 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.96 -18.86 53.04 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 113.17 -1.832 . . . . 0.0 107.751 176.197 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -28.61 18.9 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 175.883 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -81.94 -18.2 44.4 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 125.56 1.788 . . . . 0.0 107.162 176.772 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.41 -31.34 22.95 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 175.42 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 11.0 t-105 -82.17 -22.54 35.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 110.938 -2.846 . . . . 0.0 109.297 176.724 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.89 -19.34 22.59 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 175.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 tt -80.31 -39.24 29.1 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 111.567 -2.56 . . . . 0.0 105.624 175.09 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -34.62 68.54 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 112.641 -2.072 . . . . 0.0 107.998 176.184 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.52 -18.67 44.23 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 112.226 -2.261 . . . . 0.0 108.395 175.816 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 tp -82.25 -38.46 24.42 Favored 'General case' 0 CA--C 1.493 -1.231 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 175.859 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.02 -44.32 63.6 Favored 'General case' 0 C--O 1.204 -1.322 0 CA-C-N 111.64 -2.527 . . . . 0.0 106.0 174.661 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -68.66 -11.29 59.95 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 113.881 -1.509 . . . . 0.0 108.783 176.58 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.15 -34.89 10.97 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 174.544 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 mp -91.43 -55.06 3.65 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 113.463 -1.698 . . . . 0.0 111.893 179.057 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.25 -12.83 57.82 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -176.608 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.22 -23.89 17.7 Favored 'General case' 0 C--O 1.21 -1.001 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.288 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.46 -38.51 74.46 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 126.289 1.835 . . . . 0.0 108.287 177.583 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.97 -25.41 59.92 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 112.437 -2.165 . . . . 0.0 107.252 176.166 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -83.86 -33.57 24.8 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 112.5 -2.136 . . . . 0.0 108.268 175.71 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.14 -33.08 61.5 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 175.369 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -71.28 -45.11 63.87 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 112.325 -2.216 . . . . 0.0 109.376 176.462 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -41.44 81.35 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 114.669 -1.151 . . . . 0.0 113.476 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.08 -52.39 5.72 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -177.734 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 60.2 m95 -78.14 -40.09 39.06 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -177.856 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -90.57 -50.56 5.86 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.04 0.213 . . . . 0.0 111.446 -179.554 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 46.2 t 65.97 -63.34 0.23 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.324 1.05 . . . . 0.0 112.307 -179.96 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.7 pp -146.54 -35.02 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 45.4 t -109.98 151.23 27.4 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.268 0.355 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -107.99 132.66 53.29 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.567 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 pp -140.73 135.51 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.237 179.775 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -104.22 118.46 36.7 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -138.79 -43.44 0.48 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.015 179.863 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 82.1 m -102.64 160.97 14.1 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.433 0.458 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 52.6 m -87.07 127.78 35.11 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -110.35 161.19 15.88 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.748 -179.789 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 4.8 mmt -84.95 -2.38 57.82 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.827 179.895 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.19 150.6 43.52 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.859 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -54.98 159.76 9.0 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 123.016 2.477 . . . . 0.0 113.748 -179.879 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 53.8 mt -126.34 -9.2 6.37 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.199 -179.395 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -58.55 -39.89 81.5 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.247 0.619 . . . . 0.0 112.641 -179.201 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 62.1 m -133.08 167.96 19.37 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 123.412 0.445 . . . . 0.0 111.182 179.858 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -87.68 -35.2 18.11 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -78.09 -8.69 58.55 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.644 178.594 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.64 -8.0 0.08 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -179.456 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 tt -94.62 -61.24 1.54 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.441 1.097 . . . . 0.0 108.77 179.544 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.03 -12.71 28.15 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 114.267 -1.333 . . . . 0.0 110.502 177.645 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -95.15 -35.94 11.68 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.134 1.374 . . . . 0.0 108.711 178.581 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -74.89 -14.28 60.64 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-O 122.121 0.963 . . . . 0.0 109.206 176.513 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -93.44 -43.17 8.88 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 112.869 -1.969 . . . . 0.0 106.464 177.827 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.02 -19.1 65.83 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 113.037 -1.892 . . . . 0.0 109.689 176.091 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.34 -26.0 16.75 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 114.224 -1.353 . . . . 0.0 108.31 177.952 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -86.86 -10.66 52.89 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.536 178.741 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -94.91 -30.43 14.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 112.942 -1.935 . . . . 0.0 105.916 178.254 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -31.67 27.38 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 112.35 -2.204 . . . . 0.0 106.979 175.899 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -81.5 -13.81 57.7 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.272 -1.331 . . . . 0.0 109.129 175.753 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 13.7 tp -82.87 -32.42 27.42 Favored 'General case' 0 C--N 1.346 0.414 0 C-N-CA 125.166 1.387 . . . . 0.0 110.484 178.565 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.27 -18.43 39.12 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 127.241 2.217 . . . . 0.0 106.689 177.484 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.46 -19.4 20.6 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 112.294 -2.23 . . . . 0.0 106.4 177.046 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.48 -39.28 15.32 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 112.711 -2.04 . . . . 0.0 105.621 175.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -75.77 -27.41 58.04 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 113.106 -1.861 . . . . 0.0 108.473 176.762 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -82.15 -17.2 47.19 Favored 'General case' 0 C--N 1.347 0.472 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.023 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -91.44 -24.49 19.69 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 113.471 -1.695 . . . . 0.0 107.627 176.051 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -89.15 -15.53 33.59 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 113.573 -1.649 . . . . 0.0 107.722 176.625 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.95 -21.62 19.69 Favored 'General case' 0 CA--C 1.509 -0.635 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 176.208 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.83 -35.78 23.98 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 112.697 -2.047 . . . . 0.0 106.232 175.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 tp -76.97 -29.05 55.36 Favored 'General case' 0 C--O 1.207 -1.18 0 CA-C-N 111.849 -2.432 . . . . 0.0 107.974 175.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.58 -20.39 36.6 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 176.9 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -89.11 -32.43 17.52 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 112.855 -1.975 . . . . 0.0 107.834 176.339 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -84.76 -20.0 31.76 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.723 176.856 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.89 -59.94 4.31 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.13 178.266 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -90.25 -42.33 11.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.623 179.452 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.214 0 C-N-CA 124.348 1.059 . . . . 0.0 112.213 -179.932 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 111.272 0.101 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -89.12 -2.04 58.36 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 123.272 0.629 . . . . 0.0 111.487 -179.882 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.49 -15.83 28.19 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.975 1.31 . . . . 0.0 110.104 -179.355 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -92.57 -34.58 13.97 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.168 -1.378 . . . . 0.0 107.33 179.176 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.57 -24.04 34.16 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 113.015 -1.902 . . . . 0.0 108.302 177.115 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -89.07 -17.29 29.6 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.874 177.65 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -24.72 22.61 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 176.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.44 -19.1 21.59 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 112.302 -2.226 . . . . 0.0 107.226 177.252 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.05 -21.3 21.31 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 175.913 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.59 -29.76 17.62 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 113.067 -1.878 . . . . 0.0 106.122 176.169 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -81.93 -19.11 41.42 Favored 'General case' 0 CA--C 1.509 -0.609 0 O-C-N 125.33 1.644 . . . . 0.0 106.825 176.649 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.5 -34.94 27.79 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 105.397 -2.075 . . . . 0.0 105.397 175.041 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 12.8 t-105 -79.25 -19.93 49.43 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 111.767 -2.47 . . . . 0.0 108.905 176.916 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.64 -19.04 24.1 Favored 'General case' 0 CA--C 1.495 -1.159 0 N-CA-C 105.468 -2.049 . . . . 0.0 105.468 174.84 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.59 -33.2 23.42 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 111.317 -2.674 . . . . 0.0 106.943 175.643 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -80.88 -27.1 36.44 Favored 'General case' 0 CA--C 1.487 -1.463 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 176.772 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.39 -17.52 39.08 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 111.72 -2.491 . . . . 0.0 107.027 174.891 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.01 -27.89 19.45 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 175.174 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.32 -29.04 28.62 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 176.185 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.6 -19.5 35.4 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 112.29 -2.232 . . . . 0.0 109.078 175.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -31.64 19.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 104.352 -2.462 . . . . 0.0 104.352 175.765 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.24 -44.62 62.61 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 112.739 -2.028 . . . . 0.0 106.373 174.406 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.85 -13.58 62.09 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 112.529 -2.123 . . . . 0.0 110.686 177.036 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.21 -27.89 32.3 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 124.514 1.126 . . . . 0.0 109.138 178.425 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 tt -78.73 -41.26 31.32 Favored 'General case' 0 CA--C 1.516 -0.327 0 C-N-CA 126.494 1.918 . . . . 0.0 108.377 179.75 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -74.32 -22.25 59.34 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 112.549 -2.114 . . . . 0.0 107.011 175.653 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -83.28 -35.5 25.24 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 112.831 -1.986 . . . . 0.0 107.911 174.477 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.39 -35.6 71.11 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 174.928 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mp -70.51 -47.95 57.96 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 112.106 -2.316 . . . . 0.0 109.878 176.437 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -38.77 78.32 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 113.935 -1.484 . . . . 0.0 111.442 179.283 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.42 -6.2 50.64 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 114.469 -1.241 . . . . 0.0 112.194 179.353 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -91.88 -47.84 7.1 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 179.665 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 62.06 153.06 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.112 0.965 . . . . 0.0 112.346 179.568 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 81.6 m -92.68 -39.26 11.38 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.243 179.868 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 tp -98.23 146.79 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 O-C-N 123.5 0.5 . . . . 0.0 110.452 179.777 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 81.3 m -98.37 122.6 41.75 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 123.602 0.564 . . . . 0.0 111.077 -179.874 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -134.85 -46.14 0.73 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.021 179.844 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.6 tp -141.52 147.66 21.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.6 179.904 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 63.37 129.87 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.942 0.897 . . . . 0.0 112.107 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -130.45 -33.64 1.65 Allowed 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.595 -179.796 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 82.3 m -88.92 -0.47 57.42 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.632 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 43.9 m -90.74 -27.92 18.62 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.7 -179.927 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -93.46 157.08 16.39 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 123.356 0.41 . . . . 0.0 111.337 -180.0 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 64.6 mtt 63.17 114.64 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.983 0.913 . . . . 0.0 112.192 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.48 -51.05 0.02 OUTLIER Pre-proline 0 CA--C 1.544 0.73 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.673 179.476 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.76 164.5 23.05 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 122.452 2.101 . . . . 0.0 112.585 179.713 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 18.2 mt -92.3 -11.13 36.0 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.839 179.839 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -121.97 118.12 28.05 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.531 -179.263 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 64.8 m -129.85 -22.32 2.94 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.451 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -98.05 -39.66 8.81 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.722 179.852 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -92.0 -8.55 45.76 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.472 -179.802 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.25 -15.75 14.41 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.9 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.5 mt -97.05 -69.9 0.74 Allowed 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.335 0.654 . . . . 0.0 111.847 -178.698 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -61.41 -12.73 15.59 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.16 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -95.98 -41.9 8.54 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.301 1.04 . . . . 0.0 109.674 178.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -75.89 -12.69 60.2 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.931 177.752 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.53 -45.71 7.63 Favored 'General case' 0 CA--C 1.497 -1.067 0 C-N-CA 125.956 1.703 . . . . 0.0 106.861 178.399 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.29 -16.71 63.85 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 113.619 -1.628 . . . . 0.0 110.097 176.495 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.82 -27.05 15.95 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.554 177.604 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -88.33 -12.99 41.86 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.908 179.315 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -94.95 -32.23 13.28 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 126.205 1.802 . . . . 0.0 106.708 178.507 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -30.39 36.16 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 112.658 -2.064 . . . . 0.0 107.277 175.859 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -88.29 -14.47 38.24 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.906 176.675 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.04 -29.07 22.21 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 124.43 1.092 . . . . 0.0 110.98 179.641 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -18.69 31.06 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 112.959 -1.928 . . . . 0.0 106.553 177.795 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.59 -21.52 18.19 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 112.656 -2.066 . . . . 0.0 108.118 177.941 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.79 -42.52 10.06 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 177.003 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -72.73 -27.41 62.03 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.044 -1.435 . . . . 0.0 109.637 176.81 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -79.99 -18.99 48.85 Favored 'General case' 0 C--N 1.345 0.378 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 174.036 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -93.24 -25.93 17.58 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 113.457 -1.701 . . . . 0.0 108.855 177.016 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -88.42 -16.36 33.06 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 114.341 -1.299 . . . . 0.0 108.576 177.744 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.94 -21.22 19.93 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 176.048 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.03 -37.16 22.49 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-N 112.913 -1.949 . . . . 0.0 106.645 176.212 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 6.8 tp -78.24 -28.11 47.77 Favored 'General case' 0 C--O 1.204 -1.306 0 CA-C-N 111.963 -2.381 . . . . 0.0 108.32 176.586 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.45 -20.44 34.06 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 177.314 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.1 -31.66 17.91 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 112.97 -1.923 . . . . 0.0 107.938 176.218 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -87.01 -19.44 28.68 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.222 177.007 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mt -59.45 -60.61 3.58 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.453 178.731 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -43.06 9.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.851 179.462 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.18 0 C-N-CA 124.379 1.071 . . . . 0.0 112.204 -179.913 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.305 0 CA-C-O 121.133 0.492 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 tt -95.63 -61.15 1.51 Allowed 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.03 -1.441 . . . . 0.0 109.555 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -31.14 66.77 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 113.455 -1.702 . . . . 0.0 112.489 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -92.4 -12.35 32.45 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 124.224 0.953 . . . . 0.0 110.342 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.88 -21.77 22.36 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 175.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tt -90.41 -35.72 15.0 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 111.376 -2.647 . . . . 0.0 106.926 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.5 -20.33 51.04 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 113.337 -1.756 . . . . 0.0 107.814 176.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.38 -29.14 19.3 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 176.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -81.03 -20.15 42.3 Favored 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 125.522 1.764 . . . . 0.0 106.997 176.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.89 -34.72 26.62 Favored 'General case' 0 N--CA 1.421 -1.888 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 175.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -79.16 -19.27 51.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 111.724 -2.489 . . . . 0.0 108.764 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.65 -19.04 24.09 Favored 'General case' 0 CA--C 1.495 -1.144 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.08 -32.38 22.86 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 111.177 -2.738 . . . . 0.0 106.984 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -82.69 -26.23 32.24 Favored 'General case' 0 CA--C 1.49 -1.36 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.36 -16.25 40.51 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 111.773 -2.467 . . . . 0.0 107.003 174.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.06 -26.77 21.22 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.42 -30.14 22.32 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 113.579 -1.646 . . . . 0.0 106.618 176.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.2 -18.66 38.51 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 112.573 -2.103 . . . . 0.0 108.856 175.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.48 -31.14 20.14 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 104.402 -2.444 . . . . 0.0 104.402 175.397 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tt -73.79 -42.41 61.03 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 112.563 -2.108 . . . . 0.0 106.149 174.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.12 -13.2 60.79 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 113.409 -1.723 . . . . 0.0 110.484 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.87 -27.07 44.02 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.607 1.163 . . . . 0.0 109.373 178.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 tt -76.56 -45.89 28.58 Favored 'General case' 0 C--O 1.212 -0.888 0 C-N-CA 126.039 1.736 . . . . 0.0 106.952 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.93 -21.35 62.37 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 112.992 -1.913 . . . . 0.0 107.351 174.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -78.27 -25.6 46.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 113.651 -1.613 . . . . 0.0 106.647 173.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.58 -36.31 12.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 113.916 -1.493 . . . . 0.0 108.954 175.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 113.778 -1.555 . . . . 0.0 113.936 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 . . . . . 0 N--CA 1.469 0.524 0 CA-C-O 121.051 0.453 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.1 -24.28 11.63 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.825 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.35 -70.01 0.74 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.735 0.814 . . . . 0.0 111.832 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -61.47 -15.46 37.85 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 113.683 -1.599 . . . . 0.0 112.235 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -95.45 -38.13 10.6 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 124.392 1.077 . . . . 0.0 109.925 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -74.52 -12.78 60.56 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 122.013 0.911 . . . . 0.0 109.534 176.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.79 -43.34 8.66 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-N 113.032 -1.895 . . . . 0.0 106.666 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.15 -15.95 63.53 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 113.038 -1.892 . . . . 0.0 110.273 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.35 -26.78 15.76 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.665 1.186 . . . . 0.0 107.919 177.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.5 -45.1 32.36 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 113.791 -1.549 . . . . 0.0 109.198 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.56 -30.9 69.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 113.26 -1.791 . . . . 0.0 108.005 176.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -76.56 -28.53 56.31 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -76.5 -28.65 56.52 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 113.526 -1.67 . . . . 0.0 108.995 175.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mp -69.56 -49.57 53.05 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-O 123.166 1.46 . . . . 0.0 108.864 176.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.89 -25.95 0.88 Allowed 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 113.499 -1.682 . . . . 0.0 108.504 176.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.69 -37.76 8.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 112.154 -2.294 . . . . 0.0 112.241 176.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.68 -47.07 11.6 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 124.138 0.975 . . . . 0.0 109.74 -177.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -67.08 -31.23 71.58 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.071 176.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -81.26 -15.93 54.12 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 174.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.12 -23.73 19.34 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 114.254 -1.339 . . . . 0.0 107.524 175.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -88.91 -16.64 31.37 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 113.651 -1.613 . . . . 0.0 107.806 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.16 -22.06 19.29 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 176.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.6 -36.12 24.16 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-N 113.021 -1.899 . . . . 0.0 106.409 176.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 11.6 tp -76.42 -29.8 57.18 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 111.849 -2.432 . . . . 0.0 108.171 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.14 -19.95 35.69 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 177.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -87.99 -31.63 19.25 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 112.939 -1.937 . . . . 0.0 107.359 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -85.66 -16.52 38.85 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.43 -1.259 . . . . 0.0 109.649 176.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.92 -60.05 3.99 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.137 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -83.65 -44.4 14.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.617 -1.174 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.284 -179.763 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -96.37 -51.67 4.28 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.37 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -31.65 72.74 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 113.84 -1.527 . . . . 0.0 112.206 -178.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -93.0 -11.33 33.42 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.323 1.014 . . . . 0.0 110.071 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.11 -24.55 22.22 Favored 'General case' 0 C--O 1.227 -0.081 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 175.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -93.75 -20.17 20.37 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 112.037 -2.347 . . . . 0.0 107.157 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.07 -19.92 22.63 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 106.576 -1.638 . . . . 0.0 106.576 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.75 -29.49 18.67 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 113.061 -1.881 . . . . 0.0 106.008 175.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -81.81 -19.56 40.91 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 125.534 1.771 . . . . 0.0 106.798 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.66 -34.09 27.57 Favored 'General case' 0 N--CA 1.422 -1.847 0 N-CA-C 105.17 -2.159 . . . . 0.0 105.17 175.154 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -79.38 -18.93 51.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 111.601 -2.545 . . . . 0.0 108.729 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.05 -19.48 24.32 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.94 -31.82 23.4 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 111.09 -2.777 . . . . 0.0 107.016 175.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -82.89 -25.89 32.05 Favored 'General case' 0 CA--C 1.489 -1.389 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 176.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.73 -17.16 39.22 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 111.827 -2.442 . . . . 0.0 106.907 174.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -88.4 -27.42 21.59 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 174.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.65 -31.1 24.36 Favored 'General case' 0 CA--C 1.498 -1.039 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 176.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.55 -17.32 48.83 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 112.508 -2.133 . . . . 0.0 108.97 175.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.23 -29.42 20.46 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 104.465 -2.42 . . . . 0.0 104.465 175.069 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 tt -78.11 -40.55 37.95 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 112.416 -2.175 . . . . 0.0 106.715 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.52 -12.46 59.96 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 113.262 -1.79 . . . . 0.0 110.224 177.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -30.3 69.21 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 124.534 1.134 . . . . 0.0 109.342 178.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mp -71.96 -52.18 18.41 Favored 'General case' 0 C--O 1.2 -1.551 0 CA-C-N 113.746 -1.57 . . . . 0.0 107.762 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.96 -18.9 65.66 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 113.136 -1.847 . . . . 0.0 108.02 175.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -84.26 -26.89 28.29 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 113.11 -1.859 . . . . 0.0 107.301 173.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.82 -38.59 10.68 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.151 -1.386 . . . . 0.0 109.19 175.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.235 0.297 0 CA-C-N 113.645 -1.616 . . . . 0.0 113.239 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.13 -6.99 7.5 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 10.1 mt -95.11 -68.52 0.8 Allowed 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 124.263 1.025 . . . . 0.0 110.394 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -56.77 -14.86 3.73 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.915 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -95.66 -40.16 9.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 124.618 1.167 . . . . 0.0 109.294 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -75.82 -12.53 60.19 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 122.03 0.919 . . . . 0.0 109.709 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.29 -43.98 8.54 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 113.084 -1.871 . . . . 0.0 106.922 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.99 -16.33 64.0 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 113.298 -1.774 . . . . 0.0 109.967 176.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.09 -25.82 16.29 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 177.196 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 61.6 tp -77.56 -40.04 43.76 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 113.812 -1.54 . . . . 0.0 110.091 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -73.05 -31.24 64.29 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 111.851 -2.431 . . . . 0.0 108.047 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -78.92 -31.64 45.32 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 113.208 -1.815 . . . . 0.0 106.508 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -82.0 -14.72 55.58 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 113.764 -1.562 . . . . 0.0 109.606 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 tp -82.86 -33.69 26.99 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 124.877 1.271 . . . . 0.0 110.708 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -18.52 40.02 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 112.374 -2.194 . . . . 0.0 106.731 177.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.6 -20.34 19.68 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 112.36 -2.2 . . . . 0.0 106.555 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.98 -40.82 15.44 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 112.923 -1.944 . . . . 0.0 105.987 175.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -74.84 -29.49 61.06 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 113.384 -1.734 . . . . 0.0 108.235 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -78.29 -26.17 46.93 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 174.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.95 -20.14 29.39 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 125.132 1.52 . . . . 0.0 107.944 176.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -87.27 -13.97 42.26 Favored 'General case' 0 C--N 1.343 0.323 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.16 -25.05 18.02 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 112.619 -2.082 . . . . 0.0 106.74 176.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -85.57 -29.42 24.15 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.1 tp -80.77 -29.85 36.13 Favored 'General case' 0 C--O 1.206 -1.221 0 CA-C-N 111.875 -2.42 . . . . 0.0 107.903 176.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.3 -20.28 37.77 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -89.08 -31.4 18.05 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 112.887 -1.961 . . . . 0.0 107.985 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -87.61 -19.13 28.2 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.972 176.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mt -56.88 -60.23 3.88 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.428 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -88.87 -42.37 11.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.539 -1.21 . . . . 0.0 111.607 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.236 0 C-N-CA 124.302 1.041 . . . . 0.0 112.334 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.284 0 CA-C-O 121.049 0.452 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 tt -95.48 -57.45 2.39 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 125.175 1.39 . . . . 0.0 109.541 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -31.89 66.61 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 113.508 -1.678 . . . . 0.0 112.282 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -93.04 -11.56 32.76 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 124.282 0.989 . . . . 0.0 109.987 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.97 -23.56 21.5 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 175.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -93.65 -21.07 19.61 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 111.824 -2.443 . . . . 0.0 107.145 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.09 -18.68 24.14 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 175.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -28.75 17.32 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 175.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -82.53 -17.67 44.18 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 125.526 1.766 . . . . 0.0 106.988 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.75 -31.35 26.03 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 174.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -82.47 -23.03 34.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 110.629 -2.987 . . . . 0.0 109.201 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -90.45 -20.31 22.9 Favored 'General case' 0 CA--C 1.494 -1.184 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 175.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 tp -79.4 -37.3 37.55 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 111.631 -2.531 . . . . 0.0 106.578 175.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -34.05 66.18 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 112.681 -2.054 . . . . 0.0 106.996 176.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.79 -15.7 53.37 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 111.709 -2.496 . . . . 0.0 107.718 175.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -88.67 -25.92 22.12 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 174.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.26 -30.07 22.62 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 113.471 -1.695 . . . . 0.0 106.66 176.167 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.41 -18.46 35.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 112.375 -2.193 . . . . 0.0 108.811 176.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.49 -30.97 20.23 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 104.408 -2.442 . . . . 0.0 104.408 175.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 tt -73.33 -41.79 63.07 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 112.589 -2.096 . . . . 0.0 106.065 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.65 -13.58 60.65 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 113.377 -1.738 . . . . 0.0 110.439 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.96 -27.33 43.49 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.437 1.095 . . . . 0.0 109.57 178.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.74 -35.23 60.27 Favored 'General case' 0 CA--C 1.498 -1.024 0 C-N-CA 125.756 1.623 . . . . 0.0 108.62 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -82.59 -20.23 36.86 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 111.645 -2.525 . . . . 0.0 106.56 175.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -81.69 -24.41 36.24 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 113.163 -1.835 . . . . 0.0 106.763 173.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.17 -35.82 12.95 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.034 -1.439 . . . . 0.0 108.516 175.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 113.584 -1.643 . . . . 0.0 113.588 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.82 -19.16 13.51 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tt -96.7 -69.4 0.76 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.926 0.89 . . . . 0.0 110.894 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -60.29 -14.38 17.83 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 114.727 -1.124 . . . . 0.0 112.162 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -95.49 -39.01 10.19 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.387 1.075 . . . . 0.0 109.558 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -75.35 -12.69 60.32 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 122.0 0.905 . . . . 0.0 109.459 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 mp -93.29 -43.87 8.59 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 113.043 -1.89 . . . . 0.0 106.678 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.06 -19.29 65.92 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 113.1 -1.864 . . . . 0.0 109.845 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.08 -25.75 17.04 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.31 -1.314 . . . . 0.0 108.368 177.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -86.68 -11.39 51.39 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.424 -1.262 . . . . 0.0 109.464 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -95.16 -32.28 13.14 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 112.974 -1.921 . . . . 0.0 106.16 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -29.87 34.28 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 112.844 -1.98 . . . . 0.0 107.115 175.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -83.66 -13.52 53.99 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 114.251 -1.34 . . . . 0.0 109.254 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 tt -80.0 -38.0 33.03 Favored 'General case' 0 C--O 1.216 -0.69 0 C-N-CA 124.938 1.295 . . . . 0.0 109.919 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -71.59 -26.27 62.53 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 112.856 -1.974 . . . . 0.0 107.963 175.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.0 -21.72 24.67 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 110.049 -3.251 . . . . 0.0 108.024 178.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.84 -38.84 17.69 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 105.696 -1.964 . . . . 0.0 105.696 176.051 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -74.94 -30.07 61.13 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 112.819 -1.991 . . . . 0.0 108.393 177.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -77.86 -25.58 48.77 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -86.16 -21.89 27.31 Favored 'General case' 0 C--N 1.347 0.482 0 CA-C-N 113.766 -1.561 . . . . 0.0 108.104 176.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -86.3 -13.66 45.96 Favored 'General case' 0 C--N 1.34 0.184 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 175.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.02 -24.11 18.45 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 112.746 -2.024 . . . . 0.0 106.383 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -85.06 -30.39 24.14 Favored 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 tp -80.84 -29.02 35.92 Favored 'General case' 0 C--O 1.207 -1.144 0 CA-C-N 111.712 -2.495 . . . . 0.0 108.031 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.52 -20.24 37.12 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 176.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -88.86 -32.81 17.6 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 112.814 -1.994 . . . . 0.0 107.991 176.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 58.9 mttt -87.35 -16.54 34.73 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.538 -1.21 . . . . 0.0 110.13 176.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.83 -59.84 4.44 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.462 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -83.04 -41.23 18.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.592 -1.185 . . . . 0.0 112.095 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.324 -179.903 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.341 0 CA-C-O 120.976 0.417 . . . . 0.0 112.116 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 tt -95.78 -62.09 1.35 Allowed 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.301 -1.318 . . . . 0.0 109.938 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -32.13 68.82 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 113.448 -1.706 . . . . 0.0 112.615 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -93.83 -11.41 31.26 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 124.153 0.908 . . . . 0.0 110.638 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -22.83 22.66 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 175.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -92.06 -30.93 15.76 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 111.584 -2.553 . . . . 0.0 106.874 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.52 -17.28 39.47 Favored 'General case' 0 CA--C 1.509 -0.615 0 O-C-N 125.04 1.463 . . . . 0.0 107.149 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -28.65 23.21 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 174.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.17 -18.93 35.07 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 112.921 -1.945 . . . . 0.0 107.542 176.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.28 -22.41 23.92 Favored 'General case' 0 CA--C 1.495 -1.149 0 N-CA-C 105.096 -2.187 . . . . 0.0 105.096 174.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -86.77 -25.02 24.87 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 110.954 -2.839 . . . . 0.0 108.683 176.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.65 -19.99 23.02 Favored 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -81.43 -33.89 31.84 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 111.772 -2.467 . . . . 0.0 106.568 175.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.81 -35.06 60.16 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 126.454 1.902 . . . . 0.0 106.623 177.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.14 -23.64 51.68 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-N 111.473 -2.603 . . . . 0.0 107.101 175.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.99 -22.94 28.92 Favored 'General case' 0 C--O 1.213 -0.844 0 O-C-N 124.987 1.429 . . . . 0.0 107.209 176.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -89.14 -19.55 25.36 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 174.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -14.03 35.28 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 112.18 -2.282 . . . . 0.0 108.343 174.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -97.38 -42.81 7.58 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.94 -51.38 8.12 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 111.781 -2.463 . . . . 0.0 113.076 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.57 -12.21 32.37 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -28.52 17.58 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 118.346 0.521 . . . . 0.0 109.836 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tt -75.36 -35.82 61.06 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 126.411 1.885 . . . . 0.0 107.608 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.41 -33.98 71.99 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 111.552 -2.567 . . . . 0.0 107.222 175.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -77.24 -34.43 55.86 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 111.84 -2.436 . . . . 0.0 108.734 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.4 -34.28 67.77 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 175.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.511 -0.521 0 CA-C-N 112.178 -2.283 . . . . 0.0 109.779 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 . . . . . 0 N--CA 1.469 0.484 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.04 -6.54 0.25 Allowed 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.8 mt -94.64 -68.39 0.8 Allowed 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.026 0.93 . . . . 0.0 109.864 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -59.83 -12.25 7.08 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 114.436 -1.256 . . . . 0.0 111.603 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -95.6 -41.3 8.99 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.689 1.196 . . . . 0.0 109.274 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -75.16 -12.63 60.34 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.865 0.841 . . . . 0.0 109.834 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -93.33 -44.17 8.43 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 113.291 -1.777 . . . . 0.0 106.812 178.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.57 -19.26 65.85 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 113.132 -1.849 . . . . 0.0 109.902 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.38 -25.99 17.45 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.352 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -86.16 -11.0 53.72 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.515 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -94.61 -29.43 14.86 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 113.279 -1.782 . . . . 0.0 106.623 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -29.21 23.88 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 112.427 -2.169 . . . . 0.0 107.223 175.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -89.0 -13.98 37.59 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 114.402 -1.272 . . . . 0.0 110.723 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 11.6 tp -82.53 -30.81 29.51 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 124.771 1.228 . . . . 0.0 111.396 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.43 -18.84 34.66 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 126.762 2.025 . . . . 0.0 106.686 177.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.34 -17.46 21.6 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 112.161 -2.291 . . . . 0.0 106.688 177.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.47 -43.05 9.93 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 176.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -74.43 -27.1 60.46 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 113.74 -1.573 . . . . 0.0 109.313 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -80.42 -19.35 46.4 Favored 'General case' 0 C--N 1.344 0.339 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 174.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -93.5 -26.08 17.32 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 113.479 -1.691 . . . . 0.0 109.072 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -88.41 -15.75 34.67 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 114.429 -1.259 . . . . 0.0 108.758 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.94 -21.12 19.99 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 175.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -36.95 21.42 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 112.747 -2.024 . . . . 0.0 106.75 176.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 8.7 tp -77.65 -28.57 51.32 Favored 'General case' 0 C--O 1.204 -1.324 0 CA-C-N 112.015 -2.357 . . . . 0.0 108.325 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.0 -21.48 33.88 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 106.576 -1.638 . . . . 0.0 106.576 177.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.5 -31.72 21.16 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 112.731 -2.031 . . . . 0.0 107.744 176.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -88.21 -16.36 33.49 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.115 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 61.6 tp -61.35 -59.7 4.87 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.371 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -88.11 -42.44 12.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.112 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.066 -0.969 . . . . 0.0 111.176 -179.701 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 121.384 0.612 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tt -92.09 -46.95 7.51 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 113.739 -1.573 . . . . 0.0 106.88 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.08 -25.93 65.58 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 112.983 -1.917 . . . . 0.0 108.982 176.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -89.45 -16.32 31.11 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 113.907 -1.497 . . . . 0.0 110.423 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -22.75 23.31 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -90.75 -31.13 16.66 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 111.867 -2.424 . . . . 0.0 106.946 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.93 -19.66 36.82 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 113.28 -1.782 . . . . 0.0 107.872 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.71 -22.41 19.42 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 176.193 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -86.09 -21.5 27.64 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 113.015 -1.902 . . . . 0.0 106.621 175.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.36 -34.9 21.7 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 113.241 -1.8 . . . . 0.0 106.849 176.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 7.4 t-105 -79.22 -19.84 49.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 111.519 -2.582 . . . . 0.0 107.949 176.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.46 -32.35 20.87 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 175.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.94 -31.54 64.67 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 111.529 -2.578 . . . . 0.0 106.968 176.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -32.89 39.45 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 112.997 -1.91 . . . . 0.0 107.656 177.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.08 -18.32 47.0 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 111.976 -2.374 . . . . 0.0 108.238 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.86 -38.31 19.63 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 176.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.96 -43.89 61.75 Favored 'General case' 0 C--O 1.204 -1.291 0 CA-C-N 111.813 -2.449 . . . . 0.0 106.086 174.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -65.97 -12.56 55.83 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.057 -1.428 . . . . 0.0 108.394 176.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.71 -35.08 10.68 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 174.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.72 -53.31 4.47 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 113.409 -1.723 . . . . 0.0 111.959 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.63 -13.39 56.58 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.17 -21.67 18.93 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.38 -35.45 73.52 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 126.329 1.852 . . . . 0.0 107.627 176.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.95 -23.98 52.38 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 112.003 -2.362 . . . . 0.0 107.207 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -83.98 -35.08 24.2 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 112.593 -2.094 . . . . 0.0 107.807 175.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.43 -33.09 62.87 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 106.098 -1.816 . . . . 0.0 106.098 175.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 N--CA 1.449 -0.49 0 CA-C-N 112.499 -2.137 . . . . 0.0 109.134 176.251 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 . . . . . 0 CA--C 1.536 0.43 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.31 -20.75 13.03 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -178.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tt -97.49 -69.61 0.75 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.246 0.618 . . . . 0.0 111.477 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -62.08 -14.56 37.54 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 114.58 -1.191 . . . . 0.0 112.39 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -95.77 -40.36 9.39 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.402 1.081 . . . . 0.0 109.707 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -75.53 -12.49 60.24 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-O 121.81 0.814 . . . . 0.0 109.812 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -93.23 -44.56 8.27 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 113.325 -1.762 . . . . 0.0 106.765 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.68 -18.59 65.44 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 113.368 -1.742 . . . . 0.0 110.044 176.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.66 -25.31 17.54 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 114.439 -1.255 . . . . 0.0 108.225 177.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -87.26 -14.06 42.03 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.12 -1.4 . . . . 0.0 109.668 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -94.98 -32.6 13.1 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 126.329 1.852 . . . . 0.0 106.482 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -29.73 42.17 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 112.547 -2.115 . . . . 0.0 107.033 175.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -85.65 -14.49 45.37 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.064 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.09 -17.21 28.13 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 124.557 1.143 . . . . 0.0 109.644 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.23 -19.89 18.97 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 126.233 1.813 . . . . 0.0 106.175 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.28 -27.87 15.27 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 112.115 -2.311 . . . . 0.0 108.33 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.67 -41.97 12.99 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -66.12 -30.58 71.1 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.374 175.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -77.09 -27.83 54.3 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 174.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.92 -20.14 29.45 Favored 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 125.015 1.447 . . . . 0.0 108.266 177.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -86.63 -13.7 44.86 Favored 'General case' 0 C--N 1.346 0.427 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 174.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.11 -24.75 18.17 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 112.674 -2.057 . . . . 0.0 106.538 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -85.71 -29.84 23.61 Favored 'General case' 0 CA--C 1.497 -1.079 0 N-CA-C 106.206 -1.776 . . . . 0.0 106.206 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.7 tp -80.86 -29.27 35.82 Favored 'General case' 0 C--O 1.205 -1.277 0 CA-C-N 111.948 -2.387 . . . . 0.0 108.01 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.77 -20.41 35.93 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 176.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -89.21 -31.38 17.94 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 112.796 -2.002 . . . . 0.0 107.988 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -87.95 -18.84 28.21 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.105 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -56.51 -59.95 4.24 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.46 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -81.78 -41.36 21.27 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.461 -1.245 . . . . 0.0 112.113 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.285 -179.873 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.317 0 CA-C-O 121.346 0.593 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -92.5 -36.71 12.92 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 113.796 -1.547 . . . . 0.0 107.552 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.26 -23.61 47.23 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 113.2 -1.818 . . . . 0.0 108.024 176.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -88.53 -17.71 29.67 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 113.329 -1.76 . . . . 0.0 109.579 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.08 -24.08 22.37 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 106.514 -1.662 . . . . 0.0 106.514 177.06 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.55 -18.67 21.99 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 112.333 -2.212 . . . . 0.0 107.013 177.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.06 -20.99 21.46 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.61 -29.77 17.59 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 112.976 -1.92 . . . . 0.0 106.092 176.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -82.47 -18.68 40.84 Favored 'General case' 0 CA--C 1.508 -0.658 0 O-C-N 125.398 1.686 . . . . 0.0 106.807 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.23 -34.19 28.97 Favored 'General case' 0 N--CA 1.423 -1.785 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 174.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -79.52 -19.64 49.11 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 111.485 -2.598 . . . . 0.0 108.814 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.53 -18.87 24.51 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 174.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.92 -32.22 23.22 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-N 111.233 -2.712 . . . . 0.0 106.939 175.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -82.2 -26.59 33.2 Favored 'General case' 0 CA--C 1.49 -1.363 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.83 -16.89 39.84 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 111.753 -2.476 . . . . 0.0 106.973 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.53 -26.47 20.86 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.56 -29.95 23.75 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 106.444 -1.687 . . . . 0.0 106.444 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.61 -19.01 39.21 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 112.447 -2.16 . . . . 0.0 108.944 175.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.14 -30.12 20.05 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 104.475 -2.417 . . . . 0.0 104.475 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 tt -75.06 -42.99 55.86 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 112.599 -2.091 . . . . 0.0 105.979 174.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.16 -12.88 61.38 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 113.518 -1.674 . . . . 0.0 110.343 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.66 -27.88 40.83 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 124.518 1.127 . . . . 0.0 109.234 178.144 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.69 -32.32 46.97 Favored 'General case' 0 CA--C 1.5 -0.949 0 C-N-CA 125.756 1.623 . . . . 0.0 109.183 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -84.36 -18.9 34.65 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 111.587 -2.551 . . . . 0.0 106.351 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -85.05 -26.19 27.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 112.738 -2.028 . . . . 0.0 107.188 173.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.08 -31.55 17.09 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 114.461 -1.245 . . . . 0.0 107.799 175.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 113.344 -1.753 . . . . 0.0 113.007 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.3 -7.08 20.26 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.1 tt -95.41 -68.57 0.79 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.184 0.994 . . . . 0.0 110.271 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -59.57 -12.98 7.55 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.586 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -95.83 -40.01 9.54 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.743 1.217 . . . . 0.0 109.48 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -75.5 -12.77 60.3 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 122.041 0.924 . . . . 0.0 109.804 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -93.44 -44.16 8.39 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 113.143 -1.844 . . . . 0.0 106.802 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.79 -16.66 64.22 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 113.204 -1.816 . . . . 0.0 110.026 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.76 -26.41 16.27 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.573 -1.194 . . . . 0.0 108.084 177.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -81.38 -28.49 34.38 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 114.139 -1.392 . . . . 0.0 109.661 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -82.88 -29.84 29.02 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 126.158 1.783 . . . . 0.0 106.837 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -27.81 45.3 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 112.717 -2.038 . . . . 0.0 105.905 174.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -77.2 -28.51 53.93 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 113.54 -1.664 . . . . 0.0 109.181 175.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -44.82 89.85 Favored 'General case' 0 C--O 1.203 -1.391 0 CA-C-O 123.524 1.63 . . . . 0.0 109.414 176.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -21.28 63.99 Favored 'General case' 0 C--N 1.29 -2.003 0 CA-C-N 112.668 -2.06 . . . . 0.0 107.896 176.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.65 -38.3 8.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 113.082 -1.872 . . . . 0.0 112.247 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.83 -40.88 14.5 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.078 0.951 . . . . 0.0 110.285 -176.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -76.18 -24.35 54.74 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 114.296 -1.32 . . . . 0.0 107.771 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -83.93 -18.07 38.59 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 173.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -90.15 -23.95 21.2 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 113.622 -1.626 . . . . 0.0 107.665 175.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -89.5 -16.15 31.4 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 113.697 -1.592 . . . . 0.0 107.672 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.04 -21.57 19.65 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.52 -35.8 24.55 Favored 'General case' 0 N--CA 1.428 -1.54 0 CA-C-N 112.97 -1.923 . . . . 0.0 106.353 175.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.4 tp -76.65 -29.45 56.41 Favored 'General case' 0 C--O 1.208 -1.094 0 CA-C-N 111.758 -2.474 . . . . 0.0 108.036 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.39 -19.76 35.45 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 177.033 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -88.09 -32.62 18.62 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 112.893 -1.958 . . . . 0.0 107.58 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -86.32 -15.97 38.93 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.623 176.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 39.7 tp -57.12 -59.36 5.2 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.02 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -84.11 -41.28 17.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.757 -1.11 . . . . 0.0 112.009 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.278 -179.832 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.331 0 CA-C-O 121.049 0.452 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -95.72 -61.14 1.51 Allowed 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.248 -1.342 . . . . 0.0 109.822 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -31.88 67.26 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 113.62 -1.627 . . . . 0.0 112.435 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -92.19 -11.87 34.33 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.096 0.872 . . . . 0.0 110.305 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.42 -20.86 23.42 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 175.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -89.9 -36.72 14.88 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 111.241 -2.709 . . . . 0.0 106.545 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.81 -19.53 51.91 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 113.139 -1.846 . . . . 0.0 107.794 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.87 -28.84 18.97 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 175.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -80.24 -21.23 43.03 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 125.407 1.692 . . . . 0.0 106.761 176.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.6 -35.25 27.25 Favored 'General case' 0 N--CA 1.42 -1.929 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 175.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -78.87 -18.83 53.28 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 111.717 -2.492 . . . . 0.0 108.724 176.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -92.53 -16.47 25.69 Favored 'General case' 0 CA--C 1.495 -1.159 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 174.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -88.9 -24.46 22.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 111.368 -2.651 . . . . 0.0 106.957 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -91.28 -29.24 17.28 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 113.37 -1.741 . . . . 0.0 106.52 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.83 -19.03 31.27 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 111.99 -2.368 . . . . 0.0 107.982 175.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tt -86.0 -34.69 20.74 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 175.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.62 -39.04 70.72 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 112.363 -2.198 . . . . 0.0 107.772 175.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -78.86 -17.26 55.92 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 112.558 -2.11 . . . . 0.0 109.276 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.38 -31.78 19.93 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 175.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.13 -44.09 55.06 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 112.545 -2.116 . . . . 0.0 106.589 174.56 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.21 -13.38 61.9 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 112.692 -2.049 . . . . 0.0 110.555 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.02 -26.11 36.66 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.766 1.227 . . . . 0.0 109.281 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 tt -80.92 -44.62 17.98 Favored 'General case' 0 C--O 1.209 -1.053 0 C-N-CA 126.09 1.756 . . . . 0.0 107.077 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.65 -24.07 63.57 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 125.398 1.686 . . . . 0.0 106.736 174.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -72.6 -26.78 61.82 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 113.505 -1.679 . . . . 0.0 106.544 173.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.28 -41.05 9.24 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 113.667 -1.606 . . . . 0.0 109.593 175.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.235 0.301 0 CA-C-N 113.97 -1.468 . . . . 0.0 114.093 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 . . . . . 0 N--CA 1.469 0.509 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.01 -7.64 16.1 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -96.56 -69.15 0.77 Allowed 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.156 0.582 . . . . 0.0 112.168 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.06 -13.2 59.59 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.047 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -95.34 -37.44 10.97 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.358 1.063 . . . . 0.0 109.22 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 mmtt -76.21 -12.75 60.15 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 121.883 0.849 . . . . 0.0 109.132 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 9.1 tp -93.1 -40.27 10.6 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 113.203 -1.817 . . . . 0.0 106.787 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.78 -17.68 63.43 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 113.854 -1.521 . . . . 0.0 109.556 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.9 -25.2 16.67 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 114.096 -1.411 . . . . 0.0 108.266 177.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -87.11 -12.29 47.55 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.334 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -94.74 -32.59 13.26 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 126.045 1.738 . . . . 0.0 106.821 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -26.65 31.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 112.866 -1.97 . . . . 0.0 107.503 176.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -92.38 -13.9 29.45 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.006 176.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 6.7 tp -81.06 -40.77 23.66 Favored 'General case' 0 C--O 1.208 -1.091 0 C-N-CA 125.14 1.376 . . . . 0.0 111.418 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -17.02 55.12 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 111.691 -2.504 . . . . 0.0 107.779 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.29 -25.23 16.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 112.685 -2.052 . . . . 0.0 107.923 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.15 -42.09 12.57 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 113.729 -1.578 . . . . 0.0 106.99 177.251 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -71.06 -29.13 64.94 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 113.776 -1.557 . . . . 0.0 108.837 177.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.9 -28.09 55.2 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 174.178 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -86.22 -22.42 26.92 Favored 'General case' 0 CA--C 1.513 -0.449 0 O-C-N 125.119 1.512 . . . . 0.0 108.536 177.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -86.72 -13.62 44.84 Favored 'General case' 0 C--N 1.341 0.212 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.97 -24.96 18.21 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 112.87 -1.968 . . . . 0.0 106.557 176.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -85.9 -29.28 23.78 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 175.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.6 tp -80.82 -31.0 35.74 Favored 'General case' 0 C--O 1.208 -1.13 0 CA-C-N 111.849 -2.432 . . . . 0.0 107.949 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.68 -20.35 36.32 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 177.212 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -87.39 -31.78 19.92 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 113.058 -1.883 . . . . 0.0 107.55 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -86.18 -16.43 37.83 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.609 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 49.2 tp -58.73 -59.37 5.52 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.077 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -87.0 -41.87 13.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.806 -1.088 . . . . 0.0 112.076 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.283 -179.66 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.362 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tt -95.69 -61.01 1.53 Allowed 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.768 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -32.25 68.31 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 113.521 -1.672 . . . . 0.0 112.565 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -93.75 -11.46 31.34 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.254 0.971 . . . . 0.0 110.627 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.72 -23.12 23.03 Favored 'General case' 0 C--O 1.228 -0.077 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 175.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tp -91.77 -31.26 15.83 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 111.852 -2.431 . . . . 0.0 107.171 177.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.85 -19.6 40.69 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 113.7 -1.591 . . . . 0.0 107.556 176.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -29.82 17.45 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 176.037 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -82.05 -17.6 46.11 Favored 'General case' 0 CA--C 1.511 -0.55 0 O-C-N 125.415 1.697 . . . . 0.0 107.241 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.56 -31.83 24.15 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 175.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 14.2 t-105 -80.96 -24.0 38.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 110.901 -2.863 . . . . 0.0 109.012 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -91.88 -18.99 22.97 Favored 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -81.86 -33.34 30.65 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 111.675 -2.511 . . . . 0.0 106.277 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.2 -34.06 56.19 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-N 112.815 -1.993 . . . . 0.0 106.793 177.161 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.94 -15.55 53.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 111.698 -2.501 . . . . 0.0 107.508 175.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.39 -25.83 21.35 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 174.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.55 -30.3 22.0 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 113.575 -1.648 . . . . 0.0 106.794 176.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.17 -19.4 34.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 112.404 -2.18 . . . . 0.0 108.959 176.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.71 -31.4 19.72 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 104.459 -2.423 . . . . 0.0 104.459 175.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.15 -43.78 64.12 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 112.64 -2.073 . . . . 0.0 106.006 174.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.44 -16.02 62.37 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 113.568 -1.651 . . . . 0.0 110.529 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.47 -27.5 41.57 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 124.503 1.121 . . . . 0.0 109.552 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -76.06 -42.67 46.78 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 125.999 1.72 . . . . 0.0 108.182 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.09 -22.87 61.29 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 112.506 -2.134 . . . . 0.0 107.669 176.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -84.37 -34.92 23.51 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 113.06 -1.882 . . . . 0.0 107.698 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.79 -37.07 65.08 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 175.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-N 112.692 -2.049 . . . . 0.0 109.674 176.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.55 -14.08 17.61 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -97.07 -68.59 0.79 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.182 0.993 . . . . 0.0 111.006 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -55.47 -15.5 2.8 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 114.022 -1.444 . . . . 0.0 111.986 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -95.87 -40.27 9.4 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.583 1.153 . . . . 0.0 109.365 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -75.78 -12.32 60.16 Favored 'General case' 0 N--CA 1.486 1.325 0 CA-C-O 121.944 0.878 . . . . 0.0 109.874 177.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.33 -45.65 7.72 Favored 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 126.376 1.87 . . . . 0.0 106.772 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.65 -14.85 63.29 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 113.278 -1.783 . . . . 0.0 110.463 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.13 -27.75 15.41 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.517 1.127 . . . . 0.0 108.24 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 tp -81.08 -32.83 33.75 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.004 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -78.72 -30.24 45.81 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 126.676 1.99 . . . . 0.0 107.72 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -31.83 43.9 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 113.083 -1.871 . . . . 0.0 106.763 175.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -86.23 -14.96 42.32 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 113.929 -1.487 . . . . 0.0 110.804 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 tp -87.18 -29.89 21.42 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 124.189 0.996 . . . . 0.0 110.73 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.42 -19.05 34.11 Favored 'General case' 0 C--N 1.309 -1.171 0 C-N-CA 126.767 2.027 . . . . 0.0 106.657 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.26 -16.28 22.58 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 112.529 -2.123 . . . . 0.0 106.692 177.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.83 -42.47 9.51 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 112.946 -1.934 . . . . 0.0 105.903 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -77.02 -27.0 54.4 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 113.518 -1.673 . . . . 0.0 109.499 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -80.47 -18.4 48.78 Favored 'General case' 0 C--N 1.345 0.395 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 174.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -93.43 -25.86 17.47 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 113.442 -1.708 . . . . 0.0 108.806 176.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.07 -16.44 31.57 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 114.317 -1.31 . . . . 0.0 108.64 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.96 -21.17 19.94 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 105.804 -1.924 . . . . 0.0 105.804 176.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.87 -37.36 22.52 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-N 112.932 -1.94 . . . . 0.0 106.58 176.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 7.2 tp -78.07 -27.64 48.62 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-N 112.091 -2.322 . . . . 0.0 108.337 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.36 -20.7 33.79 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 177.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -89.12 -31.7 17.87 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 112.94 -1.936 . . . . 0.0 108.092 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -87.11 -19.48 28.47 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.134 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -58.29 -60.34 3.93 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.465 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -93.48 -42.35 9.3 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.601 -1.182 . . . . 0.0 111.66 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.178 0 C-N-CA 124.345 1.058 . . . . 0.0 112.299 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.43 0 CA-C-O 121.965 0.888 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 10.3 mp -94.22 -52.4 4.38 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 112.868 -1.969 . . . . 0.0 108.976 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.36 -30.48 64.88 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 113.517 -1.674 . . . . 0.0 111.047 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -87.43 -23.31 24.54 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 114.569 -1.196 . . . . 0.0 109.988 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -19.19 37.18 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tt -89.03 -34.35 16.84 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 111.145 -2.752 . . . . 0.0 105.892 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.05 -22.85 48.49 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 112.839 -1.982 . . . . 0.0 108.447 176.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -84.85 -37.73 20.33 Favored 'General case' 0 CA--C 1.49 -1.348 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -73.09 -20.23 60.99 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 111.536 -2.575 . . . . 0.0 108.418 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.63 -31.72 24.07 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 175.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -80.23 -23.44 40.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 110.951 -2.84 . . . . 0.0 108.845 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -92.2 -17.59 24.64 Favored 'General case' 0 CA--C 1.497 -1.093 0 N-CA-C 106.233 -1.766 . . . . 0.0 106.233 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -83.12 -31.16 27.38 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 111.671 -2.513 . . . . 0.0 106.018 174.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.99 -34.5 32.94 Favored 'General case' 0 N--CA 1.433 -1.318 0 CA-C-N 112.835 -1.984 . . . . 0.0 107.353 177.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.07 -17.24 47.32 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 111.986 -2.37 . . . . 0.0 107.896 175.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 tp -83.34 -37.53 23.25 Favored 'General case' 0 CA--C 1.495 -1.154 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.27 -40.15 59.08 Favored 'General case' 0 C--O 1.205 -1.237 0 CA-C-N 111.713 -2.494 . . . . 0.0 106.504 175.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -12.16 61.35 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 113.642 -1.617 . . . . 0.0 108.345 176.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.63 -34.5 10.92 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 174.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.88 -53.23 4.48 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 113.297 -1.774 . . . . 0.0 112.532 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.77 -12.6 41.68 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -176.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.45 -26.05 24.89 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tt -70.55 -46.89 62.7 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 113.663 -1.608 . . . . 0.0 107.235 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -25.55 64.44 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 125.522 1.764 . . . . 0.0 107.166 174.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -76.41 -24.14 54.04 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.331 -1.758 . . . . 0.0 107.055 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.1 -40.36 9.66 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 114.121 -1.399 . . . . 0.0 109.227 175.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.235 0.333 0 CA-C-N 113.699 -1.591 . . . . 0.0 114.057 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 111.531 0.197 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.5 -8.36 17.1 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 tt -96.77 -69.16 0.77 Allowed 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.792 0.837 . . . . 0.0 110.635 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.73 -13.01 12.3 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 114.343 -1.299 . . . . 0.0 112.039 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -95.85 -41.34 8.87 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.513 1.125 . . . . 0.0 109.503 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -75.57 -12.58 60.25 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.907 177.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.43 -44.43 8.26 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 113.456 -1.702 . . . . 0.0 106.732 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.91 -19.8 66.12 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 113.248 -1.796 . . . . 0.0 110.006 176.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.01 -25.63 17.88 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.286 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.55 -14.89 41.6 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.857 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -95.05 -30.57 14.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 113.256 -1.793 . . . . 0.0 106.29 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -30.62 41.1 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 112.621 -2.081 . . . . 0.0 106.541 175.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -81.98 -13.85 56.84 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 113.945 -1.48 . . . . 0.0 109.351 175.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -87.92 -19.72 26.92 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 125.012 1.325 . . . . 0.0 109.736 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -19.41 19.84 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 105.971 -1.863 . . . . 0.0 105.971 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.29 -25.85 16.17 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 112.117 -2.31 . . . . 0.0 108.223 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.43 -40.42 13.51 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -68.79 -29.23 67.54 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 114.015 -1.448 . . . . 0.0 108.762 175.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -81.49 -17.7 47.71 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 174.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -91.38 -23.95 19.91 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 113.765 -1.562 . . . . 0.0 107.704 176.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.76 -16.18 34.92 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 113.658 -1.61 . . . . 0.0 107.555 176.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.02 -21.84 19.51 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 176.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -35.8 22.86 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 112.875 -1.966 . . . . 0.0 106.387 175.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 tp -76.01 -30.01 58.36 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-N 111.93 -2.395 . . . . 0.0 107.921 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.58 -19.68 35.12 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.74 -32.47 19.13 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 112.741 -2.027 . . . . 0.0 107.484 176.245 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -86.17 -17.15 35.65 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.287 -1.324 . . . . 0.0 109.613 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.12 -59.18 5.47 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.86 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -86.73 -42.04 13.67 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.639 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.23 0 C-N-CA 124.441 1.097 . . . . 0.0 112.212 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 tt -96.17 -61.83 1.38 Allowed 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 114.286 -1.324 . . . . 0.0 110.173 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -32.44 71.77 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 113.469 -1.696 . . . . 0.0 112.791 -178.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -93.72 -10.96 32.57 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 124.288 0.992 . . . . 0.0 110.543 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.1 -24.81 22.17 Favored 'General case' 0 C--O 1.225 -0.187 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 175.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.87 -21.72 19.08 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 112.125 -2.307 . . . . 0.0 107.508 177.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.88 -20.21 22.5 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.77 -30.34 17.08 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 113.283 -1.78 . . . . 0.0 106.248 175.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -80.68 -20.01 43.93 Favored 'General case' 0 CA--C 1.508 -0.655 0 O-C-N 125.268 1.605 . . . . 0.0 106.743 176.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.54 -36.29 26.47 Favored 'General case' 0 N--CA 1.422 -1.862 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 175.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -78.16 -19.55 53.75 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 111.805 -2.452 . . . . 0.0 108.844 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -92.48 -15.84 26.57 Favored 'General case' 0 CA--C 1.494 -1.194 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 174.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -89.94 -24.71 21.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 111.352 -2.658 . . . . 0.0 107.295 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -92.94 -28.73 16.27 Favored 'General case' 0 CA--C 1.496 -1.135 0 CA-C-N 113.389 -1.732 . . . . 0.0 106.617 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.0 -17.82 32.11 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 112.125 -2.307 . . . . 0.0 107.952 175.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 tt -85.61 -36.01 20.63 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 105.225 -2.139 . . . . 0.0 105.225 175.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -41.82 63.68 Favored 'General case' 0 N--CA 1.431 -1.399 0 CA-C-N 112.092 -2.322 . . . . 0.0 108.602 176.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -77.04 -15.68 59.52 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 113.334 -1.757 . . . . 0.0 109.499 176.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.91 -31.92 16.2 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 104.264 -2.495 . . . . 0.0 104.264 175.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 tt -74.69 -48.38 26.32 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 112.405 -2.18 . . . . 0.0 106.886 175.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.43 -13.13 62.0 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.365 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.23 -21.5 24.47 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.997 0.919 . . . . 0.0 109.469 178.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -84.57 -42.79 15.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 113.259 -1.791 . . . . 0.0 108.637 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.53 -27.29 55.91 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 112.702 -2.045 . . . . 0.0 108.434 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -86.43 -25.07 25.43 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 124.918 1.386 . . . . 0.0 107.689 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.41 -37.32 65.96 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 105.464 -2.05 . . . . 0.0 105.464 174.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.651 0 CA-C-N 111.455 -2.612 . . . . 0.0 110.935 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.514 0 CA-C-O 120.366 0.127 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.31 -10.71 15.31 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.1 mt -97.06 -70.15 0.73 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.384 0.612 . . . . 0.0 112.082 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.98 -12.89 41.97 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.964 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -95.89 -38.71 10.15 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.364 1.066 . . . . 0.0 109.728 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -76.03 -12.58 60.15 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 121.975 0.893 . . . . 0.0 109.517 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.5 -43.73 8.58 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 113.125 -1.852 . . . . 0.0 106.735 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.88 -18.96 65.63 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 112.988 -1.915 . . . . 0.0 110.008 176.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.33 -24.26 18.18 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.263 177.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -86.11 -16.16 38.87 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 114.168 -1.378 . . . . 0.0 109.439 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -94.61 -29.18 14.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.491 -1.686 . . . . 0.0 107.119 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -29.64 25.74 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 112.885 -1.961 . . . . 0.0 107.239 175.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -84.91 -18.29 35.16 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.8 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tp -72.34 -38.07 68.71 Favored 'General case' 0 C--O 1.205 -1.277 0 CA-C-O 123.436 1.589 . . . . 0.0 110.222 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -19.51 61.06 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 111.528 -2.578 . . . . 0.0 107.515 177.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.11 -33.42 10.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 112.962 -1.927 . . . . 0.0 111.651 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.91 -40.63 11.61 Favored 'General case' 0 CA--C 1.51 -0.562 0 O-C-N 124.125 0.891 . . . . 0.0 109.815 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -78.91 -21.81 46.8 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 114.494 -1.23 . . . . 0.0 108.52 177.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -84.03 -17.83 39.08 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 173.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -92.0 -24.14 19.31 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 113.436 -1.711 . . . . 0.0 107.994 176.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -90.39 -15.08 31.69 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-N 114.01 -1.45 . . . . 0.0 107.798 176.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.99 -21.73 19.59 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 175.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -36.57 23.86 Favored 'General case' 0 N--CA 1.427 -1.604 0 CA-C-N 112.764 -2.016 . . . . 0.0 106.448 176.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 8.3 tp -77.83 -28.1 50.13 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-N 111.959 -2.382 . . . . 0.0 108.186 176.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.1 -20.25 35.21 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 176.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -89.03 -32.86 17.38 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 112.814 -1.994 . . . . 0.0 107.952 176.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -86.48 -17.52 34.0 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.026 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.01 -60.18 4.12 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.211 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -91.38 -42.38 10.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.615 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.168 0 C-N-CA 124.412 1.085 . . . . 0.0 112.245 -179.944 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.381 0 CA-C-O 121.0 0.428 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -86.63 -34.93 19.67 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.346 -1.297 . . . . 0.0 107.575 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.36 -23.6 43.25 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 113.054 -1.885 . . . . 0.0 108.019 176.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -89.75 -18.26 26.68 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 113.38 -1.736 . . . . 0.0 109.747 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -24.8 23.49 Favored 'General case' 0 C--O 1.226 -0.145 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 176.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.52 -19.58 21.08 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 112.388 -2.187 . . . . 0.0 107.187 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.86 -21.18 21.57 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 176.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -29.44 18.16 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 113.171 -1.831 . . . . 0.0 106.158 176.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -82.1 -18.8 41.73 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 125.327 1.642 . . . . 0.0 106.827 176.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.56 -32.71 23.67 Favored 'General case' 0 N--CA 1.429 -1.519 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 175.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -80.0 -24.24 40.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 111.219 -2.719 . . . . 0.0 109.179 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -91.02 -19.7 22.9 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 176.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -82.08 -33.98 29.56 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 111.702 -2.499 . . . . 0.0 106.413 175.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -33.83 58.2 Favored 'General case' 0 N--CA 1.435 -1.223 0 C-N-CA 126.425 1.89 . . . . 0.0 106.961 177.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.86 -16.18 51.6 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 111.775 -2.466 . . . . 0.0 107.641 175.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.4 -26.8 20.83 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.68 -30.94 21.32 Favored 'General case' 0 CA--C 1.499 -1.003 0 CA-C-N 113.558 -1.655 . . . . 0.0 106.886 176.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.14 -18.62 38.81 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 112.7 -2.046 . . . . 0.0 109.105 176.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.1 -31.4 19.24 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 175.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tt -73.98 -43.33 58.48 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 112.663 -2.062 . . . . 0.0 106.578 174.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.43 -12.81 60.6 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 113.481 -1.69 . . . . 0.0 110.534 177.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.59 -30.15 56.86 Favored 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 124.587 1.155 . . . . 0.0 109.791 178.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tt -77.88 -40.54 39.64 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 125.868 1.667 . . . . 0.0 108.777 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.44 -22.82 57.04 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 112.624 -2.08 . . . . 0.0 107.62 176.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -85.11 -34.71 22.13 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 113.215 -1.811 . . . . 0.0 107.827 174.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.12 -34.92 68.96 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 174.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.45 -0.442 0 CA-C-N 112.155 -2.293 . . . . 0.0 109.806 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.34 -19.5 13.45 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 tt -97.38 -69.62 0.75 Allowed 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 123.517 0.727 . . . . 0.0 111.461 -178.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.54 -14.22 39.74 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 114.643 -1.162 . . . . 0.0 112.416 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -95.67 -40.36 9.43 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 124.381 1.073 . . . . 0.0 109.679 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -75.81 -12.33 60.15 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 121.846 0.831 . . . . 0.0 109.71 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -93.35 -44.52 8.25 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 113.317 -1.765 . . . . 0.0 106.736 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.42 -19.74 65.71 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 113.362 -1.745 . . . . 0.0 109.891 176.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.94 -25.85 17.84 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 114.241 -1.345 . . . . 0.0 108.261 177.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -87.5 -10.99 50.22 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.465 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -95.06 -33.23 12.77 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 113.128 -1.851 . . . . 0.0 106.396 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -30.23 35.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 112.41 -2.177 . . . . 0.0 107.25 175.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -84.29 -14.11 50.65 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.567 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 10.8 tp -84.34 -30.97 25.07 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 124.933 1.293 . . . . 0.0 110.537 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.27 -18.94 34.78 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 127.119 2.168 . . . . 0.0 106.66 177.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.88 -18.05 21.5 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 112.332 -2.213 . . . . 0.0 106.613 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.41 -41.23 12.22 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 112.749 -2.023 . . . . 0.0 105.63 176.113 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -74.46 -28.11 60.89 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 113.294 -1.775 . . . . 0.0 108.861 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -81.97 -17.32 47.37 Favored 'General case' 0 C--N 1.346 0.444 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 174.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -92.4 -24.44 18.87 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 113.663 -1.608 . . . . 0.0 107.935 176.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -89.53 -15.25 33.35 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 113.831 -1.531 . . . . 0.0 107.933 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.92 -21.95 19.51 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 175.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.89 -36.52 23.3 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-N 112.693 -2.049 . . . . 0.0 106.474 176.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.2 tp -77.27 -28.4 53.47 Favored 'General case' 0 C--O 1.206 -1.188 0 CA-C-N 111.937 -2.392 . . . . 0.0 108.086 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.1 -20.22 35.26 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -89.2 -32.02 17.64 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 112.82 -1.991 . . . . 0.0 107.836 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -86.25 -19.53 29.81 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.453 -1.248 . . . . 0.0 109.924 176.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mt -57.95 -60.3 3.92 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.405 178.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -93.04 -42.34 9.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.609 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.16 0 C-N-CA 124.375 1.07 . . . . 0.0 112.252 -179.927 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 111.716 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 7.5 tt -95.89 -62.28 1.31 Allowed 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.813 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -32.09 67.36 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 113.37 -1.741 . . . . 0.0 112.423 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -93.98 -11.0 31.8 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.236 0.96 . . . . 0.0 110.602 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.67 -24.07 22.85 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 175.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 tp -89.32 -36.09 15.74 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 111.52 -2.582 . . . . 0.0 106.937 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.02 -17.06 53.79 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 125.331 1.645 . . . . 0.0 107.67 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.15 -28.08 22.67 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 104.97 -2.233 . . . . 0.0 104.97 174.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -82.69 -21.43 34.88 Favored 'General case' 0 C--N 1.343 0.325 0 O-C-N 125.851 1.97 . . . . 0.0 107.334 176.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -85.8 -28.57 24.42 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 104.911 -2.255 . . . . 0.0 104.911 175.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -83.18 -18.93 37.63 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 111.729 -2.487 . . . . 0.0 108.679 176.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.36 -18.62 25.18 Favored 'General case' 0 CA--C 1.493 -1.235 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 174.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.63 -34.42 23.09 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 110.943 -2.844 . . . . 0.0 106.804 175.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -82.64 -26.9 31.76 Favored 'General case' 0 CA--C 1.492 -1.259 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.43 -17.92 37.65 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 112.183 -2.28 . . . . 0.0 107.323 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 tt -86.58 -38.5 17.08 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 113.664 -1.607 . . . . 0.0 106.772 176.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -78.08 -24.47 47.6 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 125.443 1.714 . . . . 0.0 107.454 175.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.81 -15.71 47.31 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 112.908 -1.951 . . . . 0.0 107.935 175.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.18 -29.63 12.73 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 113.335 -1.757 . . . . 0.0 107.471 175.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.18 -47.42 7.8 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 113.549 -1.66 . . . . 0.0 112.21 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.0 -12.08 31.56 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.808 1.411 . . . . 0.0 114.808 -177.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -94.4 -42.64 8.77 Favored 'General case' 0 C--O 1.198 -1.631 0 CA-C-N 118.307 0.503 . . . . 0.0 110.684 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -61.69 -35.48 78.14 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 125.743 1.902 . . . . 0.0 110.895 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -80.68 -26.64 37.43 Favored 'General case' 0 CA--C 1.495 -1.139 0 CA-C-N 112.069 -2.332 . . . . 0.0 107.846 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -83.09 -32.26 26.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 112.009 -2.36 . . . . 0.0 108.566 175.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.84 -32.8 59.95 Favored 'General case' 0 CA--C 1.496 -1.1 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 N--CA 1.448 -0.53 0 CA-C-N 112.284 -2.235 . . . . 0.0 109.182 176.056 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.98 -7.61 16.13 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.0 tt -96.04 -68.63 0.79 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.044 0.938 . . . . 0.0 110.08 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.13 -14.01 14.88 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 114.589 -1.187 . . . . 0.0 112.022 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -95.67 -39.07 10.08 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.547 1.139 . . . . 0.0 109.395 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -75.84 -12.73 60.22 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.938 0.875 . . . . 0.0 109.755 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.18 -44.02 8.55 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 113.118 -1.855 . . . . 0.0 106.835 178.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.02 -19.21 65.78 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 113.288 -1.778 . . . . 0.0 109.808 176.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.33 -26.41 17.3 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 114.382 -1.281 . . . . 0.0 108.385 177.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.67 -13.07 49.68 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.572 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -94.36 -29.14 15.16 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 178.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -81.79 -30.29 32.33 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 112.398 -2.183 . . . . 0.0 106.291 175.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -84.58 -13.86 50.49 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.656 175.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -87.77 -16.67 33.53 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 124.447 1.099 . . . . 0.0 109.622 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.63 -21.0 18.5 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 112.543 -2.117 . . . . 0.0 105.519 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.92 -20.28 19.54 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 111.954 -2.384 . . . . 0.0 107.161 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.47 -36.16 16.62 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 176.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -77.06 -28.04 54.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 112.891 -1.959 . . . . 0.0 108.216 176.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -83.33 -16.97 44.05 Favored 'General case' 0 C--N 1.346 0.446 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 174.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.11 -22.39 19.92 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-N 113.51 -1.677 . . . . 0.0 107.524 176.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -90.58 -15.82 29.87 Favored 'General case' 0 C--N 1.343 0.294 0 CA-C-N 113.784 -1.553 . . . . 0.0 107.511 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.91 -21.83 19.6 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.78 -36.59 23.46 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-N 112.722 -2.035 . . . . 0.0 106.225 175.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 tp -74.56 -31.54 62.12 Favored 'General case' 0 C--O 1.201 -1.48 0 CA-C-N 111.998 -2.365 . . . . 0.0 107.714 175.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.39 -20.98 42.78 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 177.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -89.18 -30.42 18.58 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 112.965 -1.925 . . . . 0.0 108.108 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -87.62 -21.5 25.29 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.903 177.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.23 -60.07 4.12 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 121.684 0.754 . . . . 0.0 111.921 178.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -86.69 -43.35 12.66 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 113.61 -1.632 . . . . 0.0 112.049 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.201 0 C-N-CA 124.249 1.02 . . . . 0.0 112.297 -179.843 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.303 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tt -95.58 -58.45 2.11 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 125.122 1.369 . . . . 0.0 110.18 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -32.51 69.6 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 113.567 -1.651 . . . . 0.0 112.42 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -93.53 -11.05 32.81 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 124.115 0.885 . . . . 0.0 110.365 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.77 -23.13 22.97 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 175.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.98 -31.51 17.19 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 111.448 -2.614 . . . . 0.0 106.693 177.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.39 -16.61 42.14 Favored 'General case' 0 CA--C 1.511 -0.52 0 O-C-N 125.187 1.554 . . . . 0.0 106.863 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.82 -28.91 22.64 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 104.602 -2.369 . . . . 0.0 104.602 174.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -83.97 -18.79 36.07 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 112.915 -1.948 . . . . 0.0 107.589 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.25 -22.1 24.13 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 104.91 -2.255 . . . . 0.0 104.91 174.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -87.23 -22.95 24.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 110.699 -2.955 . . . . 0.0 108.374 176.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -93.05 -16.79 24.61 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 175.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.44 -25.49 26.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 111.601 -2.545 . . . . 0.0 106.272 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.06 -35.13 18.9 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 112.31 -2.223 . . . . 0.0 107.137 177.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.6 -16.92 46.62 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 112.14 -2.3 . . . . 0.0 108.176 176.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 tt -85.6 -36.04 20.63 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 105.269 -2.123 . . . . 0.0 105.269 174.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.14 -39.34 72.02 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-N 111.853 -2.43 . . . . 0.0 107.789 175.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.3 -16.03 57.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 112.496 -2.138 . . . . 0.0 109.283 176.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.2 -32.23 19.91 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 104.364 -2.458 . . . . 0.0 104.364 175.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.32 -41.86 55.85 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 112.531 -2.122 . . . . 0.0 107.156 174.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.72 -12.49 60.2 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 112.309 -2.223 . . . . 0.0 110.444 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -30.92 62.52 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 124.716 1.206 . . . . 0.0 109.263 178.351 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mp -73.86 -49.68 23.89 Favored 'General case' 0 C--O 1.202 -1.439 0 CA-C-N 113.625 -1.625 . . . . 0.0 107.322 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -21.06 66.17 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 125.92 2.012 . . . . 0.0 107.85 175.133 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -79.89 -27.4 40.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 113.548 -1.66 . . . . 0.0 107.039 173.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.5 -37.24 11.49 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 113.949 -1.478 . . . . 0.0 109.115 175.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 113.319 -1.764 . . . . 0.0 113.207 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 . . . . . 0 N--CA 1.469 0.492 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.5 -13.66 24.34 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.53 -69.43 0.76 Allowed 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.873 0.844 . . . . 0.0 111.616 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -58.64 -16.73 17.45 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 113.528 -1.669 . . . . 0.0 112.299 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -95.5 -36.52 11.27 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 124.195 0.998 . . . . 0.0 109.447 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -74.53 -12.85 60.58 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 122.214 1.007 . . . . 0.0 109.357 176.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mp -93.68 -43.89 8.43 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 112.866 -1.97 . . . . 0.0 106.731 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.71 -15.0 62.66 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 112.992 -1.913 . . . . 0.0 110.233 176.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.3 -26.87 16.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 177.168 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 49.1 tp -74.16 -44.17 54.53 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 113.591 -1.64 . . . . 0.0 109.278 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -70.55 -28.88 65.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 112.545 -2.116 . . . . 0.0 108.188 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -79.47 -29.05 41.54 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 174.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -76.33 -27.88 56.69 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 113.422 -1.717 . . . . 0.0 108.866 175.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mp -62.44 -47.7 82.91 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-O 123.539 1.638 . . . . 0.0 108.396 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -25.17 5.69 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 113.118 -1.855 . . . . 0.0 108.285 176.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.53 -35.56 9.11 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 112.61 -2.086 . . . . 0.0 112.44 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.24 -46.69 9.49 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 124.268 1.027 . . . . 0.0 109.886 -177.049 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -71.47 -25.28 62.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.119 -1.4 . . . . 0.0 108.279 176.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -84.18 -17.04 41.25 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 174.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.2 -23.06 19.49 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 113.635 -1.621 . . . . 0.0 107.455 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -89.89 -16.16 30.62 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 113.714 -1.585 . . . . 0.0 107.648 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.0 -21.33 19.82 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 106.109 -1.812 . . . . 0.0 106.109 176.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.18 -35.63 23.41 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 112.968 -1.924 . . . . 0.0 106.405 176.024 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.3 tp -76.76 -30.69 56.66 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 111.62 -2.536 . . . . 0.0 107.926 176.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.77 -20.2 36.32 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 177.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -85.85 -30.59 22.82 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 112.847 -1.979 . . . . 0.0 107.046 175.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -85.76 -18.1 33.96 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.029 -1.441 . . . . 0.0 109.576 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 10.2 tt -74.05 -60.34 2.31 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.658 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -76.05 -55.6 5.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.392 -1.276 . . . . 0.0 111.154 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.22 0 CA-C-N 114.628 -1.169 . . . . 0.0 112.322 179.819 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.257 0 CA-C-O 121.079 0.466 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -96.95 -53.78 3.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.275 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -32.57 74.36 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 113.616 -1.629 . . . . 0.0 112.712 -178.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -93.49 -10.84 33.57 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.233 0.958 . . . . 0.0 110.174 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.95 -23.18 22.74 Favored 'General case' 0 C--N 1.34 0.182 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 175.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp -91.8 -31.16 15.85 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 111.799 -2.455 . . . . 0.0 107.227 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.75 -20.01 36.77 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 113.515 -1.675 . . . . 0.0 107.542 176.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -29.4 18.52 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 175.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -80.63 -20.5 43.03 Favored 'General case' 0 CA--C 1.511 -0.541 0 O-C-N 125.439 1.712 . . . . 0.0 106.795 176.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.9 -35.41 26.16 Favored 'General case' 0 N--CA 1.42 -1.942 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 175.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -78.18 -19.39 54.01 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 111.804 -2.453 . . . . 0.0 108.689 176.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -92.2 -16.82 25.71 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -88.95 -23.9 22.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 111.315 -2.675 . . . . 0.0 107.201 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -91.07 -28.92 17.63 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 113.344 -1.753 . . . . 0.0 106.312 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.69 -19.43 30.88 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 111.995 -2.366 . . . . 0.0 107.858 175.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.51 -33.66 21.75 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 175.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.55 -39.06 65.0 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-N 112.466 -2.152 . . . . 0.0 107.915 175.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -77.41 -17.01 58.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 112.68 -2.054 . . . . 0.0 108.932 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.67 -31.14 18.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 104.602 -2.369 . . . . 0.0 104.602 175.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 tt -75.89 -41.12 52.97 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 112.541 -2.118 . . . . 0.0 106.574 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.74 -12.79 60.04 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 113.345 -1.752 . . . . 0.0 110.369 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.77 -28.87 61.89 Favored 'General case' 0 C--O 1.215 -0.738 0 C-N-CA 124.744 1.218 . . . . 0.0 110.167 178.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -29.29 33.0 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 125.426 1.49 . . . . 0.0 109.294 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -85.6 -21.14 28.62 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 111.904 -2.407 . . . . 0.0 106.589 177.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -88.36 -30.98 19.13 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 112.928 -1.942 . . . . 0.0 107.87 174.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.19 -31.1 60.86 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 174.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 N--CA 1.45 -0.471 0 CA-C-N 111.753 -2.476 . . . . 0.0 111.59 177.536 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 . . . . . 0 N--CA 1.47 0.561 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.54 -7.13 0.37 Allowed 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.92 -69.35 0.76 Allowed 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 123.627 0.771 . . . . 0.0 109.761 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -56.77 -14.23 3.19 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 113.743 -1.572 . . . . 0.0 111.926 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -95.97 -42.02 8.49 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.812 1.245 . . . . 0.0 109.344 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -76.69 -12.3 59.98 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.159 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -92.78 -44.16 8.66 Favored 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 126.026 1.73 . . . . 0.0 106.937 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.85 -16.57 63.81 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 113.529 -1.669 . . . . 0.0 109.981 176.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.9 -25.99 16.34 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 114.568 -1.196 . . . . 0.0 107.81 177.275 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 tt -77.52 -41.38 39.42 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 113.916 -1.493 . . . . 0.0 109.112 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -70.19 -29.15 65.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 112.787 -2.006 . . . . 0.0 108.522 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -83.49 -29.78 27.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 113.266 -1.788 . . . . 0.0 107.199 175.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -84.45 -14.55 48.93 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.219 -1.355 . . . . 0.0 110.694 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.19 -24.0 28.08 Favored 'General case' 0 C--O 1.222 -0.349 0 C-N-CA 124.276 1.03 . . . . 0.0 110.612 178.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.83 -18.74 25.67 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 112.617 -2.083 . . . . 0.0 105.865 177.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.89 -25.3 16.63 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 111.924 -2.398 . . . . 0.0 107.611 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -40.43 18.1 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 176.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -71.16 -27.69 63.72 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 113.554 -1.657 . . . . 0.0 108.508 175.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -82.47 -18.0 43.24 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 107.348 -1.352 . . . . 0.0 107.348 174.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -92.17 -25.17 18.82 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 113.649 -1.614 . . . . 0.0 108.058 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -87.85 -15.17 37.51 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 113.787 -1.551 . . . . 0.0 107.921 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.92 -22.09 19.43 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 176.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.37 -36.39 22.5 Favored 'General case' 0 N--CA 1.426 -1.638 0 CA-C-N 112.75 -2.023 . . . . 0.0 106.355 176.296 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.2 tp -76.93 -28.57 55.3 Favored 'General case' 0 C--O 1.204 -1.334 0 CA-C-N 112.025 -2.352 . . . . 0.0 108.081 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.86 -20.27 35.87 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 176.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.22 -32.33 17.48 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 112.876 -1.965 . . . . 0.0 107.944 176.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -87.39 -17.45 32.28 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.228 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 mt -58.53 -60.27 4.07 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.499 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.14 -42.13 39.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.644 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.135 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.197 -179.924 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.311 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -96.37 -51.7 4.26 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.536 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -31.53 71.91 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 113.934 -1.485 . . . . 0.0 112.399 -178.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -92.53 -11.8 33.55 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.286 0.991 . . . . 0.0 109.969 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.99 -24.36 22.41 Favored 'General case' 0 C--O 1.225 -0.185 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 175.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.64 -20.23 20.39 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 112.107 -2.315 . . . . 0.0 107.251 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.85 -19.53 22.42 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.48 -22.69 18.71 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 175.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -87.0 -21.47 26.12 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 113.162 -1.835 . . . . 0.0 106.308 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.76 -36.91 21.43 Favored 'General case' 0 N--CA 1.427 -1.593 0 CA-C-N 113.138 -1.846 . . . . 0.0 106.393 176.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -78.52 -16.78 57.09 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 112.445 -2.161 . . . . 0.0 108.386 176.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.46 -30.63 21.87 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 175.366 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 tt -77.21 -38.38 51.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 110.889 -2.869 . . . . 0.0 107.587 176.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -75.54 -27.79 58.8 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 113.362 -1.745 . . . . 0.0 106.831 176.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.2 -29.41 38.61 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 111.839 -2.437 . . . . 0.0 107.468 175.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 tp -77.76 -30.93 51.73 Favored 'General case' 0 CA--C 1.51 -0.564 0 O-C-N 125.211 1.569 . . . . 0.0 107.248 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -36.72 61.92 Favored 'General case' 0 N--CA 1.425 -1.681 0 CA-C-N 112.504 -2.134 . . . . 0.0 106.797 175.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -77.49 -18.92 56.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 112.241 -2.254 . . . . 0.0 109.356 175.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -84.16 -40.67 17.9 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 104.271 -2.492 . . . . 0.0 104.271 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 tt -65.29 -44.27 88.52 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 110.784 -2.917 . . . . 0.0 107.135 174.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.94 -14.08 60.99 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 113.935 -1.484 . . . . 0.0 110.807 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.87 -26.98 44.02 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.281 1.033 . . . . 0.0 109.436 178.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.84 -34.2 45.36 Favored 'General case' 0 CA--C 1.5 -0.958 0 C-N-CA 125.679 1.592 . . . . 0.0 108.802 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.26 -21.87 39.09 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 111.603 -2.544 . . . . 0.0 106.343 175.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -80.31 -26.43 38.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 112.989 -1.914 . . . . 0.0 106.928 173.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.59 -34.62 15.42 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.311 -1.313 . . . . 0.0 108.387 175.561 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 113.54 -1.664 . . . . 0.0 112.872 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 . . . . . 0 N--CA 1.469 0.507 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.77 -6.17 19.84 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.3 tt -93.16 -61.93 1.48 Allowed 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.529 1.131 . . . . 0.0 108.948 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -59.91 -13.35 10.56 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.603 177.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -95.37 -37.98 10.71 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.245 1.418 . . . . 0.0 109.017 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -73.38 -14.01 61.2 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 122.168 0.985 . . . . 0.0 109.486 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 mp -93.63 -44.34 8.23 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 112.902 -1.954 . . . . 0.0 106.855 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.33 -15.28 63.5 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 113.127 -1.851 . . . . 0.0 110.056 176.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.13 -26.88 15.83 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 124.841 1.257 . . . . 0.0 107.954 177.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -80.75 -29.44 36.25 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 113.913 -1.494 . . . . 0.0 109.329 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -82.88 -30.67 28.39 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 126.513 1.925 . . . . 0.0 107.05 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -26.4 50.43 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 112.917 -1.947 . . . . 0.0 105.791 174.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -75.5 -34.51 60.83 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 113.339 -1.755 . . . . 0.0 108.59 174.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -49.25 75.79 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 123.343 1.544 . . . . 0.0 109.512 177.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.63 -29.1 1.12 Allowed 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 113.352 -1.749 . . . . 0.0 108.186 176.179 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.37 -31.36 10.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 112.393 -2.185 . . . . 0.0 112.999 176.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.61 -45.27 8.17 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.975 0.91 . . . . 0.0 109.528 -176.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.51 -27.82 61.58 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.698 -1.137 . . . . 0.0 108.008 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -78.22 -27.17 47.71 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -83.73 -21.77 32.18 Favored 'General case' 0 CA--C 1.509 -0.597 0 O-C-N 125.117 1.51 . . . . 0.0 108.142 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -86.47 -14.49 43.01 Favored 'General case' 0 C--N 1.34 0.195 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 175.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.3 -25.18 17.86 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 112.84 -1.982 . . . . 0.0 106.818 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -85.61 -28.79 24.57 Favored 'General case' 0 CA--C 1.494 -1.173 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 176.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.9 tp -80.84 -31.05 35.62 Favored 'General case' 0 C--O 1.207 -1.148 0 CA-C-N 111.823 -2.444 . . . . 0.0 107.989 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.22 -20.53 37.52 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 106.584 -1.635 . . . . 0.0 106.584 177.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -89.02 -31.71 17.95 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 113.056 -1.883 . . . . 0.0 108.025 176.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -86.24 -19.89 29.28 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.864 176.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.57 -60.19 4.05 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.408 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -91.3 -42.49 10.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.574 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 C-N-CA 124.379 1.071 . . . . 0.0 112.292 -179.933 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 121.002 0.43 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 tt -95.75 -61.47 1.45 Allowed 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.273 -1.33 . . . . 0.0 109.951 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -32.33 69.22 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 113.574 -1.648 . . . . 0.0 112.456 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -90.71 -17.7 26.31 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 123.974 0.796 . . . . 0.0 110.494 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.46 -22.2 32.65 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -89.78 -30.04 18.26 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 111.573 -2.558 . . . . 0.0 106.618 177.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.84 -21.98 40.32 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 113.31 -1.768 . . . . 0.0 107.886 175.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -85.18 -38.72 18.67 Favored 'General case' 0 CA--C 1.488 -1.412 0 N-CA-C 105.915 -1.883 . . . . 0.0 105.915 175.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -72.94 -20.18 61.1 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 111.814 -2.448 . . . . 0.0 108.429 176.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.15 -32.19 24.79 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 175.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -80.0 -23.35 41.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 110.936 -2.847 . . . . 0.0 108.862 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.36 -16.02 25.09 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 175.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -86.66 -25.05 25.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 111.792 -2.458 . . . . 0.0 106.17 174.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.8 -34.3 18.32 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-N 112.521 -2.127 . . . . 0.0 107.487 177.27 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.45 -16.67 41.75 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 112.218 -2.265 . . . . 0.0 108.163 175.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 tt -86.27 -36.07 19.57 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 104.72 -2.326 . . . . 0.0 104.72 175.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.36 -45.58 62.55 Favored 'General case' 0 N--CA 1.427 -1.608 0 CA-C-N 112.224 -2.262 . . . . 0.0 107.389 174.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -68.19 -10.88 57.64 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.104 -1.407 . . . . 0.0 108.401 175.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.65 -33.46 11.31 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 174.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.04 -56.09 3.3 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 113.207 -1.815 . . . . 0.0 111.908 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.82 -12.35 55.73 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 -176.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.07 -23.24 19.54 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.69 -38.7 62.31 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 126.243 1.817 . . . . 0.0 108.608 177.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.19 -24.29 51.43 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-N 112.684 -2.053 . . . . 0.0 107.116 176.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -83.81 -33.94 24.83 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 112.592 -2.094 . . . . 0.0 108.207 175.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.54 -34.25 65.11 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 105.609 -1.997 . . . . 0.0 105.609 174.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.451 -0.407 0 CA-C-N 112.144 -2.298 . . . . 0.0 109.385 176.444 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 . . . . . 0 N--CA 1.468 0.469 0 CA-C-O 120.563 0.22 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -105.73 -7.05 18.63 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.2 tt -96.44 -69.39 0.76 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.454 0.702 . . . . 0.0 111.035 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -63.45 -13.37 39.68 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 114.812 -1.085 . . . . 0.0 112.224 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -95.79 -40.67 9.23 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.353 1.061 . . . . 0.0 109.811 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -76.19 -12.4 60.09 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.689 0.757 . . . . 0.0 109.874 177.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -93.26 -44.58 8.25 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-N 113.472 -1.694 . . . . 0.0 106.755 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.38 -19.26 65.87 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 113.263 -1.79 . . . . 0.0 110.047 176.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.57 -26.7 17.0 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.326 -1.306 . . . . 0.0 108.44 177.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.7 -10.66 53.23 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 124.62 1.2 . . . . 0.0 109.744 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -94.9 -30.91 13.92 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.293 -1.776 . . . . 0.0 106.649 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -86.67 -29.54 22.41 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 112.456 -2.156 . . . . 0.0 107.786 176.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -88.06 -14.28 39.34 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.511 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.17 -28.8 57.46 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 125.253 1.421 . . . . 0.0 111.298 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.2 -19.21 27.18 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 126.356 1.863 . . . . 0.0 106.502 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.7 -18.73 20.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 112.581 -2.1 . . . . 0.0 107.902 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.06 -36.0 11.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 177.191 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -78.87 -28.32 44.13 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 113.892 -1.504 . . . . 0.0 109.084 177.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -80.34 -18.36 49.31 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 174.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -92.85 -24.71 18.39 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 113.469 -1.696 . . . . 0.0 108.536 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -88.92 -16.43 31.86 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 114.207 -1.361 . . . . 0.0 108.244 177.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.89 -21.26 19.94 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 176.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.37 -36.67 22.32 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 112.926 -1.943 . . . . 0.0 106.547 176.221 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 7.1 tp -77.73 -28.46 50.82 Favored 'General case' 0 C--O 1.205 -1.246 0 CA-C-N 111.991 -2.368 . . . . 0.0 108.204 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.7 -20.07 34.13 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 177.023 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -87.99 -31.97 19.08 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 112.908 -1.951 . . . . 0.0 107.637 176.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -87.61 -16.76 33.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.376 -1.283 . . . . 0.0 109.944 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 64.1 tp -58.92 -59.79 4.89 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.015 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -92.63 -42.43 9.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.627 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.228 0 C-N-CA 124.424 1.09 . . . . 0.0 112.155 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.295 0 CA-C-O 120.92 0.391 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tt -95.75 -59.47 1.86 Allowed 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.928 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -32.31 67.79 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 113.718 -1.583 . . . . 0.0 112.436 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -93.43 -11.41 32.22 Favored 'General case' 0 N--CA 1.466 0.325 0 O-C-N 124.189 0.931 . . . . 0.0 110.395 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.64 -22.9 23.21 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 175.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tp -91.13 -31.17 16.33 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 111.635 -2.529 . . . . 0.0 107.179 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.44 -19.34 39.16 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 113.325 -1.761 . . . . 0.0 107.345 175.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.53 -28.85 18.24 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 175.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -81.63 -19.15 42.39 Favored 'General case' 0 CA--C 1.511 -0.529 0 O-C-N 125.511 1.757 . . . . 0.0 106.885 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.0 -33.7 26.48 Favored 'General case' 0 N--CA 1.424 -1.766 0 N-CA-C 105.144 -2.169 . . . . 0.0 105.144 175.168 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 13.4 t-105 -80.96 -19.42 44.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 111.615 -2.539 . . . . 0.0 109.07 176.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.59 -19.98 23.1 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 175.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tt -81.93 -41.34 21.0 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 111.287 -2.688 . . . . 0.0 106.21 175.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -72.37 -28.32 62.94 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 113.5 -1.682 . . . . 0.0 107.091 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.26 -19.4 36.44 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 112.183 -2.28 . . . . 0.0 107.652 175.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 8.1 tp -85.31 -35.86 21.19 Favored 'General case' 0 C--N 1.347 0.483 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 175.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.92 -29.09 55.51 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-N 113.513 -1.676 . . . . 0.0 106.733 176.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.64 -17.64 40.83 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 112.497 -2.138 . . . . 0.0 108.776 175.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -32.36 20.06 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 104.562 -2.384 . . . . 0.0 104.562 175.064 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.33 -41.56 63.34 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 112.605 -2.089 . . . . 0.0 106.868 174.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.55 -12.79 60.0 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 112.109 -2.314 . . . . 0.0 110.815 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -29.3 63.22 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 124.521 1.128 . . . . 0.0 109.794 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 mp -75.93 -48.13 22.46 Favored 'General case' 0 C--O 1.203 -1.347 0 CA-C-N 113.973 -1.467 . . . . 0.0 107.366 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.94 -21.47 65.98 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 112.687 -2.051 . . . . 0.0 107.644 174.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -79.17 -27.55 42.69 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 113.519 -1.673 . . . . 0.0 106.917 173.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.07 -38.21 11.74 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 113.945 -1.48 . . . . 0.0 108.981 175.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.235 0.312 0 CA-C-N 113.335 -1.757 . . . . 0.0 114.009 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 . . . . . 0 N--CA 1.468 0.43 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.57 -7.4 28.25 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.7 mt -96.22 -68.81 0.78 Allowed 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.503 0.721 . . . . 0.0 110.951 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -56.8 -15.6 4.99 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.407 -1.27 . . . . 0.0 112.024 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -95.51 -40.68 9.33 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 124.525 1.13 . . . . 0.0 109.568 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -75.02 -12.37 60.31 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.982 0.896 . . . . 0.0 109.645 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -93.04 -46.16 7.58 Favored 'General case' 0 CA--C 1.496 -1.125 0 CA-C-N 113.093 -1.867 . . . . 0.0 106.601 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.27 -19.94 63.76 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 113.262 -1.79 . . . . 0.0 110.023 176.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.23 -26.57 17.3 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 114.313 -1.312 . . . . 0.0 108.534 177.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -88.72 -11.85 43.97 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.289 -1.323 . . . . 0.0 109.624 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -94.61 -33.55 12.96 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 126.267 1.827 . . . . 0.0 106.089 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -77.05 -30.52 55.68 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 112.581 -2.099 . . . . 0.0 106.657 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -84.35 -13.62 51.83 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 113.877 -1.51 . . . . 0.0 109.792 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -85.06 -13.28 50.91 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.733 1.213 . . . . 0.0 110.707 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -94.66 -26.52 16.29 Favored 'General case' 0 CA--C 1.491 -1.291 0 C-N-CA 126.972 2.109 . . . . 0.0 105.707 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.38 -22.52 22.54 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 109.056 -3.702 . . . . 0.0 107.896 177.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.17 -33.34 19.42 Favored 'General case' 0 C--N 1.343 0.315 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 176.079 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -78.17 -30.62 49.2 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 112.673 -2.058 . . . . 0.0 107.877 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -77.51 -25.58 50.43 Favored 'General case' 0 C--N 1.345 0.378 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 174.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -85.53 -21.04 28.77 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 113.841 -1.527 . . . . 0.0 108.043 176.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -86.86 -13.86 43.72 Favored 'General case' 0 C--N 1.341 0.224 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 175.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.17 -24.32 18.27 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 112.742 -2.026 . . . . 0.0 106.602 176.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -85.22 -29.83 24.36 Favored 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 175.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 tp -80.77 -29.39 36.17 Favored 'General case' 0 C--O 1.208 -1.131 0 CA-C-N 111.787 -2.46 . . . . 0.0 107.921 175.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.1 -20.42 38.14 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 176.498 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -88.99 -32.42 17.64 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 112.847 -1.979 . . . . 0.0 107.975 176.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -87.15 -17.18 33.34 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.969 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.48 -60.03 4.12 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.187 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -86.77 -42.01 13.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.564 -1.198 . . . . 0.0 111.637 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.267 0 C-N-CA 124.368 1.067 . . . . 0.0 112.301 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.159 0 CA-C-O 121.815 0.817 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -95.05 -53.1 3.94 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 113.068 -1.878 . . . . 0.0 108.386 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -31.85 61.96 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 113.332 -1.758 . . . . 0.0 111.535 179.042 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -93.85 -12.22 29.44 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.589 1.18 . . . . 0.0 110.348 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -22.5 21.84 Favored 'General case' 0 C--N 1.339 0.127 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.79 -31.2 15.84 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 111.773 -2.467 . . . . 0.0 107.121 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.21 -20.31 38.01 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 113.337 -1.756 . . . . 0.0 107.523 175.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -29.04 18.72 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 176.068 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -81.14 -19.93 42.43 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 125.467 1.729 . . . . 0.0 106.849 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.75 -34.43 27.15 Favored 'General case' 0 N--CA 1.422 -1.863 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 175.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -79.37 -19.17 50.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 111.699 -2.5 . . . . 0.0 108.86 176.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.63 -19.11 24.03 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 174.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.93 -31.95 23.36 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 111.221 -2.718 . . . . 0.0 107.01 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -82.59 -26.78 31.99 Favored 'General case' 0 CA--C 1.489 -1.367 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.53 -16.96 40.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 111.803 -2.453 . . . . 0.0 106.801 174.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.57 -27.41 20.26 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 174.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.43 -29.63 27.92 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 175.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.27 -19.61 36.0 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 112.241 -2.254 . . . . 0.0 109.263 175.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -30.4 20.61 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 104.044 -2.576 . . . . 0.0 104.044 175.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -46.89 51.1 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-N 112.49 -2.141 . . . . 0.0 106.191 174.092 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.62 -12.85 61.36 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 112.552 -2.113 . . . . 0.0 110.5 177.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.47 -25.17 29.1 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 124.711 1.204 . . . . 0.0 109.417 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 tt -86.05 -45.69 11.18 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 126.185 1.794 . . . . 0.0 107.314 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.0 -21.01 64.17 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 125.277 1.61 . . . . 0.0 107.055 174.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -75.77 -27.22 57.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 113.182 -1.826 . . . . 0.0 106.753 173.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.73 -38.46 10.78 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 113.525 -1.671 . . . . 0.0 109.093 175.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 113.624 -1.626 . . . . 0.0 113.848 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 . . . . . 0 N--CA 1.469 0.478 0 CA-C-O 120.538 0.209 . . . . 0.0 111.482 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.94 -7.06 34.14 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.887 0.475 . . . . 0.0 111.918 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -95.83 -68.22 0.81 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.073 0.949 . . . . 0.0 111.206 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -59.84 -13.76 12.05 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 114.581 -1.191 . . . . 0.0 112.208 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -94.77 -37.95 11.01 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.379 1.072 . . . . 0.0 108.674 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -76.61 -12.1 59.96 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 122.096 0.95 . . . . 0.0 109.109 175.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 tt -93.16 -44.64 8.26 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 126.859 2.064 . . . . 0.0 106.71 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.1 -19.28 65.61 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 113.405 -1.725 . . . . 0.0 109.993 176.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.19 -25.89 18.46 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.456 -1.247 . . . . 0.0 108.37 177.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -85.53 -14.79 44.82 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.608 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -94.99 -29.28 14.71 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 126.177 1.791 . . . . 0.0 106.314 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -32.57 30.0 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 112.464 -2.153 . . . . 0.0 106.965 175.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -82.24 -14.24 55.81 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 114.229 -1.35 . . . . 0.0 109.647 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 3.0 tt -83.89 -38.55 20.98 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 125.04 1.336 . . . . 0.0 109.359 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -16.85 56.36 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 112.445 -2.161 . . . . 0.0 107.439 176.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.14 -22.86 18.2 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 112.756 -2.02 . . . . 0.0 107.409 177.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.78 -39.64 16.9 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 175.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -71.74 -29.72 64.82 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 112.939 -1.937 . . . . 0.0 108.875 176.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -82.19 -16.94 47.96 Favored 'General case' 0 C--N 1.345 0.405 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 174.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.4 -22.95 19.36 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 113.677 -1.601 . . . . 0.0 107.44 176.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -90.08 -15.16 32.26 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 113.781 -1.554 . . . . 0.0 107.616 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.89 -21.97 19.53 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 176.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -36.14 23.46 Favored 'General case' 0 N--CA 1.427 -1.595 0 CA-C-N 112.672 -2.058 . . . . 0.0 106.257 176.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 11.8 tp -77.36 -28.17 52.87 Favored 'General case' 0 C--O 1.205 -1.261 0 CA-C-N 111.91 -2.405 . . . . 0.0 108.037 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.61 -20.55 36.19 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 176.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -89.27 -32.54 17.33 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 112.794 -2.003 . . . . 0.0 108.027 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -86.7 -18.38 31.37 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.961 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mt -56.59 -60.0 4.17 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.577 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -82.54 -41.24 19.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.515 -1.22 . . . . 0.0 112.091 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.087 -0.959 . . . . 0.0 111.327 -179.866 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 120.985 0.422 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 tt -95.78 -62.32 1.31 Allowed 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 114.253 -1.339 . . . . 0.0 109.969 -179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -31.5 68.58 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 113.693 -1.594 . . . . 0.0 112.494 -179.37 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -91.76 -12.0 35.11 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 124.09 0.869 . . . . 0.0 110.375 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.16 -21.11 23.48 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 105.906 -1.886 . . . . 0.0 105.906 175.355 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -90.2 -36.4 14.8 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 111.267 -2.697 . . . . 0.0 106.686 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.89 -19.23 52.41 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 113.215 -1.811 . . . . 0.0 107.899 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.72 -29.58 18.64 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 175.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -81.56 -18.45 44.87 Favored 'General case' 0 CA--C 1.512 -0.491 0 O-C-N 125.53 1.769 . . . . 0.0 107.208 176.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.76 -31.5 23.94 Favored 'General case' 0 N--CA 1.428 -1.549 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 175.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 -80.68 -22.71 40.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 110.84 -2.891 . . . . 0.0 108.681 176.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -93.16 -17.33 23.87 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 175.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.88 -24.85 26.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 111.646 -2.524 . . . . 0.0 106.379 175.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.78 -34.78 19.48 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 112.537 -2.12 . . . . 0.0 107.036 177.097 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.55 -17.49 44.75 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 112.048 -2.342 . . . . 0.0 108.077 175.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 tt -86.16 -35.56 20.06 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 175.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -38.92 72.72 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 111.867 -2.424 . . . . 0.0 107.867 175.304 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -79.25 -16.18 56.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 112.409 -2.178 . . . . 0.0 109.133 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.49 -32.55 19.39 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 104.419 -2.437 . . . . 0.0 104.419 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.06 -42.1 60.73 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 112.589 -2.096 . . . . 0.0 107.015 174.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.81 -12.69 60.22 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 112.159 -2.291 . . . . 0.0 110.648 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.27 -27.6 59.46 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.605 1.162 . . . . 0.0 109.819 178.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.1 -38.39 44.2 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 113.831 -1.531 . . . . 0.0 108.155 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.12 -20.16 49.32 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 111.587 -2.551 . . . . 0.0 106.927 175.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -79.56 -25.57 41.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 113.285 -1.78 . . . . 0.0 106.436 173.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.81 -37.81 12.11 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 113.653 -1.612 . . . . 0.0 108.814 175.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 113.542 -1.663 . . . . 0.0 113.917 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 . . . . . 0 N--CA 1.469 0.489 0 CA-C-O 120.721 0.296 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.38 -21.1 13.18 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 tt -97.52 -70.24 0.73 Allowed 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.141 0.577 . . . . 0.0 112.097 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -65.65 -14.8 61.93 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 114.679 -1.146 . . . . 0.0 112.104 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -95.65 -37.62 10.74 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.191 0.996 . . . . 0.0 110.232 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -75.25 -12.57 60.31 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 122.127 0.965 . . . . 0.0 109.408 176.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -93.56 -43.56 8.64 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 112.885 -1.961 . . . . 0.0 106.761 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.57 -15.64 63.26 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 113.224 -1.807 . . . . 0.0 110.295 176.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.2 -25.2 16.48 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 177.29 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 tt -77.4 -43.35 32.97 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 113.686 -1.597 . . . . 0.0 108.72 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -70.92 -31.96 68.74 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 112.635 -2.075 . . . . 0.0 108.297 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -74.96 -33.0 61.85 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -82.29 -15.17 53.93 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 113.45 -1.705 . . . . 0.0 110.111 176.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.47 -17.11 27.71 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 124.704 1.201 . . . . 0.0 109.472 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.52 -20.61 18.25 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 105.99 -1.856 . . . . 0.0 105.99 178.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.95 -26.87 15.94 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 112.234 -2.257 . . . . 0.0 108.472 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.15 -40.95 14.14 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 176.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -68.41 -28.91 67.5 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.099 -1.409 . . . . 0.0 108.74 174.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -81.52 -18.62 44.41 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -90.85 -24.18 20.34 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 113.713 -1.585 . . . . 0.0 107.777 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -87.99 -15.77 35.55 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 113.766 -1.561 . . . . 0.0 107.647 176.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.99 -21.97 19.45 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.46 -35.79 22.76 Favored 'General case' 0 N--CA 1.427 -1.605 0 CA-C-N 112.803 -1.998 . . . . 0.0 106.411 176.082 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 tp -76.49 -29.49 56.86 Favored 'General case' 0 C--O 1.206 -1.228 0 CA-C-N 111.878 -2.419 . . . . 0.0 108.002 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.25 -19.77 35.78 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 176.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -87.83 -31.23 19.66 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 112.778 -2.01 . . . . 0.0 107.468 176.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -87.28 -18.33 30.45 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.122 -1.399 . . . . 0.0 109.849 176.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 9.6 tt -63.63 -60.13 3.72 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.994 178.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -86.91 -43.21 12.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.874 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.216 0 C-N-CA 124.438 1.095 . . . . 0.0 112.266 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.301 0 CA-C-O 121.126 0.488 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -92.08 -35.61 13.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.213 -1.358 . . . . 0.0 107.481 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.39 -23.58 40.33 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 113.129 -1.851 . . . . 0.0 107.914 176.616 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -85.14 -27.49 26.17 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 113.271 -1.786 . . . . 0.0 109.863 177.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -22.5 38.02 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -88.55 -27.0 21.69 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 111.772 -2.467 . . . . 0.0 106.309 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.35 -21.85 30.76 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 125.271 1.607 . . . . 0.0 107.715 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -82.4 -36.09 27.05 Favored 'General case' 0 CA--C 1.487 -1.456 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 174.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -75.91 -21.91 56.62 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 111.119 -2.764 . . . . 0.0 108.372 176.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -83.23 -29.7 28.27 Favored 'General case' 0 CA--C 1.489 -1.391 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 174.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -80.7 -21.33 41.35 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 111.374 -2.648 . . . . 0.0 108.789 176.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.76 -18.05 25.62 Favored 'General case' 0 CA--C 1.494 -1.177 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 174.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -84.03 -34.01 24.36 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 111.279 -2.691 . . . . 0.0 106.595 175.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -82.44 -28.2 31.47 Favored 'General case' 0 CA--C 1.49 -1.334 0 CA-C-N 113.392 -1.731 . . . . 0.0 106.786 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.95 -17.93 38.97 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 112.099 -2.319 . . . . 0.0 107.38 175.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 44.2 tp -84.78 -37.77 20.4 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 113.75 -1.568 . . . . 0.0 107.472 175.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.3 -26.31 42.29 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 112.625 -2.08 . . . . 0.0 107.413 175.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.08 -15.53 53.15 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 113.241 -1.8 . . . . 0.0 107.62 175.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.7 -30.19 12.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 113.097 -1.865 . . . . 0.0 107.571 175.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.31 -46.53 7.99 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 113.7 -1.591 . . . . 0.0 112.553 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.06 -12.61 32.64 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -176.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -94.16 -42.68 8.85 Favored 'General case' 0 C--O 1.207 -1.158 0 CA-C-O 121.447 0.641 . . . . 0.0 109.67 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -26.71 67.41 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 112.556 -2.111 . . . . 0.0 110.017 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.92 -33.63 39.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 112.225 -2.261 . . . . 0.0 106.972 176.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -79.59 -32.35 41.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 111.733 -2.485 . . . . 0.0 108.871 176.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.58 -30.85 57.19 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 175.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 N--CA 1.452 -0.332 0 CA-C-N 112.272 -2.24 . . . . 0.0 108.721 175.888 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 . . . . . 0 N--CA 1.469 0.504 0 CA-C-O 120.707 0.289 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.47 -5.93 58.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.799 0.84 . . . . 0.0 111.759 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.4 tt -93.53 -60.05 1.86 Allowed 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.921 1.289 . . . . 0.0 109.453 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.59 -13.41 31.03 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.042 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -95.06 -37.47 11.09 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 124.877 1.271 . . . . 0.0 108.602 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -75.43 -12.58 60.28 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 122.074 0.94 . . . . 0.0 109.279 176.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 tt -93.28 -45.93 7.61 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 126.743 2.017 . . . . 0.0 106.491 178.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.61 -16.32 64.11 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 113.553 -1.658 . . . . 0.0 110.054 176.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.5 -27.27 16.07 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 114.453 -1.248 . . . . 0.0 108.389 177.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -85.16 -13.07 51.26 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 124.646 1.216 . . . . 0.0 109.585 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -95.11 -31.55 13.5 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 113.065 -1.88 . . . . 0.0 106.874 178.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.77 -29.46 25.43 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 112.587 -2.097 . . . . 0.0 107.659 176.205 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -85.66 -16.36 39.38 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.743 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -20.23 63.31 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 122.673 1.225 . . . . 0.0 110.823 178.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.05 -19.5 20.8 Favored 'General case' 0 C--N 1.284 -2.266 0 CA-C-N 112.207 -2.269 . . . . 0.0 106.395 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.26 -27.87 13.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 112.761 -2.018 . . . . 0.0 110.788 177.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.12 -40.29 9.69 Favored 'General case' 0 N--CA 1.445 -0.706 0 O-C-N 124.283 0.989 . . . . 0.0 108.933 -179.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -80.05 -21.89 42.95 Favored 'General case' 0 CA--C 1.51 -0.582 0 O-C-N 124.544 1.152 . . . . 0.0 109.215 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -83.35 -17.83 41.01 Favored 'General case' 0 C--N 1.349 0.546 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 173.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -92.22 -24.14 19.13 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-N 113.461 -1.699 . . . . 0.0 108.217 176.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -89.63 -16.24 30.97 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.125 -1.398 . . . . 0.0 107.98 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.97 -21.42 19.79 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 106.02 -1.844 . . . . 0.0 106.02 176.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.73 -36.24 23.81 Favored 'General case' 0 N--CA 1.426 -1.63 0 CA-C-N 112.937 -1.938 . . . . 0.0 106.501 175.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 12.4 tp -76.36 -29.99 57.41 Favored 'General case' 0 C--O 1.205 -1.273 0 CA-C-N 111.812 -2.449 . . . . 0.0 108.017 176.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.31 -19.91 35.36 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 177.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -87.91 -31.4 19.47 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 113.045 -1.889 . . . . 0.0 107.51 176.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -87.5 -16.45 34.69 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.348 -1.296 . . . . 0.0 110.011 176.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.1 -60.46 2.79 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.208 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -87.5 -43.48 12.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.691 -1.141 . . . . 0.0 111.893 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.209 0 C-N-CA 124.351 1.061 . . . . 0.0 112.292 -179.794 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.277 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -96.2 -52.71 3.9 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.583 -178.562 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -31.41 71.99 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 113.949 -1.478 . . . . 0.0 112.203 -178.872 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -91.67 -11.65 36.37 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 124.185 0.928 . . . . 0.0 110.269 178.438 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -22.14 23.53 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 175.015 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 tt -87.87 -40.73 13.75 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 111.228 -2.714 . . . . 0.0 106.319 177.716 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.47 -17.13 59.47 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 125.412 1.695 . . . . 0.0 107.978 176.347 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -28.78 23.34 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 174.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -83.59 -19.06 36.22 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 112.987 -1.915 . . . . 0.0 107.753 177.082 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -89.45 -21.66 22.89 Favored 'General case' 0 CA--C 1.493 -1.219 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 175.227 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -88.37 -24.08 23.2 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 110.982 -2.826 . . . . 0.0 108.948 176.383 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -92.04 -18.98 22.85 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 176.066 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tt -81.38 -36.48 29.54 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-N 111.723 -2.489 . . . . 0.0 106.087 175.406 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.89 -35.82 62.27 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 112.174 -2.285 . . . . 0.0 107.982 176.069 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.55 -17.41 48.5 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 112.319 -2.219 . . . . 0.0 108.368 176.101 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 tt -84.44 -35.77 22.81 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 105.238 -2.134 . . . . 0.0 105.238 174.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.71 -38.96 67.33 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 112.118 -2.31 . . . . 0.0 108.267 176.16 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -78.99 -16.06 57.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 112.761 -2.018 . . . . 0.0 108.935 176.308 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -31.36 18.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 104.429 -2.434 . . . . 0.0 104.429 174.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 tt -75.63 -41.46 54.15 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 112.373 -2.194 . . . . 0.0 106.608 175.111 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.05 -12.23 59.91 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 113.25 -1.796 . . . . 0.0 110.529 177.186 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.61 -29.16 59.12 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 124.714 1.206 . . . . 0.0 109.668 178.489 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 tt -77.58 -45.82 24.09 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-N 113.855 -1.521 . . . . 0.0 107.1 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.3 -20.41 63.02 Favored 'General case' 0 C--O 1.219 -0.536 0 O-C-N 125.682 1.864 . . . . 0.0 107.283 175.072 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -79.35 -25.83 42.19 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 113.391 -1.732 . . . . 0.0 106.788 173.327 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.96 -35.77 11.86 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 113.799 -1.546 . . . . 0.0 108.994 175.637 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 113.651 -1.613 . . . . 0.0 113.387 -179.36 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 . . . . . 0 N--CA 1.472 0.675 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.39 -6.29 22.07 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.393 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 tt -94.85 -67.87 0.83 Allowed 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.233 1.013 . . . . 0.0 110.223 -178.865 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -59.24 -12.98 6.22 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.538 178.883 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -95.76 -40.56 9.29 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.743 1.217 . . . . 0.0 109.425 179.045 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -74.77 -12.5 60.42 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 121.849 0.833 . . . . 0.0 109.702 177.217 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.03 -44.03 8.61 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 113.192 -1.822 . . . . 0.0 107.036 178.292 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.82 -17.02 64.38 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 113.013 -1.903 . . . . 0.0 109.889 176.294 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.08 -26.26 16.11 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 114.451 -1.25 . . . . 0.0 107.901 177.331 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 42.5 tp -74.69 -39.82 61.74 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 114.099 -1.41 . . . . 0.0 110.491 178.763 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -75.09 -31.47 61.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 112.717 -2.038 . . . . 0.0 107.916 177.684 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -30.88 57.26 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 113.271 -1.786 . . . . 0.0 106.197 175.153 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -84.71 -14.43 48.42 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 113.542 -1.663 . . . . 0.0 109.951 175.642 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -89.42 -17.27 29.08 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.119 0.967 . . . . 0.0 109.993 178.653 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -21.0 18.39 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 178.733 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.8 -20.86 19.12 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 111.79 -2.459 . . . . 0.0 107.108 177.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.0 -36.32 19.84 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 175.909 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -76.45 -31.7 57.99 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 112.973 -1.921 . . . . 0.0 107.862 176.565 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -78.26 -25.61 46.88 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 174.851 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.73 -19.25 31.1 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 124.983 1.427 . . . . 0.0 107.955 176.657 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -86.43 -14.88 41.97 Favored 'General case' 0 C--N 1.343 0.318 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 174.817 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.33 -25.05 17.9 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 112.509 -2.132 . . . . 0.0 106.838 176.419 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -86.28 -28.84 23.51 Favored 'General case' 0 CA--C 1.497 -1.078 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 175.835 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.0 tp -79.34 -32.03 43.19 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-N 111.967 -2.379 . . . . 0.0 107.765 176.012 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.95 -20.29 38.92 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 177.025 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -86.56 -31.28 21.31 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 112.978 -1.919 . . . . 0.0 107.355 176.017 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -86.52 -17.51 33.93 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.254 -1.339 . . . . 0.0 109.903 176.417 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 8.4 tt -70.03 -60.11 2.49 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.568 178.439 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -79.13 -53.45 6.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.015 179.377 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.186 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.375 179.843 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 120.942 0.401 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tt -95.68 -60.26 1.69 Allowed 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 125.047 1.339 . . . . 0.0 109.571 -179.601 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -32.5 65.31 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 113.515 -1.675 . . . . 0.0 112.527 -179.253 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -94.38 -11.31 30.17 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.247 0.967 . . . . 0.0 110.486 179.248 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.21 -22.71 22.63 Favored 'General case' 0 N--CA 1.461 0.116 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 175.634 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tp -91.29 -31.53 16.07 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 111.82 -2.445 . . . . 0.0 107.287 177.778 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.52 -19.96 37.66 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 113.39 -1.732 . . . . 0.0 107.505 176.099 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.37 -28.78 18.46 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 176.018 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -81.15 -19.75 42.79 Favored 'General case' 0 CA--C 1.51 -0.587 0 O-C-N 125.415 1.697 . . . . 0.0 106.831 176.534 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.83 -34.92 26.77 Favored 'General case' 0 N--CA 1.421 -1.901 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 175.419 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -79.92 -18.38 50.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 111.595 -2.548 . . . . 0.0 108.903 176.683 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -91.92 -17.85 24.6 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 105.545 -2.02 . . . . 0.0 105.545 174.668 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -84.91 -33.18 22.79 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 111.084 -2.78 . . . . 0.0 106.547 175.36 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -83.87 -27.47 28.64 Favored 'General case' 0 CA--C 1.492 -1.259 0 CA-C-N 113.585 -1.643 . . . . 0.0 106.823 177.102 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.83 -16.45 41.31 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 112.207 -2.269 . . . . 0.0 107.482 175.519 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 tt -85.9 -37.83 18.69 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 175.014 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.95 -31.52 59.1 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 113.105 -1.862 . . . . 0.0 107.548 176.085 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.18 -18.35 43.01 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 112.849 -1.978 . . . . 0.0 108.837 176.111 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.13 -31.65 20.3 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 104.408 -2.442 . . . . 0.0 104.408 175.391 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 tt -73.34 -42.85 61.77 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 112.567 -2.106 . . . . 0.0 106.115 174.882 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.01 -14.45 61.43 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 113.538 -1.665 . . . . 0.0 110.474 177.147 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.41 -26.83 41.83 Favored 'General case' 0 C--O 1.213 -0.836 0 C-N-CA 124.615 1.166 . . . . 0.0 109.909 178.715 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.45 -24.69 36.66 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 125.644 1.578 . . . . 0.0 109.706 179.798 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.15 -24.54 22.17 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 111.098 -2.774 . . . . 0.0 106.226 177.138 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -83.07 -35.14 25.94 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 112.34 -2.209 . . . . 0.0 107.922 175.089 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.42 -34.42 63.25 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 175.654 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-N 112.53 -2.123 . . . . 0.0 110.243 176.855 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.78 -6.53 22.49 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.644 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.3 tt -94.34 -66.1 0.94 Allowed 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.67 1.188 . . . . 0.0 109.743 -178.913 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -57.81 -14.75 6.48 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 114.799 -1.092 . . . . 0.0 111.3 178.559 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -95.44 -38.04 10.64 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 124.986 1.314 . . . . 0.0 109.395 178.786 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -75.4 -12.75 60.32 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 122.126 0.965 . . . . 0.0 109.61 176.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -93.29 -44.05 8.5 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 112.895 -1.957 . . . . 0.0 106.74 178.277 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.37 -15.46 63.32 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 113.065 -1.879 . . . . 0.0 110.15 176.402 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.03 -25.83 16.32 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 177.316 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 34.6 tp -77.37 -37.22 52.65 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 113.707 -1.588 . . . . 0.0 109.97 178.307 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -76.74 -30.77 56.73 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 112.375 -2.193 . . . . 0.0 108.16 177.708 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -79.54 -30.65 41.83 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 113.311 -1.768 . . . . 0.0 106.671 175.401 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -84.71 -14.91 46.97 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 113.748 -1.569 . . . . 0.0 109.898 175.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 tt -84.2 -37.86 21.31 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 124.532 1.133 . . . . 0.0 109.259 178.468 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.35 -18.95 58.64 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 112.741 -2.027 . . . . 0.0 107.427 176.495 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.51 -19.89 20.13 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 112.591 -2.095 . . . . 0.0 106.868 177.301 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.03 -39.91 17.47 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 176.212 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -75.78 -29.18 58.69 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 113.024 -1.898 . . . . 0.0 108.511 177.174 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -82.4 -16.58 48.55 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 174.179 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.48 -23.01 19.26 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 113.626 -1.624 . . . . 0.0 107.515 176.166 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -90.01 -15.64 31.45 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 113.791 -1.55 . . . . 0.0 107.723 176.825 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.92 -21.98 19.5 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 176.272 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -36.36 22.82 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 112.655 -2.066 . . . . 0.0 106.277 176.255 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 12.0 tp -76.9 -28.17 55.24 Favored 'General case' 0 C--O 1.202 -1.402 0 CA-C-N 111.973 -2.376 . . . . 0.0 108.084 176.074 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.72 -20.47 35.97 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 176.746 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -89.24 -32.74 17.26 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 112.9 -1.955 . . . . 0.0 108.098 176.555 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -88.03 -16.16 34.39 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.251 177.085 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mt -57.14 -59.97 4.31 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.437 178.582 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -82.3 -41.54 19.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.007 179.442 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.313 -179.917 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.276 0 CA-C-O 121.072 0.463 . . . . 0.0 112.21 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -96.06 -50.96 4.63 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.268 -1.333 . . . . 0.0 110.03 -178.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -31.45 72.67 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 113.719 -1.582 . . . . 0.0 111.952 -179.146 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -93.63 -10.9 33.01 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.407 1.067 . . . . 0.0 110.211 178.917 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.86 -23.3 22.82 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 175.728 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tp -91.12 -31.4 16.24 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 111.73 -2.486 . . . . 0.0 107.055 177.771 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.54 -19.19 39.11 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 113.439 -1.71 . . . . 0.0 107.382 175.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.33 -29.57 19.05 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 175.898 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -81.28 -19.21 43.48 Favored 'General case' 0 CA--C 1.512 -0.489 0 O-C-N 125.427 1.704 . . . . 0.0 107.056 176.867 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.88 -32.2 23.31 Favored 'General case' 0 N--CA 1.427 -1.603 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 175.561 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -79.6 -22.72 43.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 111.081 -2.781 . . . . 0.0 108.644 176.905 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -91.86 -18.36 23.91 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 175.551 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.32 -24.66 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 111.72 -2.491 . . . . 0.0 106.795 175.561 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.17 -33.44 20.82 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-N 112.59 -2.095 . . . . 0.0 106.385 176.862 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.96 -16.95 45.3 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 111.66 -2.518 . . . . 0.0 107.918 175.25 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -88.59 -25.63 22.37 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 174.924 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.17 -37.74 25.69 Favored 'General case' 0 N--CA 1.427 -1.575 0 CA-C-N 112.548 -2.115 . . . . 0.0 107.204 176.554 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -79.17 -16.56 56.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 112.356 -2.202 . . . . 0.0 109.109 176.236 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -30.27 19.2 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 104.393 -2.447 . . . . 0.0 104.393 175.016 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 tt -76.72 -40.74 47.65 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 112.452 -2.158 . . . . 0.0 106.491 174.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.7 -12.23 59.95 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 113.219 -1.81 . . . . 0.0 110.342 177.424 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.02 -31.71 66.45 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 124.683 1.193 . . . . 0.0 109.516 178.312 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 tt -72.95 -51.7 17.41 Favored 'General case' 0 C--O 1.213 -0.834 0 C-N-CA 126.065 1.746 . . . . 0.0 107.462 179.488 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.45 -21.05 66.19 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 112.164 -2.289 . . . . 0.0 107.792 174.411 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -82.11 -26.25 33.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 113.619 -1.628 . . . . 0.0 107.411 173.736 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.26 -40.59 12.06 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 114.077 -1.42 . . . . 0.0 108.823 175.725 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 CA--C 1.514 -0.433 0 CA-C-N 113.784 -1.553 . . . . 0.0 114.267 -178.822 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.01 -7.56 16.12 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -179.386 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.7 tt -96.81 -69.64 0.75 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 123.873 0.869 . . . . 0.0 110.689 -179.557 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.8 -13.73 26.53 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 114.518 -1.219 . . . . 0.0 112.253 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -95.85 -40.3 9.39 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 124.391 1.077 . . . . 0.0 109.681 179.124 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -76.58 -12.47 60.02 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.834 0.826 . . . . 0.0 109.976 177.677 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.42 -43.08 8.93 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 113.433 -1.712 . . . . 0.0 106.604 178.009 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.1 -19.27 65.79 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 113.03 -1.896 . . . . 0.0 109.808 175.875 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.73 -24.85 17.68 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 114.273 -1.331 . . . . 0.0 108.24 177.699 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -85.76 -11.0 54.66 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.368 178.244 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -95.62 -31.84 13.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 112.776 -2.011 . . . . 0.0 106.539 178.738 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -29.68 23.68 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 112.518 -2.128 . . . . 0.0 107.492 176.38 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -81.68 -14.15 56.96 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.256 176.002 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 tp -82.49 -30.35 29.94 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 124.87 1.268 . . . . 0.0 110.298 178.118 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -18.72 35.46 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 127.103 2.161 . . . . 0.0 106.629 177.352 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.84 -18.71 20.94 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 112.265 -2.243 . . . . 0.0 106.422 176.932 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.04 -40.34 13.92 Favored 'General case' 0 C--N 1.346 0.414 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 175.882 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -75.09 -27.54 59.93 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 113.299 -1.773 . . . . 0.0 108.618 177.049 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -82.77 -17.29 44.71 Favored 'General case' 0 C--N 1.346 0.416 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 174.211 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.3 -22.93 19.46 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 113.37 -1.741 . . . . 0.0 107.526 176.255 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -90.83 -14.55 31.63 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 113.766 -1.561 . . . . 0.0 107.574 176.566 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.07 -21.84 19.48 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 105.839 -1.912 . . . . 0.0 105.839 175.902 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -36.03 23.05 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 112.619 -2.082 . . . . 0.0 106.42 176.186 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 tp -78.0 -27.75 49.08 Favored 'General case' 0 C--O 1.205 -1.255 0 CA-C-N 111.87 -2.423 . . . . 0.0 108.035 176.166 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.74 -20.57 35.71 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 176.701 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -89.31 -32.39 17.37 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 112.723 -2.035 . . . . 0.0 107.963 176.59 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -86.38 -18.78 30.92 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.891 177.061 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 mt -56.33 -59.83 4.39 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.4 178.591 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -81.71 -41.4 21.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.457 -1.247 . . . . 0.0 112.012 179.468 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.033 -0.984 . . . . 0.0 111.243 -179.949 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.28 0 CA-C-O 121.863 0.84 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -94.21 -38.77 10.88 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 113.167 -1.833 . . . . 0.0 109.093 -178.512 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -27.2 65.69 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 113.855 -1.52 . . . . 0.0 109.752 178.724 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -91.26 -15.43 29.2 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 113.83 -1.532 . . . . 0.0 109.634 177.348 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.14 -20.16 24.61 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 176.367 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tt -90.06 -36.32 14.97 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 111.586 -2.552 . . . . 0.0 106.314 177.577 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.37 -19.66 52.9 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 112.954 -1.93 . . . . 0.0 107.818 176.082 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.41 -29.19 19.23 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 175.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -81.29 -19.29 43.28 Favored 'General case' 0 CA--C 1.512 -0.488 0 O-C-N 125.511 1.757 . . . . 0.0 106.991 176.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.23 -31.96 22.88 Favored 'General case' 0 N--CA 1.427 -1.576 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 175.724 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -79.69 -23.21 42.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 111.043 -2.799 . . . . 0.0 108.677 176.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -92.21 -18.22 23.76 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 175.661 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.35 -24.17 25.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 111.644 -2.525 . . . . 0.0 106.792 175.471 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.21 -33.79 20.66 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 112.639 -2.073 . . . . 0.0 106.51 176.858 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.9 -17.38 43.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 111.687 -2.506 . . . . 0.0 107.746 175.392 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -88.28 -26.33 22.35 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 175.008 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.35 -38.0 27.38 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-N 112.638 -2.074 . . . . 0.0 107.391 176.656 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.47 -17.29 56.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 112.487 -2.142 . . . . 0.0 109.141 176.476 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.19 -29.97 18.9 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 104.587 -2.375 . . . . 0.0 104.587 175.245 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 tt -77.05 -40.94 44.45 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 112.539 -2.119 . . . . 0.0 106.644 174.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.54 -12.66 60.06 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 113.175 -1.83 . . . . 0.0 110.37 177.296 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.47 -26.64 61.89 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 124.834 1.254 . . . . 0.0 109.987 178.45 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 4.3 mp -80.64 -46.22 15.98 Favored 'General case' 0 CA--C 1.493 -1.219 0 CA-C-N 113.857 -1.52 . . . . 0.0 107.25 179.495 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.32 -21.94 64.73 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 112.601 -2.09 . . . . 0.0 107.293 174.482 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -76.6 -26.38 54.93 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 113.514 -1.676 . . . . 0.0 106.691 173.099 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.05 -38.7 10.52 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 113.706 -1.588 . . . . 0.0 109.105 175.782 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.235 0.324 0 CA-C-N 113.563 -1.653 . . . . 0.0 114.107 -178.591 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.95 -6.37 6.01 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.941 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.1 -65.71 0.97 Allowed 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 124.28 1.032 . . . . 0.0 108.836 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -55.85 -14.93 2.69 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 113.722 -1.581 . . . . 0.0 111.268 177.605 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -95.64 -39.55 9.85 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.0 1.32 . . . . 0.0 108.899 178.559 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -75.05 -12.97 60.44 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.44 177.095 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.05 -43.76 8.74 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 113.104 -1.862 . . . . 0.0 106.98 178.103 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.17 -18.67 65.49 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 113.121 -1.854 . . . . 0.0 109.649 175.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.07 -25.78 16.32 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 114.146 -1.388 . . . . 0.0 108.1 177.51 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -85.74 -10.69 55.18 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 114.204 -1.362 . . . . 0.0 109.344 178.651 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -94.44 -29.38 14.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 113.1 -1.864 . . . . 0.0 106.269 178.734 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -84.85 -28.81 25.79 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 112.516 -2.129 . . . . 0.0 106.589 175.255 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -86.36 -13.68 45.72 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 114.106 -1.407 . . . . 0.0 109.65 175.817 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 35.6 tp -81.02 -35.39 31.96 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.929 1.291 . . . . 0.0 111.089 179.09 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -18.6 42.53 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 111.579 -2.555 . . . . 0.0 106.894 177.414 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.73 -18.65 21.08 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 112.386 -2.188 . . . . 0.0 106.328 177.074 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.12 -38.97 14.94 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 112.663 -2.062 . . . . 0.0 105.519 175.923 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -75.58 -28.46 58.96 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 112.729 -2.032 . . . . 0.0 108.726 177.197 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -82.75 -16.53 47.6 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 174.06 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -92.21 -23.68 19.28 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 113.552 -1.658 . . . . 0.0 107.704 176.086 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -89.53 -15.71 32.34 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 113.741 -1.572 . . . . 0.0 107.619 176.607 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.99 -21.94 19.47 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 176.274 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.9 -36.38 23.38 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 112.762 -2.017 . . . . 0.0 106.396 176.133 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 7.9 tp -76.64 -28.79 56.19 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 111.924 -2.398 . . . . 0.0 108.094 176.185 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.81 -20.44 35.73 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 176.828 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -89.16 -33.2 17.13 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 112.875 -1.966 . . . . 0.0 107.892 176.611 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -85.25 -17.07 38.1 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.695 176.849 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.93 -59.54 4.9 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.164 178.056 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -82.2 -41.48 20.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.48 -1.236 . . . . 0.0 112.024 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.386 -179.871 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.282 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -96.45 -54.09 3.38 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.449 -1.25 . . . . 0.0 110.281 -178.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -32.25 73.71 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 113.672 -1.604 . . . . 0.0 112.558 -178.858 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -92.64 -11.21 34.78 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 124.278 0.986 . . . . 0.0 110.126 178.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.57 -22.06 22.56 Favored 'General case' 0 C--O 1.226 -0.139 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 175.506 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.15 -28.98 16.74 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 111.893 -2.412 . . . . 0.0 106.912 177.743 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.61 -20.2 31.78 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 113.368 -1.742 . . . . 0.0 107.412 176.414 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -29.91 17.96 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 106.144 -1.798 . . . . 0.0 106.144 175.937 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -81.18 -19.89 42.38 Favored 'General case' 0 CA--C 1.509 -0.621 0 O-C-N 125.459 1.724 . . . . 0.0 106.914 176.733 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.35 -34.81 28.32 Favored 'General case' 0 N--CA 1.421 -1.895 0 N-CA-C 105.44 -2.059 . . . . 0.0 105.44 175.332 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -78.35 -19.86 52.55 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 111.505 -2.589 . . . . 0.0 108.612 176.79 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -91.29 -17.75 25.45 Favored 'General case' 0 CA--C 1.495 -1.162 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 174.668 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -88.41 -23.93 23.19 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 111.373 -2.648 . . . . 0.0 107.268 175.392 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -89.48 -27.5 20.29 Favored 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 176.378 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.56 -18.07 32.43 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 111.522 -2.581 . . . . 0.0 107.683 175.221 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.17 -24.35 22.2 Favored 'General case' 0 C--N 1.348 0.516 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 175.046 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.22 -37.42 23.61 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 112.735 -2.029 . . . . 0.0 107.311 176.407 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.85 -20.96 52.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 112.344 -2.207 . . . . 0.0 109.001 176.324 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -30.18 21.4 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 175.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tt -72.83 -40.01 66.11 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 173.806 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.75 -19.52 62.02 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 113.258 -1.792 . . . . 0.0 110.601 177.681 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -70.07 -46.16 65.52 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-O 122.51 1.148 . . . . 0.0 108.12 177.053 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mp -56.42 -52.0 66.27 Favored 'General case' 0 C--O 1.204 -1.336 0 CA-C-N 111.405 -2.634 . . . . 0.0 109.023 177.689 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.48 -23.61 66.29 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 125.63 1.831 . . . . 0.0 108.442 175.931 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -79.95 -25.77 40.3 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.664 -1.607 . . . . 0.0 107.347 174.101 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.0 -32.19 13.27 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 114.288 -1.324 . . . . 0.0 108.833 175.819 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.235 0.302 0 CA-C-N 113.736 -1.575 . . . . 0.0 112.788 -179.848 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 120.88 0.371 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.46 -32.55 8.05 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.344 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 11.0 mp -96.16 -64.34 1.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.359 1.064 . . . . 0.0 111.173 -178.448 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -60.21 -15.62 26.02 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.764 179.382 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -94.68 -34.27 12.63 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.397 1.079 . . . . 0.0 108.451 178.322 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -76.5 -12.49 60.04 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 122.394 1.092 . . . . 0.0 108.611 175.599 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 tt -93.23 -45.51 7.82 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 112.529 -2.123 . . . . 0.0 106.462 178.686 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.52 -17.02 64.07 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 113.513 -1.676 . . . . 0.0 110.155 176.574 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.69 -23.95 18.04 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 177.254 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -79.87 -30.53 40.24 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 113.791 -1.55 . . . . 0.0 109.547 178.388 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -84.1 -29.73 26.54 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 126.372 1.869 . . . . 0.0 107.468 179.031 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -80.24 -25.83 39.36 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 174.539 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -76.73 -30.48 56.63 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 113.349 -1.75 . . . . 0.0 108.802 175.543 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.62 -48.18 81.87 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 123.746 1.736 . . . . 0.0 109.023 176.3 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -26.84 2.98 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-N 112.792 -2.004 . . . . 0.0 108.331 176.604 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.18 -35.29 8.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 112.675 -2.057 . . . . 0.0 112.551 176.385 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.57 -47.84 8.0 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.235 1.014 . . . . 0.0 110.062 -176.716 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -71.06 -25.72 62.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.279 -1.328 . . . . 0.0 108.21 176.52 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -80.22 -26.16 39.26 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 174.545 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.39 -22.01 30.62 Favored 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 125.066 1.479 . . . . 0.0 108.144 176.624 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -86.05 -14.17 45.18 Favored 'General case' 0 C--N 1.341 0.237 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 175.145 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.3 -24.65 18.07 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 112.799 -2.0 . . . . 0.0 106.741 176.156 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -84.99 -30.23 24.37 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 106.138 -1.801 . . . . 0.0 106.138 175.678 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 14.4 tp -78.9 -31.52 45.4 Favored 'General case' 0 C--O 1.206 -1.234 0 CA-C-N 111.767 -2.469 . . . . 0.0 107.951 175.922 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -82.07 -20.31 38.47 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 177.082 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -87.48 -31.66 19.86 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 112.91 -1.95 . . . . 0.0 107.509 176.259 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -87.04 -16.15 36.5 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.827 176.324 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 9.3 tt -65.63 -60.08 3.28 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.218 178.672 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -82.15 -44.28 16.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.725 -1.125 . . . . 0.0 112.349 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.075 -0.964 . . . . 0.0 111.124 -179.991 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.437 0 CA-C-O 120.917 0.389 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -92.58 -31.26 15.25 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 179.187 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.04 -24.95 26.18 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 112.88 -1.964 . . . . 0.0 108.199 177.134 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -87.68 -17.32 32.06 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 113.924 -1.489 . . . . 0.0 109.939 177.124 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.0 -21.83 23.3 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 106.185 -1.783 . . . . 0.0 106.185 176.591 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tt -88.65 -36.47 16.22 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 111.532 -2.576 . . . . 0.0 106.694 177.434 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.88 -20.72 52.46 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 113.116 -1.856 . . . . 0.0 108.065 176.311 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -28.77 19.42 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 176.136 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -80.85 -20.38 42.49 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 125.409 1.693 . . . . 0.0 106.815 176.722 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.22 -35.32 23.56 Favored 'General case' 0 N--CA 1.419 -1.976 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 175.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -78.86 -19.7 51.36 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 111.962 -2.381 . . . . 0.0 109.074 176.87 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.23 -19.39 24.22 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 174.926 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.78 -33.09 23.07 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 111.131 -2.759 . . . . 0.0 106.872 175.808 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -82.4 -27.12 32.22 Favored 'General case' 0 CA--C 1.49 -1.338 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 177.052 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.55 -19.25 35.99 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 112.107 -2.315 . . . . 0.0 107.265 175.383 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 tt -86.24 -38.57 17.46 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 113.72 -1.582 . . . . 0.0 106.84 175.532 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.04 -31.32 62.84 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 113.249 -1.796 . . . . 0.0 107.336 175.935 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.95 -19.25 44.57 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 112.916 -1.947 . . . . 0.0 109.017 175.841 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.03 -31.17 19.44 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 104.697 -2.334 . . . . 0.0 104.697 175.758 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tt -74.61 -42.75 58.08 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 112.713 -2.039 . . . . 0.0 106.139 175.071 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.34 -14.49 61.75 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 113.556 -1.657 . . . . 0.0 110.421 176.678 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.09 -28.41 48.71 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.558 1.143 . . . . 0.0 109.315 178.559 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tt -75.31 -46.49 33.05 Favored 'General case' 0 C--O 1.215 -0.722 0 C-N-CA 125.934 1.693 . . . . 0.0 107.693 179.094 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.6 -22.72 65.35 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 112.124 -2.307 . . . . 0.0 107.792 175.589 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -83.28 -36.49 24.45 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 113.039 -1.891 . . . . 0.0 107.666 174.257 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.71 -35.49 65.14 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 175.584 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.451 -0.39 0 CA-C-N 112.469 -2.15 . . . . 0.0 109.643 176.882 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 . . . . . 0 N--CA 1.469 0.484 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.61 -7.52 15.66 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.426 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tt -96.68 -68.61 0.79 Allowed 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.713 0.805 . . . . 0.0 111.113 -178.934 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.23 -12.76 54.78 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 114.161 -1.382 . . . . 0.0 111.909 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -95.22 -37.91 10.8 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.328 1.051 . . . . 0.0 109.116 179.283 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 39.0 mttp -75.63 -12.87 60.29 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.91 0.862 . . . . 0.0 109.337 176.625 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 11.9 tp -93.52 -41.89 9.53 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 126.257 1.823 . . . . 0.0 106.989 178.026 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.52 -17.07 63.55 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 113.886 -1.506 . . . . 0.0 109.679 176.618 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.44 -26.36 17.25 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-N 114.214 -1.357 . . . . 0.0 108.184 177.717 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.76 -11.53 50.78 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 124.701 1.25 . . . . 0.0 109.374 178.68 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -95.63 -33.88 12.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.109 -1.859 . . . . 0.0 106.474 178.445 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.15 -29.84 34.6 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 112.36 -2.2 . . . . 0.0 107.439 176.257 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -82.88 -14.43 54.25 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.216 176.361 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.88 -23.13 24.05 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-O 122.151 0.977 . . . . 0.0 110.33 178.692 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.58 -18.71 23.65 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 112.313 -2.222 . . . . 0.0 105.978 178.187 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.45 -23.97 17.51 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 112.151 -2.295 . . . . 0.0 107.301 177.634 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.23 -40.5 17.99 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 175.85 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -70.74 -30.37 66.87 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 113.543 -1.662 . . . . 0.0 108.341 176.123 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.79 -26.59 49.8 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 174.591 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -84.93 -22.81 29.1 Favored 'General case' 0 CA--C 1.51 -0.575 0 O-C-N 125.024 1.453 . . . . 0.0 108.26 176.926 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -84.24 -14.41 50.03 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 174.929 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.29 -25.17 17.88 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 112.764 -2.016 . . . . 0.0 106.734 176.339 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -86.16 -29.49 23.22 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 175.808 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 8.4 tp -79.74 -30.64 40.92 Favored 'General case' 0 C--O 1.208 -1.131 0 CA-C-N 111.992 -2.367 . . . . 0.0 107.941 175.947 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.73 -20.38 36.1 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 176.856 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.16 -32.49 17.46 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 112.961 -1.927 . . . . 0.0 107.998 176.664 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -86.33 -18.14 32.71 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.857 176.714 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.73 -59.97 4.23 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.676 0.61 . . . . 0.0 112.351 178.486 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -87.95 -42.05 12.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.633 179.337 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.208 0 C-N-CA 124.459 1.104 . . . . 0.0 112.293 179.98 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.309 0 CA-C-O 121.382 0.61 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -92.26 -47.32 7.27 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 179.245 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.04 -26.21 65.76 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 112.971 -1.922 . . . . 0.0 109.137 176.536 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -89.11 -16.68 30.91 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.999 1.437 . . . . 0.0 110.54 177.743 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.11 -23.26 23.73 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 106.783 -1.562 . . . . 0.0 106.783 177.169 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tp -91.56 -31.06 16.06 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 111.833 -2.439 . . . . 0.0 107.258 177.855 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.17 -21.0 36.74 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 113.425 -1.716 . . . . 0.0 107.711 176.121 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -29.24 18.62 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 176.211 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -81.01 -20.24 42.21 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 125.4 1.687 . . . . 0.0 106.799 176.716 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.87 -35.59 26.11 Favored 'General case' 0 N--CA 1.421 -1.894 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 175.59 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -79.06 -19.52 51.17 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 111.935 -2.393 . . . . 0.0 109.014 177.003 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -91.24 -18.28 24.66 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 174.918 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -84.86 -33.88 22.75 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 111.242 -2.708 . . . . 0.0 106.757 175.635 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -83.16 -26.92 30.46 Favored 'General case' 0 CA--C 1.491 -1.309 0 CA-C-N 113.556 -1.656 . . . . 0.0 106.812 177.278 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.17 -17.29 37.63 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 112.134 -2.303 . . . . 0.0 107.455 175.549 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 tt -84.57 -39.85 18.26 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 175.025 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.12 -31.66 58.75 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 112.961 -1.927 . . . . 0.0 107.949 176.774 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.0 -19.47 40.41 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 113.314 -1.767 . . . . 0.0 109.233 176.425 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.37 -32.92 19.34 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 104.534 -2.395 . . . . 0.0 104.534 175.731 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 tt -72.7 -45.69 57.51 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 112.727 -2.033 . . . . 0.0 106.08 174.93 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.07 -14.14 62.53 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 113.724 -1.58 . . . . 0.0 110.687 177.765 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.28 -24.53 39.97 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.605 1.162 . . . . 0.0 109.879 178.696 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 tt -85.95 -42.24 14.21 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 113.701 -1.59 . . . . 0.0 108.608 179.766 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.95 -26.72 60.64 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-N 112.986 -1.915 . . . . 0.0 108.351 177.068 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -84.02 -29.96 26.51 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 113.937 -1.483 . . . . 0.0 107.408 174.862 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.86 -40.03 69.27 Favored 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 174.744 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.45 -0.454 0 CA-C-N 111.788 -2.46 . . . . 0.0 110.007 177.038 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.91 -12.3 15.2 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -179.076 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 tt -97.33 -69.79 0.74 Allowed 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.263 0.625 . . . . 0.0 111.348 -178.959 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.48 -13.08 37.0 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 114.565 -1.198 . . . . 0.0 112.238 -179.561 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -95.91 -40.4 9.32 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.453 1.101 . . . . 0.0 109.733 179.241 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -76.73 -12.15 59.95 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 121.751 0.786 . . . . 0.0 109.894 177.804 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.33 -43.81 8.61 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-N 113.392 -1.731 . . . . 0.0 106.728 177.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.19 -18.86 65.61 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 113.212 -1.813 . . . . 0.0 109.912 176.044 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.73 -26.36 17.04 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.354 177.736 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -86.26 -10.94 53.62 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.553 178.724 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -95.04 -29.86 14.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 113.221 -1.809 . . . . 0.0 106.216 178.009 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.4 -29.92 27.76 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 112.507 -2.133 . . . . 0.0 106.91 175.608 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -85.2 -13.92 48.45 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.553 175.856 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 tt -83.91 -37.36 22.46 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 124.92 1.288 . . . . 0.0 109.351 178.68 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -18.8 57.89 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 112.448 -2.16 . . . . 0.0 107.411 176.415 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.64 -19.79 20.14 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 112.564 -2.107 . . . . 0.0 106.72 177.435 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.59 -40.11 16.61 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 112.812 -1.995 . . . . 0.0 105.673 176.126 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -75.79 -27.33 57.96 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 113.035 -1.893 . . . . 0.0 108.502 177.092 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -82.76 -17.2 45.06 Favored 'General case' 0 C--N 1.345 0.411 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 174.261 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -92.22 -24.22 19.1 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 113.47 -1.695 . . . . 0.0 107.734 175.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -89.51 -14.55 34.97 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 113.767 -1.56 . . . . 0.0 107.715 176.731 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.02 -21.93 19.46 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 176.033 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.19 -36.09 23.06 Favored 'General case' 0 N--CA 1.426 -1.648 0 CA-C-N 112.586 -2.097 . . . . 0.0 106.284 176.174 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 12.6 tp -77.82 -27.68 50.1 Favored 'General case' 0 C--O 1.203 -1.353 0 CA-C-N 111.867 -2.424 . . . . 0.0 108.08 176.147 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.32 -19.71 35.7 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 176.507 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -88.83 -33.16 17.48 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 112.591 -2.095 . . . . 0.0 107.984 176.494 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -88.69 -16.75 31.54 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.423 -1.262 . . . . 0.0 110.481 177.263 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mt -57.89 -60.34 3.86 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.23 0.538 . . . . 0.0 112.372 178.756 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -89.95 -42.6 11.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.683 179.251 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.224 0 C-N-CA 124.416 1.086 . . . . 0.0 112.252 -179.859 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 121.139 0.495 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -92.89 -35.13 13.51 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.175 -1.375 . . . . 0.0 107.289 179.29 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.31 -25.22 36.63 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 113.01 -1.904 . . . . 0.0 108.348 177.199 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -89.31 -16.82 30.21 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.42 177.809 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -23.95 23.88 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 177.006 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp -90.32 -31.08 17.07 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 111.986 -2.37 . . . . 0.0 107.042 177.663 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.9 -19.35 37.52 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 113.454 -1.703 . . . . 0.0 107.986 176.232 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -22.22 19.2 Favored 'General case' 0 C--N 1.344 0.341 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 176.113 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -86.55 -22.19 26.47 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 113.007 -1.906 . . . . 0.0 106.405 176.011 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.24 -38.63 18.7 Favored 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 113.068 -1.878 . . . . 0.0 106.659 176.567 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -77.41 -16.83 58.62 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 112.62 -2.082 . . . . 0.0 108.37 176.921 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.9 -31.48 23.67 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 175.088 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -78.07 -33.26 50.92 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 110.75 -2.932 . . . . 0.0 107.918 176.901 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -82.32 -23.68 34.99 Favored 'General case' 0 CA--C 1.489 -1.375 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 177.217 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.24 -17.61 34.27 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 111.729 -2.487 . . . . 0.0 107.061 174.718 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -91.31 -26.35 18.99 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 176.157 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.89 -32.76 20.03 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 176.192 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -79.77 -14.95 58.35 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 113.047 -1.888 . . . . 0.0 109.355 176.052 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.31 -31.77 13.29 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 105.147 -2.168 . . . . 0.0 105.147 175.92 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 tt -76.78 -45.53 28.55 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 112.959 -1.928 . . . . 0.0 107.964 176.132 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.77 -12.71 60.23 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 114.275 -1.329 . . . . 0.0 111.14 178.772 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -26.41 53.22 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.116 0.967 . . . . 0.0 109.633 178.471 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.72 -46.05 16.14 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 113.073 -1.876 . . . . 0.0 108.295 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.33 -23.78 59.1 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 113.591 -1.641 . . . . 0.0 108.068 175.867 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -79.72 -22.43 43.34 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 174.082 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.43 -42.61 9.66 Favored 'General case' 0 N--CA 1.423 -1.807 0 CA-C-N 113.75 -1.568 . . . . 0.0 109.341 175.8 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 113.614 -1.63 . . . . 0.0 113.959 -178.654 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 . . . . . 0 N--CA 1.471 0.608 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.54 -6.43 5.16 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -179.185 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.3 tt -94.19 -64.15 1.11 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.0 1.32 . . . . 0.0 109.036 -179.536 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -60.5 -13.37 13.44 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 114.36 -1.291 . . . . 0.0 111.235 178.413 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -95.55 -38.73 10.29 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.785 1.234 . . . . 0.0 109.139 178.632 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -75.05 -13.64 60.51 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-O 121.954 0.883 . . . . 0.0 109.823 177.201 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 mp -93.24 -44.37 8.36 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-N 113.15 -1.841 . . . . 0.0 106.56 178.245 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.78 -17.91 64.96 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 113.268 -1.787 . . . . 0.0 110.081 176.32 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.6 -27.34 15.96 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 114.476 -1.238 . . . . 0.0 108.519 178.001 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.93 -11.4 50.75 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.924 179.353 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -94.34 -33.05 13.34 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 111.312 -2.676 . . . . 0.0 106.685 178.123 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -27.82 34.24 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 112.621 -2.081 . . . . 0.0 106.868 175.298 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -86.35 -14.5 43.33 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.572 176.319 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.02 -22.65 22.88 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-O 122.123 0.964 . . . . 0.0 110.075 178.463 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.89 -18.63 24.46 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 112.162 -2.29 . . . . 0.0 105.928 178.167 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.68 -24.74 17.03 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 112.203 -2.271 . . . . 0.0 107.34 177.365 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.98 -39.93 17.51 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 175.906 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -70.05 -31.39 68.98 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 113.689 -1.596 . . . . 0.0 108.179 175.869 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -77.48 -26.63 51.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 174.566 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.49 -19.8 30.66 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 125.011 1.444 . . . . 0.0 108.036 176.801 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -86.69 -14.23 43.12 Favored 'General case' 0 C--N 1.345 0.388 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 174.717 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.37 -24.5 18.07 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 112.568 -2.105 . . . . 0.0 106.785 176.258 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -86.03 -29.14 23.68 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 175.573 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.9 tp -80.72 -30.46 36.26 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 111.864 -2.425 . . . . 0.0 107.924 175.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.87 -19.99 36.4 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 176.778 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -86.15 -32.82 21.08 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 112.781 -2.009 . . . . 0.0 107.635 176.129 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -88.19 -16.41 33.38 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.259 -1.337 . . . . 0.0 110.191 176.79 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 55.7 tp -58.36 -59.64 5.03 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.128 178.78 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -89.75 -42.3 11.38 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.737 179.65 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.163 0 C-N-CA 124.458 1.103 . . . . 0.0 112.314 -179.792 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.257 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -96.06 -51.78 4.3 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.507 -178.43 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.98 -32.05 73.03 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 114.017 -1.447 . . . . 0.0 112.15 -178.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -90.43 -12.82 36.3 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.21 0.944 . . . . 0.0 110.175 178.566 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.19 -21.4 23.3 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 175.492 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tt -89.41 -36.39 15.5 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 111.382 -2.645 . . . . 0.0 106.733 177.661 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.04 -20.24 52.8 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 113.189 -1.823 . . . . 0.0 107.983 176.305 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -29.36 18.88 Favored 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 175.933 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -80.1 -21.03 43.75 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 125.536 1.772 . . . . 0.0 106.867 176.766 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.71 -35.16 26.96 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 175.788 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -78.01 -19.98 53.39 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 111.736 -2.484 . . . . 0.0 108.611 176.789 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -91.68 -17.6 25.23 Favored 'General case' 0 CA--C 1.494 -1.174 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 174.703 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -88.89 -22.95 22.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 111.483 -2.598 . . . . 0.0 107.433 175.485 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -90.17 -27.03 19.84 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 176.388 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.25 -17.87 29.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 111.274 -2.694 . . . . 0.0 107.606 175.353 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.95 -23.83 21.45 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 105.817 -1.92 . . . . 0.0 105.817 175.058 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.15 -37.81 25.64 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 112.828 -1.987 . . . . 0.0 107.384 176.27 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.49 -18.7 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 112.383 -2.19 . . . . 0.0 109.06 176.416 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.71 -30.76 18.85 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 104.415 -2.439 . . . . 0.0 104.415 175.687 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 tt -72.98 -42.49 63.25 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 112.819 -1.991 . . . . 0.0 105.977 174.549 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.77 -14.61 61.57 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 113.296 -1.775 . . . . 0.0 110.482 177.44 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.39 -26.83 52.17 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 124.531 1.132 . . . . 0.0 110.212 178.702 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.81 -28.37 33.18 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 125.558 1.543 . . . . 0.0 109.206 179.241 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -84.73 -22.95 29.51 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 111.724 -2.489 . . . . 0.0 106.58 176.911 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -86.24 -33.28 20.76 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 112.444 -2.162 . . . . 0.0 107.935 174.921 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.54 -35.12 65.49 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 174.782 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.448 -0.545 0 CA-C-N 112.096 -2.32 . . . . 0.0 109.688 176.365 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.34 -5.78 2.71 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -179.136 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.8 mt -90.86 -64.19 1.16 Allowed 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 124.183 0.993 . . . . 0.0 109.383 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -59.5 -13.25 8.24 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 114.513 -1.222 . . . . 0.0 110.73 177.188 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -95.41 -36.3 11.4 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.107 1.363 . . . . 0.0 108.706 178.504 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -74.19 -13.3 60.78 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 122.11 0.957 . . . . 0.0 109.273 176.155 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -93.19 -43.62 8.75 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 112.871 -1.968 . . . . 0.0 106.701 178.156 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.94 -18.51 65.39 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 113.069 -1.878 . . . . 0.0 109.855 176.009 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.99 -25.38 16.53 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.048 -1.433 . . . . 0.0 108.206 177.583 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -86.4 -10.83 53.52 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.159 178.55 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -94.37 -29.81 14.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.266 -1.788 . . . . 0.0 106.733 178.383 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -28.12 24.25 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 112.674 -2.057 . . . . 0.0 107.2 175.806 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -91.45 -13.61 31.97 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.449 -1.25 . . . . 0.0 109.797 176.711 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 26.5 tp -76.16 -40.11 53.33 Favored 'General case' 0 C--O 1.204 -1.339 0 C-N-CA 125.423 1.489 . . . . 0.0 111.169 178.904 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -16.55 54.9 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 112.208 -2.269 . . . . 0.0 107.898 178.617 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.18 -28.09 14.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 112.876 -1.965 . . . . 0.0 109.154 178.797 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.65 -38.79 12.87 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.34 -1.3 . . . . 0.0 107.562 178.128 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -71.77 -27.3 62.87 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 114.137 -1.392 . . . . 0.0 108.551 176.235 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -81.18 -19.07 44.14 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 174.012 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -92.72 -25.12 18.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 113.431 -1.713 . . . . 0.0 108.62 177.179 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.08 -15.89 32.86 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 113.963 -1.471 . . . . 0.0 108.165 177.196 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.84 -21.92 19.6 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 105.782 -1.932 . . . . 0.0 105.782 176.242 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.15 -36.49 24.71 Favored 'General case' 0 N--CA 1.428 -1.546 0 CA-C-N 112.87 -1.968 . . . . 0.0 106.368 176.099 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.0 tp -76.73 -29.21 56.09 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 111.928 -2.396 . . . . 0.0 108.014 176.21 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.66 -20.85 35.45 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 106.479 -1.675 . . . . 0.0 106.479 177.272 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -89.09 -33.24 17.18 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 113.105 -1.861 . . . . 0.0 108.059 176.321 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -84.34 -18.29 36.68 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.644 -1.162 . . . . 0.0 109.673 176.69 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -58.27 -60.05 4.36 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.222 178.254 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -92.23 -42.61 9.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.703 179.507 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.189 0 C-N-CA 124.32 1.048 . . . . 0.0 112.142 -179.781 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.277 0 CA-C-O 121.056 0.455 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -95.45 -61.11 1.52 Allowed 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.705 -179.328 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -31.44 66.45 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 113.418 -1.719 . . . . 0.0 112.428 -179.519 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -92.46 -11.93 33.41 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 124.151 0.907 . . . . 0.0 110.395 178.561 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.75 -21.69 22.54 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 175.532 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 tt -88.37 -40.75 13.31 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 111.133 -2.758 . . . . 0.0 106.273 177.947 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.76 -16.64 59.42 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 125.387 1.679 . . . . 0.0 107.92 176.282 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.73 -28.97 22.75 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 104.829 -2.286 . . . . 0.0 104.829 174.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -83.1 -19.84 36.0 Favored 'General case' 0 C--N 1.342 0.239 0 CA-C-N 112.842 -1.981 . . . . 0.0 107.65 177.242 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.33 -21.06 22.21 Favored 'General case' 0 CA--C 1.497 -1.096 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 175.527 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 15.7 t-105 -87.21 -24.2 24.51 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 111.124 -2.762 . . . . 0.0 108.189 176.317 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -92.13 -18.51 23.44 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 175.752 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.29 -23.26 26.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 111.989 -2.369 . . . . 0.0 106.876 175.525 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -34.33 19.6 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-N 112.626 -2.079 . . . . 0.0 106.327 176.831 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.7 -16.47 44.82 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 111.663 -2.517 . . . . 0.0 107.733 175.643 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.35 -24.79 21.88 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 174.73 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.56 -38.28 23.93 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 112.739 -2.028 . . . . 0.0 107.604 176.544 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -80.34 -18.04 50.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 112.376 -2.193 . . . . 0.0 109.292 176.722 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.44 -30.99 19.02 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 175.363 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.96 -43.65 62.04 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 112.566 -2.106 . . . . 0.0 106.107 174.582 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.85 -12.64 60.74 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 113.503 -1.681 . . . . 0.0 110.765 177.208 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.43 -23.66 34.73 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 124.88 1.272 . . . . 0.0 109.531 178.196 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 32.2 tp -78.9 -46.14 19.09 Favored 'General case' 0 C--O 1.215 -0.758 0 C-N-CA 126.059 1.744 . . . . 0.0 108.425 179.45 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -25.8 59.27 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 111.613 -2.54 . . . . 0.0 107.79 175.744 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.07 -21.49 39.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 113.949 -1.478 . . . . 0.0 107.256 174.766 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.9 -40.86 12.13 Favored 'General case' 0 N--CA 1.42 -1.936 0 CA-C-N 113.806 -1.543 . . . . 0.0 108.539 175.549 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 113.089 -1.868 . . . . 0.0 113.313 -179.867 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.468 0.444 0 CA-C-O 120.689 0.281 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.33 -5.89 0.14 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.617 1.167 . . . . 0.0 114.07 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -94.65 -68.77 0.78 Allowed 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 123.955 0.902 . . . . 0.0 109.989 -179.184 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -61.76 -12.29 16.27 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 113.991 -1.459 . . . . 0.0 111.824 178.7 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -95.6 -41.79 8.74 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 124.753 1.221 . . . . 0.0 109.491 179.027 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -75.26 -12.51 60.3 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.899 177.505 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 mp -93.25 -44.53 8.28 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 113.397 -1.728 . . . . 0.0 106.897 178.202 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.88 -18.9 65.65 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 113.246 -1.797 . . . . 0.0 109.932 176.355 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.23 -25.89 17.61 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 114.392 -1.276 . . . . 0.0 108.353 177.777 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -87.37 -12.97 44.75 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.692 178.907 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -94.9 -32.09 13.38 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 126.414 1.885 . . . . 0.0 106.479 178.254 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -30.43 38.1 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 112.527 -2.124 . . . . 0.0 107.124 175.655 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -85.48 -14.17 46.87 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.866 175.905 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 tt -85.07 -36.45 21.18 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 124.966 1.307 . . . . 0.0 109.462 178.888 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.27 -18.67 55.01 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 112.57 -2.105 . . . . 0.0 107.301 176.51 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.81 -18.33 21.31 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 112.601 -2.091 . . . . 0.0 106.741 177.247 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.44 -40.79 14.05 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 112.855 -1.975 . . . . 0.0 105.798 176.294 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -76.68 -27.37 55.53 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 113.121 -1.854 . . . . 0.0 108.782 177.444 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -82.86 -16.99 45.47 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 107.013 -1.476 . . . . 0.0 107.013 174.209 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.5 -23.57 19.06 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 113.45 -1.705 . . . . 0.0 107.737 176.235 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -90.11 -15.71 31.09 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 113.845 -1.525 . . . . 0.0 107.794 176.913 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.99 -21.55 19.7 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 176.281 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.25 -36.24 22.83 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 112.753 -2.022 . . . . 0.0 106.437 176.09 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 12.4 tp -76.63 -29.09 56.32 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-N 111.956 -2.383 . . . . 0.0 108.022 176.177 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.37 -20.04 34.97 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 177.071 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -89.02 -32.96 17.34 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 112.875 -1.966 . . . . 0.0 107.987 176.442 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -86.53 -17.91 32.89 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.134 176.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.59 -60.26 3.94 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.281 178.361 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -91.76 -42.28 10.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.706 179.353 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.13 0 C-N-CA 124.378 1.071 . . . . 0.0 112.257 -179.956 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.332 0 CA-C-O 121.04 0.448 . . . . 0.0 112.139 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.2 tt -95.7 -60.74 1.59 Allowed 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.956 -179.076 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.58 -31.75 69.74 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 113.565 -1.652 . . . . 0.0 112.545 -179.302 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -93.14 -11.77 32.01 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.236 0.96 . . . . 0.0 110.314 179.3 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -24.59 22.71 Favored 'General case' 0 C--O 1.227 -0.101 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 175.599 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -93.76 -20.94 19.64 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 111.961 -2.381 . . . . 0.0 107.285 177.84 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.29 -19.22 23.2 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 175.888 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.67 -28.9 18.05 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 175.866 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -82.64 -18.33 41.48 Favored 'General case' 0 CA--C 1.51 -0.567 0 O-C-N 125.4 1.687 . . . . 0.0 106.932 176.626 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.53 -32.16 24.04 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 105.655 -1.98 . . . . 0.0 105.655 175.114 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 13.8 t-105 -81.12 -23.39 38.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 110.99 -2.823 . . . . 0.0 109.21 177.061 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.83 -23.96 22.69 Favored 'General case' 0 CA--C 1.494 -1.188 0 N-CA-C 105.854 -1.906 . . . . 0.0 105.854 175.827 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 tp -76.38 -38.82 55.21 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 111.777 -2.465 . . . . 0.0 106.81 175.171 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.39 -35.25 70.97 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 112.828 -1.987 . . . . 0.0 107.522 176.612 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.67 -26.09 54.43 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 111.931 -2.395 . . . . 0.0 107.909 176.012 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.23 -36.16 40.45 Favored 'General case' 0 CA--C 1.499 -1.017 0 O-C-N 125.288 1.618 . . . . 0.0 107.797 176.55 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.85 -30.98 62.96 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 111.714 -2.494 . . . . 0.0 106.697 175.018 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.19 -18.6 42.12 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 112.456 -2.156 . . . . 0.0 109.271 175.702 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.8 -40.45 20.4 Favored 'General case' 0 CA--C 1.491 -1.313 0 N-CA-C 104.081 -2.563 . . . . 0.0 104.081 174.344 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 tt -65.24 -43.89 89.92 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 110.735 -2.939 . . . . 0.0 107.058 174.845 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.71 -12.63 60.23 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 113.871 -1.513 . . . . 0.0 110.876 177.586 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.32 -27.29 47.17 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 124.364 1.065 . . . . 0.0 109.236 178.572 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -77.01 -46.4 23.96 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-N 113.773 -1.558 . . . . 0.0 107.884 179.544 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.5 -20.28 63.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 112.316 -2.22 . . . . 0.0 106.995 174.896 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -82.43 -26.11 33.03 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 113.107 -1.86 . . . . 0.0 107.236 173.756 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.67 -38.6 11.24 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 114.182 -1.372 . . . . 0.0 109.266 175.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 9.5 mp . . . . . 0 N--CA 1.472 0.645 0 CA-C-N 113.637 -1.62 . . . . 0.0 113.534 -178.841 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 . . . . . 0 N--CA 1.471 0.596 0 CA-C-O 120.715 0.293 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.36 -6.78 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -179.796 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 37.3 tp -93.43 -68.04 0.82 Allowed 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.562 1.145 . . . . 0.0 108.998 -179.86 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.55 -11.54 4.89 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.84 177.441 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -95.03 -40.13 9.81 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 125.26 1.424 . . . . 0.0 109.137 178.716 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -73.16 -13.22 61.13 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 121.994 0.902 . . . . 0.0 109.635 176.707 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 6.3 mp -93.47 -43.7 8.6 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 113.168 -1.833 . . . . 0.0 106.653 177.989 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.09 -18.02 65.08 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 113.066 -1.879 . . . . 0.0 109.891 176.098 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.77 -24.76 16.95 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 114.292 -1.322 . . . . 0.0 108.169 177.821 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -86.71 -14.4 42.58 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 114.285 -1.325 . . . . 0.0 109.465 178.566 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -95.34 -31.14 13.57 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 126.209 1.804 . . . . 0.0 106.522 178.423 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -30.5 33.85 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 112.727 -2.033 . . . . 0.0 107.187 175.925 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -84.61 -14.05 49.83 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.365 -1.289 . . . . 0.0 109.516 175.997 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 tt -83.88 -38.55 20.98 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 125.07 1.348 . . . . 0.0 109.344 178.778 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.32 -17.64 56.28 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 112.417 -2.174 . . . . 0.0 107.4 176.815 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.21 -23.13 18.01 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 112.652 -2.067 . . . . 0.0 107.62 177.895 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.43 -40.01 16.9 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 176.106 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -73.3 -27.36 61.49 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 113.213 -1.812 . . . . 0.0 108.664 176.59 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -82.59 -17.56 44.37 Favored 'General case' 0 C--N 1.345 0.412 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 173.968 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -92.31 -24.23 19.02 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 113.41 -1.723 . . . . 0.0 107.75 176.251 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -89.43 -14.68 34.88 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 113.775 -1.557 . . . . 0.0 107.738 176.592 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.01 -22.18 19.31 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 176.078 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.16 -36.29 22.98 Favored 'General case' 0 N--CA 1.427 -1.622 0 CA-C-N 112.644 -2.071 . . . . 0.0 106.421 176.282 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 tp -78.06 -27.44 48.63 Favored 'General case' 0 C--O 1.205 -1.254 0 CA-C-N 111.965 -2.379 . . . . 0.0 108.174 176.201 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.96 -20.39 35.3 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 176.513 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -89.26 -31.98 17.61 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 112.762 -2.017 . . . . 0.0 107.896 176.502 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -86.89 -18.72 30.19 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 114.387 -1.279 . . . . 0.0 110.082 176.974 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -57.08 -60.14 4.04 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.546 178.636 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -82.94 -41.61 18.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.497 -1.229 . . . . 0.0 112.144 179.64 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.065 -0.969 . . . . 0.0 111.28 -179.827 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 121.217 0.532 . . . . 0.0 109.694 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -92.7 -37.16 12.54 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.937 -1.483 . . . . 0.0 107.349 179.415 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.75 -24.25 44.88 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 113.11 -1.859 . . . . 0.0 108.373 177.003 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -87.74 -18.13 30.12 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 113.726 -1.579 . . . . 0.0 109.841 176.959 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.46 -21.04 23.18 Favored 'General case' 0 C--O 1.227 -0.128 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 176.798 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tt -88.56 -35.95 16.63 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 111.638 -2.528 . . . . 0.0 106.598 177.267 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.9 -21.09 51.74 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 113.055 -1.884 . . . . 0.0 108.056 176.183 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -28.62 18.97 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 176.262 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -80.97 -20.2 42.41 Favored 'General case' 0 CA--C 1.51 -0.57 0 O-C-N 125.491 1.744 . . . . 0.0 106.81 176.716 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.95 -34.95 26.35 Favored 'General case' 0 N--CA 1.422 -1.87 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 175.735 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 13.8 t-105 -79.43 -20.1 48.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 111.788 -2.46 . . . . 0.0 108.95 176.816 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.72 -19.05 23.98 Favored 'General case' 0 CA--C 1.495 -1.173 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 175.016 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.18 -33.84 24.11 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 111.221 -2.718 . . . . 0.0 106.858 175.6 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -79.98 -26.92 39.73 Favored 'General case' 0 CA--C 1.489 -1.393 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 176.866 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.55 -16.82 38.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 111.689 -2.505 . . . . 0.0 107.243 175.009 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.4 -26.02 20.1 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 175.171 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.66 -29.7 22.3 Favored 'General case' 0 CA--C 1.5 -0.977 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 176.323 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.46 -19.13 36.41 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 112.62 -2.082 . . . . 0.0 109.099 175.963 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.25 -31.09 18.05 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 104.45 -2.426 . . . . 0.0 104.45 175.894 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.36 -46.56 48.42 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 112.648 -2.069 . . . . 0.0 105.801 174.451 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.02 -12.68 60.58 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 113.92 -1.491 . . . . 0.0 110.199 177.172 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.89 -29.93 23.28 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 124.587 1.155 . . . . 0.0 109.074 178.089 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -30.92 31.07 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 126.122 1.769 . . . . 0.0 109.432 179.798 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.69 -22.63 37.31 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 112.802 -1.999 . . . . 0.0 106.036 176.076 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -83.62 -35.92 24.27 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 111.979 -2.373 . . . . 0.0 108.067 174.865 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.24 -34.43 65.86 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 175.101 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.367 0 CA-C-N 112.183 -2.28 . . . . 0.0 109.467 176.421 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.67 -11.33 34.4 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.884 0.874 . . . . 0.0 112.984 -179.893 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.1 tt -96.26 -65.27 0.98 Allowed 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 124.763 1.225 . . . . 0.0 109.778 -179.419 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -56.56 -15.79 4.95 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 114.241 -1.345 . . . . 0.0 112.334 179.458 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -95.18 -37.26 11.12 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.368 1.067 . . . . 0.0 108.501 178.227 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -78.45 -12.21 60.0 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 114.858 -1.064 . . . . 0.0 109.403 176.778 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 tt -93.14 -45.09 8.04 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 126.821 2.048 . . . . 0.0 106.51 178.896 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.24 -17.86 64.98 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 113.428 -1.715 . . . . 0.0 109.997 176.172 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.76 -25.8 17.26 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.5 -1.227 . . . . 0.0 108.398 177.726 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.02 -13.19 48.22 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.366 -1.288 . . . . 0.0 109.513 178.747 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -95.2 -30.86 13.79 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 126.191 1.797 . . . . 0.0 106.57 178.156 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -82.04 -31.84 30.75 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 112.593 -2.094 . . . . 0.0 107.25 176.003 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -83.81 -13.97 52.49 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.762 176.035 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tt -83.24 -39.41 20.94 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 125.044 1.338 . . . . 0.0 109.674 178.986 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.67 -17.48 57.65 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 112.555 -2.111 . . . . 0.0 107.478 177.034 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.43 -24.21 17.43 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 112.627 -2.079 . . . . 0.0 107.896 178.115 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.88 -39.74 17.89 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 176.321 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -72.56 -28.84 63.07 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 113.334 -1.757 . . . . 0.0 108.575 176.467 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -81.96 -17.43 47.03 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 173.948 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.41 -22.97 19.34 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 113.672 -1.604 . . . . 0.0 107.843 176.361 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -89.73 -15.89 31.51 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 113.854 -1.521 . . . . 0.0 107.711 176.718 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.94 -21.51 19.76 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 176.36 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.2 -35.97 23.12 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 112.84 -1.982 . . . . 0.0 106.356 175.945 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 14.6 tp -75.69 -30.41 59.34 Favored 'General case' 0 C--O 1.206 -1.216 0 CA-C-N 111.858 -2.428 . . . . 0.0 108.001 175.998 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.07 -20.06 35.66 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.321 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -88.16 -31.01 19.37 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 112.93 -1.941 . . . . 0.0 107.564 176.061 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -86.99 -18.73 29.97 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.264 -1.334 . . . . 0.0 109.845 176.792 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.6 -60.47 3.29 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.088 178.68 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -86.5 -43.06 13.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.844 179.515 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.248 0 C-N-CA 124.34 1.056 . . . . 0.0 112.281 -179.948 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.369 0 CA-C-O 121.409 0.623 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tt -90.76 -47.21 7.77 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 113.775 -1.557 . . . . 0.0 106.944 179.573 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.79 -24.01 64.35 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 113.145 -1.843 . . . . 0.0 108.766 176.084 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -84.53 -27.8 27.11 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.996 177.825 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -21.63 34.59 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 178.371 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -93.09 -17.46 23.78 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 112.0 -2.364 . . . . 0.0 106.405 176.974 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.66 -22.98 20.9 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 113.452 -1.704 . . . . 0.0 107.116 175.49 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -87.3 -33.53 19.19 Favored 'General case' 0 CA--C 1.493 -1.227 0 CA-C-N 113.42 -1.718 . . . . 0.0 106.592 175.907 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -78.18 -21.6 49.9 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 111.03 -2.805 . . . . 0.0 107.834 176.126 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.31 -33.36 23.94 Favored 'General case' 0 N--CA 1.435 -1.197 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 175.527 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 -79.15 -22.37 45.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 111.328 -2.669 . . . . 0.0 108.435 176.705 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.92 -31.31 22.22 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 176.554 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 tt -73.24 -40.21 64.84 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 111.195 -2.73 . . . . 0.0 106.459 176.052 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -34.09 75.54 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 113.192 -1.822 . . . . 0.0 107.262 175.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.36 -17.98 50.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 111.73 -2.486 . . . . 0.0 108.011 175.516 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -90.19 -25.47 20.62 Favored 'General case' 0 C--N 1.349 0.587 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 175.891 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.44 -28.66 23.38 Favored 'General case' 0 CA--C 1.5 -0.968 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 175.962 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.31 -19.48 33.68 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 112.298 -2.228 . . . . 0.0 108.845 175.961 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.54 -31.38 19.93 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 104.449 -2.426 . . . . 0.0 104.449 175.752 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 tt -73.33 -41.09 63.91 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 112.626 -2.079 . . . . 0.0 106.056 174.819 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.02 -13.56 60.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 113.479 -1.691 . . . . 0.0 110.256 176.859 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -31.46 24.96 Favored 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 124.469 1.107 . . . . 0.0 109.824 178.574 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -80.72 -26.96 37.06 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 126.031 1.732 . . . . 0.0 108.254 179.408 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.32 -33.12 43.46 Favored 'General case' 0 N--CA 1.426 -1.625 0 CA-C-N 110.593 -3.003 . . . . 0.0 106.835 176.626 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -79.02 -35.13 43.2 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 111.624 -2.535 . . . . 0.0 108.59 175.68 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.84 -33.03 63.96 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 175.405 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-N 112.224 -2.262 . . . . 0.0 109.194 176.248 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.539 0.537 0 CA-C-O 120.546 0.212 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.08 -6.75 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -179.277 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 tt -94.5 -64.96 1.02 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.921 0.888 . . . . 0.0 109.023 179.544 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.1 -11.44 48.91 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.245 -1.343 . . . . 0.0 111.344 178.228 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -95.31 -40.94 9.28 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.726 1.21 . . . . 0.0 109.141 179.17 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -75.68 -12.37 60.18 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.442 176.893 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.99 -40.29 10.64 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 113.332 -1.758 . . . . 0.0 107.497 178.315 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.21 -18.43 63.17 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 112.643 -2.071 . . . . 0.0 109.515 176.196 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.46 -24.14 17.43 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 114.177 -1.374 . . . . 0.0 108.046 177.584 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.8 -14.66 41.57 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 114.242 -1.345 . . . . 0.0 109.586 178.477 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -95.24 -30.17 14.13 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 126.118 1.767 . . . . 0.0 106.596 178.392 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -30.24 28.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 112.614 -2.084 . . . . 0.0 107.327 176.03 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -85.26 -13.95 48.22 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.613 176.046 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 8.9 tp -81.35 -38.79 26.11 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.203 1.401 . . . . 0.0 110.423 179.012 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.78 -17.7 50.04 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 110.792 -2.913 . . . . 0.0 107.39 177.825 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.27 -24.46 17.44 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 112.743 -2.026 . . . . 0.0 107.365 177.989 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.26 -40.6 17.83 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 175.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -71.86 -29.18 64.1 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 113.454 -1.703 . . . . 0.0 108.246 176.376 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -77.88 -27.37 49.68 Favored 'General case' 0 C--N 1.344 0.357 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 174.393 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.33 -20.15 28.76 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 125.1 1.5 . . . . 0.0 108.146 177.149 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -87.24 -13.5 43.64 Favored 'General case' 0 C--N 1.344 0.333 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 174.903 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.02 -24.85 18.2 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 112.682 -2.054 . . . . 0.0 106.491 176.138 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -85.25 -30.71 23.59 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 175.703 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 tp -80.27 -29.23 38.3 Favored 'General case' 0 C--O 1.203 -1.359 0 CA-C-N 111.972 -2.376 . . . . 0.0 108.111 176.124 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.52 -20.35 36.87 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 176.748 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.01 -32.29 17.67 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 112.927 -1.942 . . . . 0.0 107.999 176.529 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -87.95 -16.85 32.69 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.177 176.924 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.12 -59.98 4.45 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.281 0.562 . . . . 0.0 112.515 178.796 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -83.92 -41.88 16.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.13 179.603 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.361 -179.851 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.443 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tt -93.46 -47.15 6.99 Favored 'General case' 0 CA--C 1.508 -0.657 0 C-N-CA 125.39 1.476 . . . . 0.0 108.819 -178.055 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.69 -29.33 64.58 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 114.153 -1.385 . . . . 0.0 110.462 177.934 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -90.09 -15.7 31.16 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 124.678 1.236 . . . . 0.0 110.68 177.27 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -83.86 -33.25 24.88 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 123.634 1.683 . . . . 0.0 106.763 175.94 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -80.61 -32.09 36.48 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 109.406 -3.543 . . . . 0.0 107.954 177.132 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.28 -17.58 42.1 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 176.298 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.3 -28.93 21.97 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 104.948 -2.242 . . . . 0.0 104.948 175.008 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -83.11 -20.32 35.07 Favored 'General case' 0 C--N 1.345 0.4 0 O-C-N 125.703 1.877 . . . . 0.0 107.294 176.818 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -85.05 -29.34 25.01 Favored 'General case' 0 CA--C 1.493 -1.231 0 N-CA-C 104.758 -2.312 . . . . 0.0 104.758 174.931 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -81.92 -20.65 38.29 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 111.568 -2.56 . . . . 0.0 108.832 176.469 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.18 -19.06 24.66 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 174.887 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -83.8 -34.36 24.75 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 111.296 -2.684 . . . . 0.0 106.874 175.5 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -79.97 -27.44 39.71 Favored 'General case' 0 CA--C 1.489 -1.397 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 176.986 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.79 -16.27 39.34 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 111.633 -2.531 . . . . 0.0 107.316 175.334 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.12 -26.12 20.37 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 106.819 -1.549 . . . . 0.0 106.819 175.097 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.33 -29.9 21.23 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 113.752 -1.567 . . . . 0.0 106.793 176.446 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.68 -19.88 34.52 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 112.635 -2.075 . . . . 0.0 109.115 176.214 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -32.41 19.03 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 104.644 -2.354 . . . . 0.0 104.644 175.714 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 tt -71.9 -41.5 67.89 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 112.674 -2.057 . . . . 0.0 106.145 174.798 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.73 -13.55 60.62 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 113.321 -1.763 . . . . 0.0 110.8 176.963 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.35 -24.27 25.88 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 124.627 1.171 . . . . 0.0 110.431 179.002 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.46 -28.69 21.92 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 125.471 1.508 . . . . 0.0 107.986 179.364 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.61 -37.18 31.63 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 110.44 -3.073 . . . . 0.0 107.828 177.909 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -80.75 -25.23 38.13 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 113.003 -1.908 . . . . 0.0 108.058 174.927 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.01 -35.28 72.0 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 105.142 -2.17 . . . . 0.0 105.142 174.174 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.443 -0.824 0 CA-C-N 110.868 -2.878 . . . . 0.0 111.93 177.202 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 . . . . . 0 N--CA 1.469 0.524 0 CA-C-O 120.89 0.376 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.75 -6.66 42.55 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.17 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.7 tt -95.78 -69.69 0.74 Allowed 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 123.991 0.916 . . . . 0.0 111.122 -177.965 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.21 -12.95 14.83 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.257 -179.572 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -96.41 -42.73 7.97 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.405 1.082 . . . . 0.0 109.564 179.26 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -77.05 -12.06 59.89 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 124.055 0.847 . . . . 0.0 110.485 178.391 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -92.63 -44.32 8.64 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-N 113.695 -1.593 . . . . 0.0 106.999 178.093 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.39 -17.05 64.14 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 113.088 -1.869 . . . . 0.0 110.112 176.491 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -95.22 -25.96 16.16 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.621 -1.172 . . . . 0.0 107.969 177.258 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 53.4 tp -74.9 -41.24 60.12 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.225 1.41 . . . . 0.0 110.483 178.886 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -73.25 -32.68 64.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 112.607 -2.088 . . . . 0.0 108.261 177.51 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -75.74 -30.68 59.3 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 113.352 -1.749 . . . . 0.0 106.341 175.285 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -85.41 -14.64 45.63 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 113.56 -1.655 . . . . 0.0 110.196 175.684 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -90.05 -16.91 28.77 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 124.133 0.973 . . . . 0.0 110.138 179.018 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.6 -20.99 18.52 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 178.573 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.95 -20.92 18.98 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 111.838 -2.437 . . . . 0.0 107.374 178.256 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.62 -37.2 14.81 Favored 'General case' 0 C--N 1.346 0.42 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 176.437 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -75.03 -31.89 61.44 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 113.394 -1.73 . . . . 0.0 108.406 176.835 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -77.16 -25.68 52.19 Favored 'General case' 0 C--N 1.344 0.339 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 174.672 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -85.69 -21.72 28.19 Favored 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 125.088 1.493 . . . . 0.0 108.369 177.116 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -85.78 -14.0 46.49 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 175.066 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.24 -25.02 17.97 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 112.618 -2.083 . . . . 0.0 106.605 176.339 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -85.37 -30.64 23.47 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 175.792 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 13.5 tp -79.11 -30.49 43.78 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-N 112.065 -2.334 . . . . 0.0 108.195 176.031 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.7 -20.16 36.64 Favored 'General case' 0 CA--C 1.508 -0.641 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 176.893 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -89.04 -32.71 17.45 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 112.825 -1.989 . . . . 0.0 108.002 176.614 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -86.87 -17.02 34.32 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.082 176.804 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mt -58.51 -59.98 4.51 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.423 178.665 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -84.41 -41.94 16.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.651 -1.159 . . . . 0.0 112.16 179.757 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.066 -0.969 . . . . 0.0 111.315 -179.788 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.27 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 tt -95.48 -62.55 1.28 Allowed 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.127 -178.985 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -31.67 67.78 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 113.515 -1.675 . . . . 0.0 112.338 -179.619 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -91.7 -11.87 35.65 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 124.083 0.864 . . . . 0.0 110.292 178.598 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.91 -21.24 23.71 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 175.287 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tt -89.55 -36.82 15.12 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 111.277 -2.692 . . . . 0.0 106.552 177.791 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.96 -18.86 53.04 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 113.17 -1.832 . . . . 0.0 107.751 176.197 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -28.61 18.9 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 175.883 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -81.94 -18.2 44.4 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 125.56 1.788 . . . . 0.0 107.162 176.772 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.41 -31.34 22.95 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 175.42 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 11.0 t-105 -82.17 -22.54 35.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 110.938 -2.846 . . . . 0.0 109.297 176.724 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.89 -19.34 22.59 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 175.967 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 tt -80.31 -39.24 29.1 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 111.567 -2.56 . . . . 0.0 105.624 175.09 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -34.62 68.54 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 112.641 -2.072 . . . . 0.0 107.998 176.184 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.52 -18.67 44.23 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 112.226 -2.261 . . . . 0.0 108.395 175.816 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 tp -82.25 -38.46 24.42 Favored 'General case' 0 CA--C 1.493 -1.231 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 175.859 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.02 -44.32 63.6 Favored 'General case' 0 C--O 1.204 -1.322 0 CA-C-N 111.64 -2.527 . . . . 0.0 106.0 174.661 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -68.66 -11.29 59.95 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 113.881 -1.509 . . . . 0.0 108.783 176.58 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.15 -34.89 10.97 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 174.544 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 mp -91.43 -55.06 3.65 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 113.463 -1.698 . . . . 0.0 111.893 179.057 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.25 -12.83 57.82 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -176.608 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.22 -23.89 17.7 Favored 'General case' 0 C--O 1.21 -1.001 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.288 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.46 -38.51 74.46 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 126.289 1.835 . . . . 0.0 108.287 177.583 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.97 -25.41 59.92 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 112.437 -2.165 . . . . 0.0 107.252 176.166 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -83.86 -33.57 24.8 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 112.5 -2.136 . . . . 0.0 108.268 175.71 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.14 -33.08 61.5 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 175.369 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 N--CA 1.451 -0.414 0 CA-C-N 112.325 -2.216 . . . . 0.0 109.376 176.462 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 . . . . . 0 N--CA 1.468 0.455 0 CA-C-O 120.787 0.327 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.64 -8.0 0.08 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -179.456 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 tt -94.62 -61.24 1.54 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.441 1.097 . . . . 0.0 108.77 179.544 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.03 -12.71 28.15 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 114.267 -1.333 . . . . 0.0 110.502 177.645 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -95.15 -35.94 11.68 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.134 1.374 . . . . 0.0 108.711 178.581 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -74.89 -14.28 60.64 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-O 122.121 0.963 . . . . 0.0 109.206 176.513 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -93.44 -43.17 8.88 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 112.869 -1.969 . . . . 0.0 106.464 177.827 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.02 -19.1 65.83 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 113.037 -1.892 . . . . 0.0 109.689 176.091 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.34 -26.0 16.75 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 114.224 -1.353 . . . . 0.0 108.31 177.952 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -86.86 -10.66 52.89 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.536 178.741 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -94.91 -30.43 14.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 112.942 -1.935 . . . . 0.0 105.916 178.254 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -31.67 27.38 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 112.35 -2.204 . . . . 0.0 106.979 175.899 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -81.5 -13.81 57.7 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.272 -1.331 . . . . 0.0 109.129 175.753 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 13.7 tp -82.87 -32.42 27.42 Favored 'General case' 0 C--N 1.346 0.414 0 C-N-CA 125.166 1.387 . . . . 0.0 110.484 178.565 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.27 -18.43 39.12 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 127.241 2.217 . . . . 0.0 106.689 177.484 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.46 -19.4 20.6 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 112.294 -2.23 . . . . 0.0 106.4 177.046 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.48 -39.28 15.32 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 112.711 -2.04 . . . . 0.0 105.621 175.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -75.77 -27.41 58.04 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 113.106 -1.861 . . . . 0.0 108.473 176.762 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -82.15 -17.2 47.19 Favored 'General case' 0 C--N 1.347 0.472 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.023 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -91.44 -24.49 19.69 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 113.471 -1.695 . . . . 0.0 107.627 176.051 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -89.15 -15.53 33.59 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 113.573 -1.649 . . . . 0.0 107.722 176.625 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.95 -21.62 19.69 Favored 'General case' 0 CA--C 1.509 -0.635 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 176.208 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.83 -35.78 23.98 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 112.697 -2.047 . . . . 0.0 106.232 175.974 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 tp -76.97 -29.05 55.36 Favored 'General case' 0 C--O 1.207 -1.18 0 CA-C-N 111.849 -2.432 . . . . 0.0 107.974 175.967 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.58 -20.39 36.6 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 176.9 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -89.11 -32.43 17.52 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 112.855 -1.975 . . . . 0.0 107.834 176.339 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -84.76 -20.0 31.76 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.723 176.856 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.89 -59.94 4.31 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.13 178.266 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -90.25 -42.33 11.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.623 179.452 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.214 0 C-N-CA 124.348 1.059 . . . . 0.0 112.213 -179.932 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.28 0 CA-C-O 121.067 0.46 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -92.57 -34.58 13.97 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.168 -1.378 . . . . 0.0 107.33 179.176 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.57 -24.04 34.16 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 113.015 -1.902 . . . . 0.0 108.302 177.115 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -89.07 -17.29 29.6 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.874 177.65 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -24.72 22.61 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 176.979 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.44 -19.1 21.59 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 112.302 -2.226 . . . . 0.0 107.226 177.252 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.05 -21.3 21.31 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 175.913 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.59 -29.76 17.62 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 113.067 -1.878 . . . . 0.0 106.122 176.169 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -81.93 -19.11 41.42 Favored 'General case' 0 CA--C 1.509 -0.609 0 O-C-N 125.33 1.644 . . . . 0.0 106.825 176.649 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.5 -34.94 27.79 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 105.397 -2.075 . . . . 0.0 105.397 175.041 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 12.8 t-105 -79.25 -19.93 49.43 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 111.767 -2.47 . . . . 0.0 108.905 176.916 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.64 -19.04 24.1 Favored 'General case' 0 CA--C 1.495 -1.159 0 N-CA-C 105.468 -2.049 . . . . 0.0 105.468 174.84 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.59 -33.2 23.42 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 111.317 -2.674 . . . . 0.0 106.943 175.643 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -80.88 -27.1 36.44 Favored 'General case' 0 CA--C 1.487 -1.463 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 176.772 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.39 -17.52 39.08 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 111.72 -2.491 . . . . 0.0 107.027 174.891 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.01 -27.89 19.45 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 175.174 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.32 -29.04 28.62 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 176.185 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.6 -19.5 35.4 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 112.29 -2.232 . . . . 0.0 109.078 175.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -31.64 19.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 104.352 -2.462 . . . . 0.0 104.352 175.765 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.24 -44.62 62.61 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 112.739 -2.028 . . . . 0.0 106.373 174.406 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.85 -13.58 62.09 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 112.529 -2.123 . . . . 0.0 110.686 177.036 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.21 -27.89 32.3 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 124.514 1.126 . . . . 0.0 109.138 178.425 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 tt -78.73 -41.26 31.32 Favored 'General case' 0 CA--C 1.516 -0.327 0 C-N-CA 126.494 1.918 . . . . 0.0 108.377 179.75 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -74.32 -22.25 59.34 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 112.549 -2.114 . . . . 0.0 107.011 175.653 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -83.28 -35.5 25.24 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 112.831 -1.986 . . . . 0.0 107.911 174.477 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.39 -35.6 71.11 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 174.928 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.51 -0.566 0 CA-C-N 112.106 -2.316 . . . . 0.0 109.878 176.437 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 CA--C 1.538 0.495 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.25 -15.75 14.41 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.9 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.5 mt -97.05 -69.9 0.74 Allowed 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.335 0.654 . . . . 0.0 111.847 -178.698 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -61.41 -12.73 15.59 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.16 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -95.98 -41.9 8.54 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.301 1.04 . . . . 0.0 109.674 178.998 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -75.89 -12.69 60.2 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.931 177.752 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.53 -45.71 7.63 Favored 'General case' 0 CA--C 1.497 -1.067 0 C-N-CA 125.956 1.703 . . . . 0.0 106.861 178.399 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.29 -16.71 63.85 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 113.619 -1.628 . . . . 0.0 110.097 176.495 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.82 -27.05 15.95 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.554 177.604 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -88.33 -12.99 41.86 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.908 179.315 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -94.95 -32.23 13.28 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 126.205 1.802 . . . . 0.0 106.708 178.507 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -30.39 36.16 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 112.658 -2.064 . . . . 0.0 107.277 175.859 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -88.29 -14.47 38.24 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.906 176.675 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.04 -29.07 22.21 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 124.43 1.092 . . . . 0.0 110.98 179.641 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -18.69 31.06 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 112.959 -1.928 . . . . 0.0 106.553 177.795 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.59 -21.52 18.19 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 112.656 -2.066 . . . . 0.0 108.118 177.941 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.79 -42.52 10.06 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 177.003 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -72.73 -27.41 62.03 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.044 -1.435 . . . . 0.0 109.637 176.81 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -79.99 -18.99 48.85 Favored 'General case' 0 C--N 1.345 0.378 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 174.036 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -93.24 -25.93 17.58 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 113.457 -1.701 . . . . 0.0 108.855 177.016 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -88.42 -16.36 33.06 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 114.341 -1.299 . . . . 0.0 108.576 177.744 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.94 -21.22 19.93 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 176.048 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.03 -37.16 22.49 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-N 112.913 -1.949 . . . . 0.0 106.645 176.212 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 6.8 tp -78.24 -28.11 47.77 Favored 'General case' 0 C--O 1.204 -1.306 0 CA-C-N 111.963 -2.381 . . . . 0.0 108.32 176.586 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.45 -20.44 34.06 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 177.314 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.1 -31.66 17.91 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 112.97 -1.923 . . . . 0.0 107.938 176.218 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -87.01 -19.44 28.68 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.222 177.007 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mt -59.45 -60.61 3.58 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.453 178.731 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -43.06 9.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.851 179.462 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.18 0 C-N-CA 124.379 1.071 . . . . 0.0 112.204 -179.913 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 21.8 ptt? . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 120.805 0.336 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -119.03 0.36 11.28 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 122.984 0.514 . . . . 0.0 110.985 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.09 -42.14 10.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.843 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 tt -95.63 -61.15 1.51 Allowed 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.03 -1.441 . . . . 0.0 109.555 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -31.14 66.77 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 113.455 -1.702 . . . . 0.0 112.489 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -92.4 -12.35 32.45 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 124.224 0.953 . . . . 0.0 110.342 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.88 -21.77 22.36 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 175.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tt -90.41 -35.72 15.0 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 111.376 -2.647 . . . . 0.0 106.926 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.5 -20.33 51.04 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 113.337 -1.756 . . . . 0.0 107.814 176.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.38 -29.14 19.3 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 176.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -81.03 -20.15 42.3 Favored 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 125.522 1.764 . . . . 0.0 106.997 176.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.89 -34.72 26.62 Favored 'General case' 0 N--CA 1.421 -1.888 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 175.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -79.16 -19.27 51.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 111.724 -2.489 . . . . 0.0 108.764 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.65 -19.04 24.09 Favored 'General case' 0 CA--C 1.495 -1.144 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.08 -32.38 22.86 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 111.177 -2.738 . . . . 0.0 106.984 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -82.69 -26.23 32.24 Favored 'General case' 0 CA--C 1.49 -1.36 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.36 -16.25 40.51 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 111.773 -2.467 . . . . 0.0 107.003 174.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.06 -26.77 21.22 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.42 -30.14 22.32 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 113.579 -1.646 . . . . 0.0 106.618 176.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.2 -18.66 38.51 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 112.573 -2.103 . . . . 0.0 108.856 175.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.48 -31.14 20.14 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 104.402 -2.444 . . . . 0.0 104.402 175.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tt -73.79 -42.41 61.03 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 112.563 -2.108 . . . . 0.0 106.149 174.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.12 -13.2 60.79 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 113.409 -1.723 . . . . 0.0 110.484 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.87 -27.07 44.02 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.607 1.163 . . . . 0.0 109.373 178.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 tt -76.56 -45.89 28.58 Favored 'General case' 0 C--O 1.212 -0.888 0 C-N-CA 126.039 1.736 . . . . 0.0 106.952 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.93 -21.35 62.37 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 112.992 -1.913 . . . . 0.0 107.351 174.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -78.27 -25.6 46.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 113.651 -1.613 . . . . 0.0 106.647 173.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.58 -36.31 12.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 113.916 -1.493 . . . . 0.0 108.954 175.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.58 -55.25 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 113.778 -1.555 . . . . 0.0 113.936 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.77 -44.08 13.65 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -176.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.23 -4.87 31.99 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -85.67 -42.49 14.24 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.263 0.225 . . . . 0.0 111.273 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -113.05 128.63 56.55 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.416 0.448 . . . . 0.0 110.767 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 84.9 m -128.62 -51.69 1.26 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.197 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 tp -148.91 -42.47 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 O-C-N 123.275 0.36 . . . . 0.0 111.178 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 82.7 m -133.18 152.02 51.95 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.307 0.379 . . . . 0.0 111.078 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -100.04 141.82 32.35 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 pp -108.48 157.53 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.274 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -94.84 123.03 38.06 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -132.8 153.29 51.4 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.595 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.4 m -97.01 126.8 42.4 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 40.2 p -129.64 151.46 50.22 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.074 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -96.47 -39.61 9.49 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.266 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -97.26 150.07 21.34 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.449 0.468 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.52 113.37 63.32 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.263 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -67.64 163.36 35.4 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.536 2.157 . . . . 0.0 112.736 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 16.1 mt -101.51 -65.07 1.0 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 41.53 92.64 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.715 1.206 . . . . 0.0 112.767 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 71.5 p -142.06 -158.96 0.91 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.114 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -97.62 -39.17 9.23 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.001 0.52 . . . . 0.0 110.485 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -76.82 -7.89 56.3 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.075 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.1 -24.28 11.63 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.825 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.35 -70.01 0.74 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.735 0.814 . . . . 0.0 111.832 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -61.47 -15.46 37.85 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 113.683 -1.599 . . . . 0.0 112.235 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -95.45 -38.13 10.6 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 124.392 1.077 . . . . 0.0 109.925 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -74.52 -12.78 60.56 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 122.013 0.911 . . . . 0.0 109.534 176.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.79 -43.34 8.66 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-N 113.032 -1.895 . . . . 0.0 106.666 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.15 -15.95 63.53 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 113.038 -1.892 . . . . 0.0 110.273 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.35 -26.78 15.76 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.665 1.186 . . . . 0.0 107.919 177.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.5 -45.1 32.36 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 113.791 -1.549 . . . . 0.0 109.198 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.56 -30.9 69.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 113.26 -1.791 . . . . 0.0 108.005 176.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -76.56 -28.53 56.31 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -76.5 -28.65 56.52 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 113.526 -1.67 . . . . 0.0 108.995 175.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mp -69.56 -49.57 53.05 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-O 123.166 1.46 . . . . 0.0 108.864 176.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.89 -25.95 0.88 Allowed 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 113.499 -1.682 . . . . 0.0 108.504 176.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.69 -37.76 8.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 112.154 -2.294 . . . . 0.0 112.241 176.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.68 -47.07 11.6 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 124.138 0.975 . . . . 0.0 109.74 -177.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -67.08 -31.23 71.58 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.071 176.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -81.26 -15.93 54.12 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 174.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.12 -23.73 19.34 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 114.254 -1.339 . . . . 0.0 107.524 175.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -88.91 -16.64 31.37 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 113.651 -1.613 . . . . 0.0 107.806 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.16 -22.06 19.29 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 176.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.6 -36.12 24.16 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-N 113.021 -1.899 . . . . 0.0 106.409 176.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 11.6 tp -76.42 -29.8 57.18 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 111.849 -2.432 . . . . 0.0 108.171 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.14 -19.95 35.69 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 177.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -87.99 -31.63 19.25 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 112.939 -1.937 . . . . 0.0 107.359 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -85.66 -16.52 38.85 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.43 -1.259 . . . . 0.0 109.649 176.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.92 -60.05 3.99 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.137 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -83.65 -44.4 14.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.617 -1.174 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.284 -179.763 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.13 0.491 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -119.19 -2.68 10.66 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.576 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.05 -44.7 8.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.304 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -96.37 -51.67 4.28 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.37 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -31.65 72.74 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 113.84 -1.527 . . . . 0.0 112.206 -178.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -93.0 -11.33 33.42 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.323 1.014 . . . . 0.0 110.071 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.11 -24.55 22.22 Favored 'General case' 0 C--O 1.227 -0.081 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 175.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -93.75 -20.17 20.37 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 112.037 -2.347 . . . . 0.0 107.157 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.07 -19.92 22.63 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 106.576 -1.638 . . . . 0.0 106.576 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.75 -29.49 18.67 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 113.061 -1.881 . . . . 0.0 106.008 175.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -81.81 -19.56 40.91 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 125.534 1.771 . . . . 0.0 106.798 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.66 -34.09 27.57 Favored 'General case' 0 N--CA 1.422 -1.847 0 N-CA-C 105.17 -2.159 . . . . 0.0 105.17 175.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -79.38 -18.93 51.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 111.601 -2.545 . . . . 0.0 108.729 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.05 -19.48 24.32 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.94 -31.82 23.4 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 111.09 -2.777 . . . . 0.0 107.016 175.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -82.89 -25.89 32.05 Favored 'General case' 0 CA--C 1.489 -1.389 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 176.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.73 -17.16 39.22 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 111.827 -2.442 . . . . 0.0 106.907 174.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -88.4 -27.42 21.59 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 174.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.65 -31.1 24.36 Favored 'General case' 0 CA--C 1.498 -1.039 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 176.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.55 -17.32 48.83 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 112.508 -2.133 . . . . 0.0 108.97 175.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.23 -29.42 20.46 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 104.465 -2.42 . . . . 0.0 104.465 175.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 tt -78.11 -40.55 37.95 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 112.416 -2.175 . . . . 0.0 106.715 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.52 -12.46 59.96 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 113.262 -1.79 . . . . 0.0 110.224 177.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -30.3 69.21 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 124.534 1.134 . . . . 0.0 109.342 178.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mp -71.96 -52.18 18.41 Favored 'General case' 0 C--O 1.2 -1.551 0 CA-C-N 113.746 -1.57 . . . . 0.0 107.762 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.96 -18.9 65.66 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 113.136 -1.847 . . . . 0.0 108.02 175.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -84.26 -26.89 28.29 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 113.11 -1.859 . . . . 0.0 107.301 173.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.82 -38.59 10.68 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.151 -1.386 . . . . 0.0 109.19 175.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.47 -52.33 6.6 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 113.645 -1.616 . . . . 0.0 113.239 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.23 -43.43 12.97 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 -177.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.68 -42.33 34.93 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -91.35 -35.15 14.58 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.051 0.219 . . . . 0.0 111.388 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 64.27 129.8 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.922 0.889 . . . . 0.0 112.345 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 79.0 m -132.63 150.9 52.09 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.619 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.5 pp -127.57 -49.97 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.972 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 57.6 m -136.32 -44.76 0.62 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.182 0.301 . . . . 0.0 111.539 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -97.19 138.83 34.08 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.315 0.384 . . . . 0.0 111.185 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 pp -140.76 111.33 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.195 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -133.26 117.54 17.5 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.709 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -138.73 -43.35 0.48 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.2 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 49.4 t -119.46 -37.97 3.08 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 123.421 0.451 . . . . 0.0 111.331 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 50.9 m -92.38 155.53 17.83 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.388 0.43 . . . . 0.0 111.179 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -126.09 -38.82 2.13 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.891 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 63.9 mtt -105.5 -52.3 2.85 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.247 0.342 . . . . 0.0 111.845 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.12 103.55 12.78 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.89 154.06 33.51 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.581 2.187 . . . . 0.0 112.507 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 15.9 mt -95.55 -14.63 23.45 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.605 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -106.39 128.26 53.9 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.682 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 61.0 p -106.44 -119.77 0.24 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.294 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -97.66 -45.86 6.22 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.371 0.268 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -92.31 -9.84 40.52 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.13 -6.99 7.5 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 10.1 mt -95.11 -68.52 0.8 Allowed 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 124.263 1.025 . . . . 0.0 110.394 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -56.77 -14.86 3.73 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.915 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -95.66 -40.16 9.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 124.618 1.167 . . . . 0.0 109.294 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -75.82 -12.53 60.19 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 122.03 0.919 . . . . 0.0 109.709 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.29 -43.98 8.54 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 113.084 -1.871 . . . . 0.0 106.922 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.99 -16.33 64.0 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 113.298 -1.774 . . . . 0.0 109.967 176.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.09 -25.82 16.29 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 177.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 61.6 tp -77.56 -40.04 43.76 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 113.812 -1.54 . . . . 0.0 110.091 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -73.05 -31.24 64.29 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 111.851 -2.431 . . . . 0.0 108.047 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -78.92 -31.64 45.32 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 113.208 -1.815 . . . . 0.0 106.508 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -82.0 -14.72 55.58 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 113.764 -1.562 . . . . 0.0 109.606 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 tp -82.86 -33.69 26.99 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 124.877 1.271 . . . . 0.0 110.708 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -18.52 40.02 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 112.374 -2.194 . . . . 0.0 106.731 177.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.6 -20.34 19.68 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 112.36 -2.2 . . . . 0.0 106.555 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.98 -40.82 15.44 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 112.923 -1.944 . . . . 0.0 105.987 175.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -74.84 -29.49 61.06 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 113.384 -1.734 . . . . 0.0 108.235 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -78.29 -26.17 46.93 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 174.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.95 -20.14 29.39 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 125.132 1.52 . . . . 0.0 107.944 176.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -87.27 -13.97 42.26 Favored 'General case' 0 C--N 1.343 0.323 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.16 -25.05 18.02 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 112.619 -2.082 . . . . 0.0 106.74 176.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -85.57 -29.42 24.15 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.1 tp -80.77 -29.85 36.13 Favored 'General case' 0 C--O 1.206 -1.221 0 CA-C-N 111.875 -2.42 . . . . 0.0 107.903 176.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.3 -20.28 37.77 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -89.08 -31.4 18.05 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 112.887 -1.961 . . . . 0.0 107.985 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -87.61 -19.13 28.2 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.972 176.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mt -56.88 -60.23 3.88 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.428 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -88.87 -42.37 11.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.539 -1.21 . . . . 0.0 111.607 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.236 0 C-N-CA 124.302 1.041 . . . . 0.0 112.334 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.144 0.497 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -122.88 0.67 9.23 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.108 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.83 -44.82 8.73 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.831 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 tt -95.48 -57.45 2.39 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 125.175 1.39 . . . . 0.0 109.541 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -31.89 66.61 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 113.508 -1.678 . . . . 0.0 112.282 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -93.04 -11.56 32.76 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 124.282 0.989 . . . . 0.0 109.987 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.97 -23.56 21.5 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 175.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -93.65 -21.07 19.61 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 111.824 -2.443 . . . . 0.0 107.145 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.09 -18.68 24.14 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 175.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -28.75 17.32 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 175.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -82.53 -17.67 44.18 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 125.526 1.766 . . . . 0.0 106.988 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.75 -31.35 26.03 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 174.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -82.47 -23.03 34.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 110.629 -2.987 . . . . 0.0 109.201 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -90.45 -20.31 22.9 Favored 'General case' 0 CA--C 1.494 -1.184 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 175.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 tp -79.4 -37.3 37.55 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 111.631 -2.531 . . . . 0.0 106.578 175.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -34.05 66.18 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 112.681 -2.054 . . . . 0.0 106.996 176.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.79 -15.7 53.37 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 111.709 -2.496 . . . . 0.0 107.718 175.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -88.67 -25.92 22.12 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 174.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.26 -30.07 22.62 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 113.471 -1.695 . . . . 0.0 106.66 176.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.41 -18.46 35.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 112.375 -2.193 . . . . 0.0 108.811 176.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.49 -30.97 20.23 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 104.408 -2.442 . . . . 0.0 104.408 175.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 tt -73.33 -41.79 63.07 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 112.589 -2.096 . . . . 0.0 106.065 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.65 -13.58 60.65 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 113.377 -1.738 . . . . 0.0 110.439 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.96 -27.33 43.49 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.437 1.095 . . . . 0.0 109.57 178.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.74 -35.23 60.27 Favored 'General case' 0 CA--C 1.498 -1.024 0 C-N-CA 125.756 1.623 . . . . 0.0 108.62 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -82.59 -20.23 36.86 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 111.645 -2.525 . . . . 0.0 106.56 175.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -81.69 -24.41 36.24 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 113.163 -1.835 . . . . 0.0 106.763 173.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.17 -35.82 12.95 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.034 -1.439 . . . . 0.0 108.516 175.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.71 -55.4 4.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 113.584 -1.643 . . . . 0.0 113.588 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.26 -44.48 12.11 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -176.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.48 -4.69 31.9 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 -75.8 -42.13 50.91 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.366 0.266 . . . . 0.0 111.684 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -119.66 134.64 55.15 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.421 0.451 . . . . 0.0 110.215 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 81.7 m -98.0 -57.77 2.14 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.482 0.489 . . . . 0.0 111.134 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -150.29 -57.37 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 O-C-N 123.221 0.326 . . . . 0.0 111.515 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 25.0 p -142.91 -21.19 0.65 Allowed 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.303 0.377 . . . . 0.0 111.856 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -86.74 139.22 30.95 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.239 0.337 . . . . 0.0 111.506 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 tp -124.01 -35.0 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 64.76 153.92 0.06 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.083 0.953 . . . . 0.0 112.209 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 65.0 152.43 0.05 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.121 0.968 . . . . 0.0 112.209 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 82.3 m -92.88 153.83 18.58 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.164 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 89.7 p 53.24 109.14 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.373 1.069 . . . . 0.0 112.619 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -121.11 -37.24 2.98 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.274 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 67.5 mtt 65.29 150.12 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.926 0.891 . . . . 0.0 112.075 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.66 109.95 44.23 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.303 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.38 161.7 36.83 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 122.585 2.19 . . . . 0.0 112.899 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 19.0 mt -90.61 -11.89 38.58 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.875 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -93.64 96.6 9.93 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.704 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 53.0 p -148.98 -67.22 0.22 Allowed 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.426 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -98.7 -70.11 0.74 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -87.26 -8.91 56.26 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.82 -19.16 13.51 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tt -96.7 -69.4 0.76 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.926 0.89 . . . . 0.0 110.894 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -60.29 -14.38 17.83 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 114.727 -1.124 . . . . 0.0 112.162 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -95.49 -39.01 10.19 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.387 1.075 . . . . 0.0 109.558 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -75.35 -12.69 60.32 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 122.0 0.905 . . . . 0.0 109.459 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 mp -93.29 -43.87 8.59 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 113.043 -1.89 . . . . 0.0 106.678 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.06 -19.29 65.92 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 113.1 -1.864 . . . . 0.0 109.845 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.08 -25.75 17.04 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.31 -1.314 . . . . 0.0 108.368 177.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -86.68 -11.39 51.39 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.424 -1.262 . . . . 0.0 109.464 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -95.16 -32.28 13.14 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 112.974 -1.921 . . . . 0.0 106.16 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -29.87 34.28 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 112.844 -1.98 . . . . 0.0 107.115 175.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -83.66 -13.52 53.99 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 114.251 -1.34 . . . . 0.0 109.254 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 tt -80.0 -38.0 33.03 Favored 'General case' 0 C--O 1.216 -0.69 0 C-N-CA 124.938 1.295 . . . . 0.0 109.919 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -71.59 -26.27 62.53 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 112.856 -1.974 . . . . 0.0 107.963 175.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.0 -21.72 24.67 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 110.049 -3.251 . . . . 0.0 108.024 178.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.84 -38.84 17.69 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 105.696 -1.964 . . . . 0.0 105.696 176.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -74.94 -30.07 61.13 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 112.819 -1.991 . . . . 0.0 108.393 177.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -77.86 -25.58 48.77 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -86.16 -21.89 27.31 Favored 'General case' 0 C--N 1.347 0.482 0 CA-C-N 113.766 -1.561 . . . . 0.0 108.104 176.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -86.3 -13.66 45.96 Favored 'General case' 0 C--N 1.34 0.184 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 175.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.02 -24.11 18.45 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 112.746 -2.024 . . . . 0.0 106.383 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -85.06 -30.39 24.14 Favored 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 tp -80.84 -29.02 35.92 Favored 'General case' 0 C--O 1.207 -1.144 0 CA-C-N 111.712 -2.495 . . . . 0.0 108.031 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.52 -20.24 37.12 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 176.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -88.86 -32.81 17.6 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 112.814 -1.994 . . . . 0.0 107.991 176.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 58.9 mttt -87.35 -16.54 34.73 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.538 -1.21 . . . . 0.0 110.13 176.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.83 -59.84 4.44 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.462 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -83.04 -41.23 18.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.592 -1.185 . . . . 0.0 112.095 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.324 -179.903 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 120.657 0.265 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -113.8 -2.48 13.66 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.027 0.531 . . . . 0.0 111.11 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.18 -40.29 11.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.116 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 tt -95.78 -62.09 1.35 Allowed 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.301 -1.318 . . . . 0.0 109.938 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -32.13 68.82 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 113.448 -1.706 . . . . 0.0 112.615 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -93.83 -11.41 31.26 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 124.153 0.908 . . . . 0.0 110.638 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -22.83 22.66 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 175.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -92.06 -30.93 15.76 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 111.584 -2.553 . . . . 0.0 106.874 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.52 -17.28 39.47 Favored 'General case' 0 CA--C 1.509 -0.615 0 O-C-N 125.04 1.463 . . . . 0.0 107.149 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -28.65 23.21 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 174.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.17 -18.93 35.07 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 112.921 -1.945 . . . . 0.0 107.542 176.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.28 -22.41 23.92 Favored 'General case' 0 CA--C 1.495 -1.149 0 N-CA-C 105.096 -2.187 . . . . 0.0 105.096 174.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -86.77 -25.02 24.87 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 110.954 -2.839 . . . . 0.0 108.683 176.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.65 -19.99 23.02 Favored 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -81.43 -33.89 31.84 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 111.772 -2.467 . . . . 0.0 106.568 175.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.81 -35.06 60.16 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 126.454 1.902 . . . . 0.0 106.623 177.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.14 -23.64 51.68 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-N 111.473 -2.603 . . . . 0.0 107.101 175.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.99 -22.94 28.92 Favored 'General case' 0 C--O 1.213 -0.844 0 O-C-N 124.987 1.429 . . . . 0.0 107.209 176.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -89.14 -19.55 25.36 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 174.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -14.03 35.28 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 112.18 -2.282 . . . . 0.0 108.343 174.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -97.38 -42.81 7.58 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.94 -51.38 8.12 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 111.781 -2.463 . . . . 0.0 113.076 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.57 -12.21 32.37 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -28.52 17.58 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 118.346 0.521 . . . . 0.0 109.836 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tt -75.36 -35.82 61.06 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 126.411 1.885 . . . . 0.0 107.608 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.41 -33.98 71.99 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 111.552 -2.567 . . . . 0.0 107.222 175.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -77.24 -34.43 55.86 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 111.84 -2.436 . . . . 0.0 108.734 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.4 -34.28 67.77 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 175.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.81 -48.8 62.67 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 112.178 -2.283 . . . . 0.0 109.779 176.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -39.45 89.35 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 113.445 -1.707 . . . . 0.0 111.986 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.95 -17.29 61.5 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.67 -1.15 . . . . 0.0 112.55 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -94.13 -47.82 6.49 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 123.288 0.368 . . . . 0.0 110.682 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 66.15 -66.18 0.17 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.36 1.064 . . . . 0.0 112.19 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 49.6 t -135.49 153.75 51.64 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 122.412 0.285 . . . . 0.0 110.883 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 pp -95.81 130.49 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.359 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 83.7 m -132.48 151.98 51.7 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.841 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -96.98 109.67 22.37 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.3 pp -149.59 -44.48 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.379 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -130.35 130.35 44.31 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.362 0.414 . . . . 0.0 110.584 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -126.99 128.31 46.17 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.972 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.0 m -130.41 -45.44 1.1 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.062 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 48.0 m -133.47 129.37 37.14 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.839 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -131.38 -41.19 1.1 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.612 0.57 . . . . 0.0 111.345 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.5 -1.27 51.04 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 123.392 0.433 . . . . 0.0 111.657 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.66 -46.82 0.48 Allowed Pre-proline 0 CA--C 1.545 0.78 0 CA-C-O 118.692 -0.671 . . . . 0.0 112.585 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -77.98 152.18 28.02 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.294 1.996 . . . . 0.0 112.822 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -122.74 -37.07 2.8 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.574 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -89.9 100.67 13.44 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.284 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 51.6 m -149.65 -59.88 0.21 Allowed 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.013 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -98.13 -70.64 0.72 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.115 0.784 . . . . 0.0 113.115 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -92.75 -45.51 8.0 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.04 -6.54 0.25 Allowed 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.8 mt -94.64 -68.39 0.8 Allowed 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.026 0.93 . . . . 0.0 109.864 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -59.83 -12.25 7.08 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 114.436 -1.256 . . . . 0.0 111.603 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -95.6 -41.3 8.99 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.689 1.196 . . . . 0.0 109.274 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -75.16 -12.63 60.34 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.865 0.841 . . . . 0.0 109.834 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -93.33 -44.17 8.43 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 113.291 -1.777 . . . . 0.0 106.812 178.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.57 -19.26 65.85 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 113.132 -1.849 . . . . 0.0 109.902 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.38 -25.99 17.45 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.352 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -86.16 -11.0 53.72 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.515 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -94.61 -29.43 14.86 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 113.279 -1.782 . . . . 0.0 106.623 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -29.21 23.88 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 112.427 -2.169 . . . . 0.0 107.223 175.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -89.0 -13.98 37.59 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 114.402 -1.272 . . . . 0.0 110.723 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 11.6 tp -82.53 -30.81 29.51 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 124.771 1.228 . . . . 0.0 111.396 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.43 -18.84 34.66 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 126.762 2.025 . . . . 0.0 106.686 177.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.34 -17.46 21.6 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 112.161 -2.291 . . . . 0.0 106.688 177.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.47 -43.05 9.93 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 176.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -74.43 -27.1 60.46 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 113.74 -1.573 . . . . 0.0 109.313 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -80.42 -19.35 46.4 Favored 'General case' 0 C--N 1.344 0.339 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 174.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -93.5 -26.08 17.32 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 113.479 -1.691 . . . . 0.0 109.072 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -88.41 -15.75 34.67 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 114.429 -1.259 . . . . 0.0 108.758 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.94 -21.12 19.99 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 175.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -36.95 21.42 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 112.747 -2.024 . . . . 0.0 106.75 176.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 8.7 tp -77.65 -28.57 51.32 Favored 'General case' 0 C--O 1.204 -1.324 0 CA-C-N 112.015 -2.357 . . . . 0.0 108.325 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.0 -21.48 33.88 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 106.576 -1.638 . . . . 0.0 106.576 177.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.5 -31.72 21.16 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 112.731 -2.031 . . . . 0.0 107.744 176.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -88.21 -16.36 33.49 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.115 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 61.6 tp -61.35 -59.7 4.87 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.371 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -88.11 -42.44 12.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.112 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.066 -0.969 . . . . 0.0 111.176 -179.701 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 111.271 0.1 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -82.68 -1.26 50.71 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 123.354 0.662 . . . . 0.0 111.678 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.41 -16.18 26.25 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.9 1.28 . . . . 0.0 109.551 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tt -92.09 -46.95 7.51 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 113.739 -1.573 . . . . 0.0 106.88 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.08 -25.93 65.58 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 112.983 -1.917 . . . . 0.0 108.982 176.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -89.45 -16.32 31.11 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 113.907 -1.497 . . . . 0.0 110.423 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -22.75 23.31 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -90.75 -31.13 16.66 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 111.867 -2.424 . . . . 0.0 106.946 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.93 -19.66 36.82 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 113.28 -1.782 . . . . 0.0 107.872 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.71 -22.41 19.42 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 176.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -86.09 -21.5 27.64 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 113.015 -1.902 . . . . 0.0 106.621 175.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.36 -34.9 21.7 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 113.241 -1.8 . . . . 0.0 106.849 176.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 7.4 t-105 -79.22 -19.84 49.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 111.519 -2.582 . . . . 0.0 107.949 176.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.46 -32.35 20.87 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 175.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.94 -31.54 64.67 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 111.529 -2.578 . . . . 0.0 106.968 176.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -32.89 39.45 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 112.997 -1.91 . . . . 0.0 107.656 177.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.08 -18.32 47.0 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 111.976 -2.374 . . . . 0.0 108.238 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.86 -38.31 19.63 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 176.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.96 -43.89 61.75 Favored 'General case' 0 C--O 1.204 -1.291 0 CA-C-N 111.813 -2.449 . . . . 0.0 106.086 174.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -65.97 -12.56 55.83 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.057 -1.428 . . . . 0.0 108.394 176.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.71 -35.08 10.68 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 174.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.72 -53.31 4.47 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 113.409 -1.723 . . . . 0.0 111.959 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.63 -13.39 56.58 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.17 -21.67 18.93 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.38 -35.45 73.52 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 126.329 1.852 . . . . 0.0 107.627 176.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.95 -23.98 52.38 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 112.003 -2.362 . . . . 0.0 107.207 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -83.98 -35.08 24.2 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 112.593 -2.094 . . . . 0.0 107.807 175.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.43 -33.09 62.87 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 106.098 -1.816 . . . . 0.0 106.098 175.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.69 -45.44 65.01 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 112.499 -2.137 . . . . 0.0 109.134 176.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.06 -38.69 92.18 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 114.781 -1.1 . . . . 0.0 111.759 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.8 -4.86 45.7 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.352 -1.295 . . . . 0.0 112.663 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 18.2 t-105 -83.04 -15.49 50.82 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.494 0.317 . . . . 0.0 111.539 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -97.32 -33.58 11.38 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.338 0.399 . . . . 0.0 111.321 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 48.9 t -92.78 159.38 15.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.019 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.0 mp 68.61 142.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 123.705 0.802 . . . . 0.0 110.796 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 84.6 m -93.21 -42.35 9.41 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.637 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -101.31 114.3 28.15 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 123.33 0.394 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 pp -147.41 134.41 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.172 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -109.32 124.04 50.29 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -133.95 -46.81 0.79 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.077 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 35.3 t -134.06 153.42 51.81 Favored 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.405 0.441 . . . . 0.0 110.813 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 16.0 t -97.32 -43.5 7.29 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.353 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -98.97 151.84 20.45 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.33 0.393 . . . . 0.0 111.021 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.23 115.91 28.17 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.146 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.32 158.05 64.79 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.25 -71.4 0.04 OUTLIER 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.522 2.148 . . . . 0.0 113.074 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 5.9 mt 65.08 -14.83 0.1 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.605 1.162 . . . . 0.0 113.743 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 55.64 149.03 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.536 1.534 . . . . 0.0 113.755 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 7.7 t -124.61 -17.62 5.91 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.474 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -97.87 -47.87 5.39 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -92.49 -8.44 44.58 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.076 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.31 -20.75 13.03 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -178.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tt -97.49 -69.61 0.75 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.246 0.618 . . . . 0.0 111.477 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -62.08 -14.56 37.54 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 114.58 -1.191 . . . . 0.0 112.39 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -95.77 -40.36 9.39 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.402 1.081 . . . . 0.0 109.707 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -75.53 -12.49 60.24 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-O 121.81 0.814 . . . . 0.0 109.812 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -93.23 -44.56 8.27 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 113.325 -1.762 . . . . 0.0 106.765 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.68 -18.59 65.44 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 113.368 -1.742 . . . . 0.0 110.044 176.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.66 -25.31 17.54 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 114.439 -1.255 . . . . 0.0 108.225 177.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -87.26 -14.06 42.03 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.12 -1.4 . . . . 0.0 109.668 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -94.98 -32.6 13.1 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 126.329 1.852 . . . . 0.0 106.482 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -29.73 42.17 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 112.547 -2.115 . . . . 0.0 107.033 175.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -85.65 -14.49 45.37 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.064 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.09 -17.21 28.13 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 124.557 1.143 . . . . 0.0 109.644 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.23 -19.89 18.97 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 126.233 1.813 . . . . 0.0 106.175 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.28 -27.87 15.27 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 112.115 -2.311 . . . . 0.0 108.33 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.67 -41.97 12.99 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -66.12 -30.58 71.1 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.374 175.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -77.09 -27.83 54.3 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 174.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.92 -20.14 29.45 Favored 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 125.015 1.447 . . . . 0.0 108.266 177.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -86.63 -13.7 44.86 Favored 'General case' 0 C--N 1.346 0.427 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 174.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.11 -24.75 18.17 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 112.674 -2.057 . . . . 0.0 106.538 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -85.71 -29.84 23.61 Favored 'General case' 0 CA--C 1.497 -1.079 0 N-CA-C 106.206 -1.776 . . . . 0.0 106.206 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.7 tp -80.86 -29.27 35.82 Favored 'General case' 0 C--O 1.205 -1.277 0 CA-C-N 111.948 -2.387 . . . . 0.0 108.01 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.77 -20.41 35.93 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 176.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -89.21 -31.38 17.94 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 112.796 -2.002 . . . . 0.0 107.988 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -87.95 -18.84 28.21 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.105 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -56.51 -59.95 4.24 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.46 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -81.78 -41.36 21.27 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.461 -1.245 . . . . 0.0 112.113 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.285 -179.873 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 111.352 0.13 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -80.04 -2.05 42.51 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.559 0.744 . . . . 0.0 111.855 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.08 -18.32 23.75 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.992 1.317 . . . . 0.0 109.62 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -92.5 -36.71 12.92 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 113.796 -1.547 . . . . 0.0 107.552 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.26 -23.61 47.23 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 113.2 -1.818 . . . . 0.0 108.024 176.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -88.53 -17.71 29.67 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 113.329 -1.76 . . . . 0.0 109.579 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.08 -24.08 22.37 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 106.514 -1.662 . . . . 0.0 106.514 177.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.55 -18.67 21.99 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 112.333 -2.212 . . . . 0.0 107.013 177.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.06 -20.99 21.46 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.61 -29.77 17.59 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 112.976 -1.92 . . . . 0.0 106.092 176.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -82.47 -18.68 40.84 Favored 'General case' 0 CA--C 1.508 -0.658 0 O-C-N 125.398 1.686 . . . . 0.0 106.807 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.23 -34.19 28.97 Favored 'General case' 0 N--CA 1.423 -1.785 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 174.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -79.52 -19.64 49.11 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 111.485 -2.598 . . . . 0.0 108.814 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.53 -18.87 24.51 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 174.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.92 -32.22 23.22 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-N 111.233 -2.712 . . . . 0.0 106.939 175.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -82.2 -26.59 33.2 Favored 'General case' 0 CA--C 1.49 -1.363 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.83 -16.89 39.84 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 111.753 -2.476 . . . . 0.0 106.973 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.53 -26.47 20.86 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.56 -29.95 23.75 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 106.444 -1.687 . . . . 0.0 106.444 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.61 -19.01 39.21 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 112.447 -2.16 . . . . 0.0 108.944 175.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.14 -30.12 20.05 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 104.475 -2.417 . . . . 0.0 104.475 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 tt -75.06 -42.99 55.86 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 112.599 -2.091 . . . . 0.0 105.979 174.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.16 -12.88 61.38 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 113.518 -1.674 . . . . 0.0 110.343 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.66 -27.88 40.83 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 124.518 1.127 . . . . 0.0 109.234 178.144 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.69 -32.32 46.97 Favored 'General case' 0 CA--C 1.5 -0.949 0 C-N-CA 125.756 1.623 . . . . 0.0 109.183 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -84.36 -18.9 34.65 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 111.587 -2.551 . . . . 0.0 106.351 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -85.05 -26.19 27.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 112.738 -2.028 . . . . 0.0 107.188 173.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.08 -31.55 17.09 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 114.461 -1.245 . . . . 0.0 107.799 175.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.37 -54.94 4.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 113.344 -1.753 . . . . 0.0 113.007 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.04 -46.26 8.61 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -176.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.39 -4.96 24.95 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -90.95 -29.08 17.64 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.245 0.218 . . . . 0.0 111.32 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -85.94 2.77 44.84 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.427 0.454 . . . . 0.0 111.898 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 49.6 t -90.74 153.72 20.06 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.986 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 tp -92.22 132.18 37.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.013 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 83.7 m -130.01 151.0 51.04 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -98.65 -35.51 10.16 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.679 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 tp -90.07 -39.82 12.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 O-C-N 123.345 0.403 . . . . 0.0 111.584 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -104.34 146.11 29.28 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.312 0.383 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -133.17 -47.65 0.84 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.206 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 82.4 m -133.95 149.18 51.25 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 51.7 m -124.15 -42.68 2.12 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -114.17 155.5 25.97 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.453 0.47 . . . . 0.0 110.534 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -93.47 -47.98 6.6 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.353 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.26 89.78 26.98 Favored Pre-proline 0 CA--C 1.544 0.725 0 O-C-N 123.319 0.387 . . . . 0.0 111.046 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.5 151.83 29.41 Favored 'Trans proline' 0 C--N 1.372 1.797 0 C-N-CA 122.701 2.267 . . . . 0.0 112.644 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 25.6 mt -117.63 -17.78 9.86 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.768 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -80.48 119.2 22.84 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.473 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 23.2 t -139.8 -116.04 0.14 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.43 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -98.22 -47.81 5.32 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.551 0.34 . . . . 0.0 111.201 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -87.39 -8.91 56.04 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.829 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.3 -7.08 20.26 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.1 tt -95.41 -68.57 0.79 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.184 0.994 . . . . 0.0 110.271 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -59.57 -12.98 7.55 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.586 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -95.83 -40.01 9.54 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.743 1.217 . . . . 0.0 109.48 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -75.5 -12.77 60.3 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 122.041 0.924 . . . . 0.0 109.804 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -93.44 -44.16 8.39 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 113.143 -1.844 . . . . 0.0 106.802 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.79 -16.66 64.22 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 113.204 -1.816 . . . . 0.0 110.026 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.76 -26.41 16.27 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.573 -1.194 . . . . 0.0 108.084 177.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -81.38 -28.49 34.38 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 114.139 -1.392 . . . . 0.0 109.661 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -82.88 -29.84 29.02 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 126.158 1.783 . . . . 0.0 106.837 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -27.81 45.3 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 112.717 -2.038 . . . . 0.0 105.905 174.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -77.2 -28.51 53.93 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 113.54 -1.664 . . . . 0.0 109.181 175.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -44.82 89.85 Favored 'General case' 0 C--O 1.203 -1.391 0 CA-C-O 123.524 1.63 . . . . 0.0 109.414 176.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -21.28 63.99 Favored 'General case' 0 C--N 1.29 -2.003 0 CA-C-N 112.668 -2.06 . . . . 0.0 107.896 176.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.65 -38.3 8.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 113.082 -1.872 . . . . 0.0 112.247 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.83 -40.88 14.5 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.078 0.951 . . . . 0.0 110.285 -176.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -76.18 -24.35 54.74 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 114.296 -1.32 . . . . 0.0 107.771 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -83.93 -18.07 38.59 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 173.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -90.15 -23.95 21.2 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 113.622 -1.626 . . . . 0.0 107.665 175.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -89.5 -16.15 31.4 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 113.697 -1.592 . . . . 0.0 107.672 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.04 -21.57 19.65 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.52 -35.8 24.55 Favored 'General case' 0 N--CA 1.428 -1.54 0 CA-C-N 112.97 -1.923 . . . . 0.0 106.353 175.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.4 tp -76.65 -29.45 56.41 Favored 'General case' 0 C--O 1.208 -1.094 0 CA-C-N 111.758 -2.474 . . . . 0.0 108.036 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.39 -19.76 35.45 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 177.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -88.09 -32.62 18.62 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 112.893 -1.958 . . . . 0.0 107.58 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -86.32 -15.97 38.93 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.623 176.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 39.7 tp -57.12 -59.36 5.2 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.02 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -84.11 -41.28 17.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.757 -1.11 . . . . 0.0 112.009 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.278 -179.832 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 120.998 0.427 . . . . 0.0 111.435 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.1 -3.25 12.08 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.146 0.578 . . . . 0.0 111.586 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.77 -42.64 10.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.113 -177.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -95.72 -61.14 1.51 Allowed 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.248 -1.342 . . . . 0.0 109.822 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -31.88 67.26 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 113.62 -1.627 . . . . 0.0 112.435 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -92.19 -11.87 34.33 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.096 0.872 . . . . 0.0 110.305 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.42 -20.86 23.42 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 175.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -89.9 -36.72 14.88 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 111.241 -2.709 . . . . 0.0 106.545 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.81 -19.53 51.91 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 113.139 -1.846 . . . . 0.0 107.794 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.87 -28.84 18.97 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 175.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -80.24 -21.23 43.03 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 125.407 1.692 . . . . 0.0 106.761 176.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.6 -35.25 27.25 Favored 'General case' 0 N--CA 1.42 -1.929 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 175.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -78.87 -18.83 53.28 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 111.717 -2.492 . . . . 0.0 108.724 176.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -92.53 -16.47 25.69 Favored 'General case' 0 CA--C 1.495 -1.159 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 174.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -88.9 -24.46 22.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 111.368 -2.651 . . . . 0.0 106.957 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -91.28 -29.24 17.28 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 113.37 -1.741 . . . . 0.0 106.52 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.83 -19.03 31.27 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 111.99 -2.368 . . . . 0.0 107.982 175.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tt -86.0 -34.69 20.74 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 175.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.62 -39.04 70.72 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 112.363 -2.198 . . . . 0.0 107.772 175.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -78.86 -17.26 55.92 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 112.558 -2.11 . . . . 0.0 109.276 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.38 -31.78 19.93 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 175.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.13 -44.09 55.06 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 112.545 -2.116 . . . . 0.0 106.589 174.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.21 -13.38 61.9 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 112.692 -2.049 . . . . 0.0 110.555 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.02 -26.11 36.66 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.766 1.227 . . . . 0.0 109.281 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 tt -80.92 -44.62 17.98 Favored 'General case' 0 C--O 1.209 -1.053 0 C-N-CA 126.09 1.756 . . . . 0.0 107.077 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.65 -24.07 63.57 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 125.398 1.686 . . . . 0.0 106.736 174.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -72.6 -26.78 61.82 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 113.505 -1.679 . . . . 0.0 106.544 173.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.28 -41.05 9.24 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 113.667 -1.606 . . . . 0.0 109.593 175.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.0 -55.36 4.43 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 113.97 -1.468 . . . . 0.0 114.093 -178.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -40.65 68.0 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -177.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.45 -4.76 38.58 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.561 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -84.04 -11.97 55.9 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.408 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 74.1 134.39 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.49 1.116 . . . . 0.0 111.591 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 82.6 m -91.92 -177.17 4.65 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.333 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 pt 45.25 98.85 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 124.789 1.235 . . . . 0.0 113.495 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 93.5 m -132.47 147.18 52.36 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.607 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -99.59 -39.22 8.41 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.759 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 pt -94.11 -47.78 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 63.03 126.97 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.826 0.85 . . . . 0.0 112.134 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -134.43 127.77 32.19 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.845 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 24.9 p -131.83 127.36 36.44 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.883 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 15.8 t -131.19 128.17 39.44 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -132.6 127.54 35.21 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.62 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 65.9 mtt -132.82 -42.3 0.91 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.371 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.24 -46.15 0.08 OUTLIER Pre-proline 0 CA--C 1.543 0.707 0 CA-C-O 118.674 -0.679 . . . . 0.0 112.616 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -76.89 151.89 31.66 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 122.238 1.959 . . . . 0.0 113.028 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 33.7 mt -108.54 -11.2 15.16 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.773 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -75.33 112.98 12.19 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.66 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 60.4 m -136.58 -111.03 0.19 Allowed 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.166 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -98.25 -49.44 4.7 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.608 0.242 . . . . 0.0 111.476 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -85.1 -8.1 58.8 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.011 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.01 -7.64 16.1 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -96.56 -69.15 0.77 Allowed 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.156 0.582 . . . . 0.0 112.168 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.06 -13.2 59.59 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.047 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -95.34 -37.44 10.97 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.358 1.063 . . . . 0.0 109.22 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 mmtt -76.21 -12.75 60.15 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 121.883 0.849 . . . . 0.0 109.132 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 9.1 tp -93.1 -40.27 10.6 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 113.203 -1.817 . . . . 0.0 106.787 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.78 -17.68 63.43 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 113.854 -1.521 . . . . 0.0 109.556 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.9 -25.2 16.67 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 114.096 -1.411 . . . . 0.0 108.266 177.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -87.11 -12.29 47.55 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.334 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -94.74 -32.59 13.26 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 126.045 1.738 . . . . 0.0 106.821 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -26.65 31.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 112.866 -1.97 . . . . 0.0 107.503 176.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -92.38 -13.9 29.45 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.006 176.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 6.7 tp -81.06 -40.77 23.66 Favored 'General case' 0 C--O 1.208 -1.091 0 C-N-CA 125.14 1.376 . . . . 0.0 111.418 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -17.02 55.12 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 111.691 -2.504 . . . . 0.0 107.779 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.29 -25.23 16.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 112.685 -2.052 . . . . 0.0 107.923 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.15 -42.09 12.57 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 113.729 -1.578 . . . . 0.0 106.99 177.251 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -71.06 -29.13 64.94 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 113.776 -1.557 . . . . 0.0 108.837 177.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.9 -28.09 55.2 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 174.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -86.22 -22.42 26.92 Favored 'General case' 0 CA--C 1.513 -0.449 0 O-C-N 125.119 1.512 . . . . 0.0 108.536 177.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -86.72 -13.62 44.84 Favored 'General case' 0 C--N 1.341 0.212 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.97 -24.96 18.21 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 112.87 -1.968 . . . . 0.0 106.557 176.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -85.9 -29.28 23.78 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 175.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.6 tp -80.82 -31.0 35.74 Favored 'General case' 0 C--O 1.208 -1.13 0 CA-C-N 111.849 -2.432 . . . . 0.0 107.949 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.68 -20.35 36.32 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 177.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -87.39 -31.78 19.92 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 113.058 -1.883 . . . . 0.0 107.55 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -86.18 -16.43 37.83 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.609 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 49.2 tp -58.73 -59.37 5.52 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.077 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -87.0 -41.87 13.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.806 -1.088 . . . . 0.0 112.076 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.283 -179.66 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 61.7 mtt . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 120.869 0.366 . . . . 0.0 111.493 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -115.87 -3.24 12.2 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 123.111 0.564 . . . . 0.0 111.51 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.16 -41.48 10.43 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.209 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tt -95.69 -61.01 1.53 Allowed 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.768 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -32.25 68.31 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 113.521 -1.672 . . . . 0.0 112.565 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -93.75 -11.46 31.34 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.254 0.971 . . . . 0.0 110.627 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.72 -23.12 23.03 Favored 'General case' 0 C--O 1.228 -0.077 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 175.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tp -91.77 -31.26 15.83 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 111.852 -2.431 . . . . 0.0 107.171 177.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.85 -19.6 40.69 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 113.7 -1.591 . . . . 0.0 107.556 176.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -29.82 17.45 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 176.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -82.05 -17.6 46.11 Favored 'General case' 0 CA--C 1.511 -0.55 0 O-C-N 125.415 1.697 . . . . 0.0 107.241 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.56 -31.83 24.15 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 175.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 14.2 t-105 -80.96 -24.0 38.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 110.901 -2.863 . . . . 0.0 109.012 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -91.88 -18.99 22.97 Favored 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -81.86 -33.34 30.65 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 111.675 -2.511 . . . . 0.0 106.277 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.2 -34.06 56.19 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-N 112.815 -1.993 . . . . 0.0 106.793 177.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.94 -15.55 53.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 111.698 -2.501 . . . . 0.0 107.508 175.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.39 -25.83 21.35 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 174.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.55 -30.3 22.0 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 113.575 -1.648 . . . . 0.0 106.794 176.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.17 -19.4 34.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 112.404 -2.18 . . . . 0.0 108.959 176.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.71 -31.4 19.72 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 104.459 -2.423 . . . . 0.0 104.459 175.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.15 -43.78 64.12 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 112.64 -2.073 . . . . 0.0 106.006 174.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.44 -16.02 62.37 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 113.568 -1.651 . . . . 0.0 110.529 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.47 -27.5 41.57 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 124.503 1.121 . . . . 0.0 109.552 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -76.06 -42.67 46.78 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 125.999 1.72 . . . . 0.0 108.182 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.09 -22.87 61.29 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 112.506 -2.134 . . . . 0.0 107.669 176.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -84.37 -34.92 23.51 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 113.06 -1.882 . . . . 0.0 107.698 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.79 -37.07 65.08 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 175.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.47 -42.25 78.99 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 112.692 -2.049 . . . . 0.0 109.674 176.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.14 -67.73 0.29 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 114.44 -1.254 . . . . 0.0 112.119 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.79 -28.4 63.98 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 112.614 -2.085 . . . . 0.0 113.437 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -94.09 -12.59 28.17 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.313 0.383 . . . . 0.0 111.97 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 19.0 m120 68.52 154.22 0.11 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.12 0.968 . . . . 0.0 111.753 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 49.6 t -89.51 158.6 17.61 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.383 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 tp 50.65 115.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 124.954 1.302 . . . . 0.0 113.22 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 82.7 m -131.09 144.54 51.49 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.671 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -112.36 -43.71 3.48 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.406 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -114.16 128.82 70.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 O-C-N 123.325 0.391 . . . . 0.0 110.438 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -124.46 146.62 48.83 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.848 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -129.24 116.55 19.32 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.789 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 42.6 t 59.17 116.06 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.997 0.919 . . . . 0.0 112.18 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 48.8 m -130.04 121.08 25.76 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -139.17 -40.4 0.47 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 23.1 mmt -99.21 -38.19 8.99 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.461 0.475 . . . . 0.0 111.612 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.27 155.43 42.65 Favored Pre-proline 0 CA--C 1.54 0.578 0 O-C-N 123.233 0.333 . . . . 0.0 111.496 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.04 158.67 27.07 Favored 'Trans proline' 0 C--N 1.375 1.934 0 C-N-CA 122.638 2.225 . . . . 0.0 112.909 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 23.1 mt -96.21 -11.36 26.19 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.79 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -87.99 -50.44 6.42 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.483 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 60.6 p 67.0 -33.97 0.22 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.792 1.237 . . . . 0.0 113.541 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -97.82 -45.67 6.24 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.511 0.324 . . . . 0.0 111.523 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -89.8 -8.9 51.05 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.601 0.563 . . . . 0.0 111.946 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.55 -14.08 17.61 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -97.07 -68.59 0.79 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.182 0.993 . . . . 0.0 111.006 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -55.47 -15.5 2.8 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 114.022 -1.444 . . . . 0.0 111.986 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -95.87 -40.27 9.4 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.583 1.153 . . . . 0.0 109.365 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -75.78 -12.32 60.16 Favored 'General case' 0 N--CA 1.486 1.325 0 CA-C-O 121.944 0.878 . . . . 0.0 109.874 177.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.33 -45.65 7.72 Favored 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 126.376 1.87 . . . . 0.0 106.772 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.65 -14.85 63.29 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 113.278 -1.783 . . . . 0.0 110.463 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.13 -27.75 15.41 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.517 1.127 . . . . 0.0 108.24 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 tp -81.08 -32.83 33.75 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.004 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -78.72 -30.24 45.81 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 126.676 1.99 . . . . 0.0 107.72 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -31.83 43.9 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 113.083 -1.871 . . . . 0.0 106.763 175.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -86.23 -14.96 42.32 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 113.929 -1.487 . . . . 0.0 110.804 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 tp -87.18 -29.89 21.42 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 124.189 0.996 . . . . 0.0 110.73 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.42 -19.05 34.11 Favored 'General case' 0 C--N 1.309 -1.171 0 C-N-CA 126.767 2.027 . . . . 0.0 106.657 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.26 -16.28 22.58 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 112.529 -2.123 . . . . 0.0 106.692 177.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.83 -42.47 9.51 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 112.946 -1.934 . . . . 0.0 105.903 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -77.02 -27.0 54.4 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 113.518 -1.673 . . . . 0.0 109.499 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -80.47 -18.4 48.78 Favored 'General case' 0 C--N 1.345 0.395 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 174.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -93.43 -25.86 17.47 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 113.442 -1.708 . . . . 0.0 108.806 176.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.07 -16.44 31.57 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 114.317 -1.31 . . . . 0.0 108.64 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.96 -21.17 19.94 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 105.804 -1.924 . . . . 0.0 105.804 176.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.87 -37.36 22.52 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-N 112.932 -1.94 . . . . 0.0 106.58 176.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 7.2 tp -78.07 -27.64 48.62 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-N 112.091 -2.322 . . . . 0.0 108.337 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.36 -20.7 33.79 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 177.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -89.12 -31.7 17.87 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 112.94 -1.936 . . . . 0.0 108.092 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -87.11 -19.48 28.47 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.134 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -58.29 -60.34 3.93 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.465 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -93.48 -42.35 9.3 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.601 -1.182 . . . . 0.0 111.66 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.178 0 C-N-CA 124.345 1.058 . . . . 0.0 112.299 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.485 0.183 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 55.04 -7.24 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.386 1.474 . . . . 0.0 114.499 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.94 -41.02 9.82 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.965 0.888 . . . . 0.0 110.207 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 10.3 mp -94.22 -52.4 4.38 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 112.868 -1.969 . . . . 0.0 108.976 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.36 -30.48 64.88 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 113.517 -1.674 . . . . 0.0 111.047 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -87.43 -23.31 24.54 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 114.569 -1.196 . . . . 0.0 109.988 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -19.19 37.18 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tt -89.03 -34.35 16.84 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 111.145 -2.752 . . . . 0.0 105.892 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.05 -22.85 48.49 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 112.839 -1.982 . . . . 0.0 108.447 176.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -84.85 -37.73 20.33 Favored 'General case' 0 CA--C 1.49 -1.348 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -73.09 -20.23 60.99 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 111.536 -2.575 . . . . 0.0 108.418 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.63 -31.72 24.07 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 175.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -80.23 -23.44 40.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 110.951 -2.84 . . . . 0.0 108.845 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -92.2 -17.59 24.64 Favored 'General case' 0 CA--C 1.497 -1.093 0 N-CA-C 106.233 -1.766 . . . . 0.0 106.233 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -83.12 -31.16 27.38 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 111.671 -2.513 . . . . 0.0 106.018 174.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.99 -34.5 32.94 Favored 'General case' 0 N--CA 1.433 -1.318 0 CA-C-N 112.835 -1.984 . . . . 0.0 107.353 177.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.07 -17.24 47.32 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 111.986 -2.37 . . . . 0.0 107.896 175.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 tp -83.34 -37.53 23.25 Favored 'General case' 0 CA--C 1.495 -1.154 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.27 -40.15 59.08 Favored 'General case' 0 C--O 1.205 -1.237 0 CA-C-N 111.713 -2.494 . . . . 0.0 106.504 175.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -12.16 61.35 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 113.642 -1.617 . . . . 0.0 108.345 176.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.63 -34.5 10.92 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 174.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.88 -53.23 4.48 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 113.297 -1.774 . . . . 0.0 112.532 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.77 -12.6 41.68 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -176.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.45 -26.05 24.89 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tt -70.55 -46.89 62.7 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 113.663 -1.608 . . . . 0.0 107.235 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -25.55 64.44 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 125.522 1.764 . . . . 0.0 107.166 174.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -76.41 -24.14 54.04 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.331 -1.758 . . . . 0.0 107.055 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.1 -40.36 9.66 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 114.121 -1.399 . . . . 0.0 109.227 175.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.53 -55.53 4.25 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 113.699 -1.591 . . . . 0.0 114.057 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -43.63 52.85 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -176.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.89 -26.79 68.47 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -94.07 -38.6 11.04 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.218 0.324 . . . . 0.0 111.253 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 21.1 m120 66.77 -68.83 0.14 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.381 1.072 . . . . 0.0 112.325 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 86.1 m -144.83 156.32 43.96 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.506 0.322 . . . . 0.0 111.101 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 pp -97.2 156.12 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.23 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -115.44 -44.88 2.95 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.574 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -110.15 123.61 50.04 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.312 0.382 . . . . 0.0 111.259 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 tp -147.03 126.86 4.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.363 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -128.68 -44.67 1.34 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.214 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -120.43 139.77 52.35 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.379 0.425 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.2 m -129.21 129.11 44.61 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 53.6 m -102.72 154.59 19.01 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.82 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -99.51 107.49 19.69 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.64 -40.15 0.34 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.122 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.02 160.02 41.41 Favored Pre-proline 0 CA--C 1.542 0.663 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.276 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -58.21 169.77 2.7 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 122.59 2.193 . . . . 0.0 113.175 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 14.4 mt -84.61 -11.1 56.64 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.234 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -90.3 -54.63 3.93 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.805 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 53.7 m 68.15 -34.55 0.26 Allowed 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.396 1.079 . . . . 0.0 113.385 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -98.0 -45.07 6.4 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.207 0.317 . . . . 0.0 111.351 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -88.58 -8.64 54.39 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.531 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.5 -8.36 17.1 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 tt -96.77 -69.16 0.77 Allowed 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.792 0.837 . . . . 0.0 110.635 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.73 -13.01 12.3 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 114.343 -1.299 . . . . 0.0 112.039 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -95.85 -41.34 8.87 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.513 1.125 . . . . 0.0 109.503 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -75.57 -12.58 60.25 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.907 177.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.43 -44.43 8.26 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 113.456 -1.702 . . . . 0.0 106.732 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.91 -19.8 66.12 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 113.248 -1.796 . . . . 0.0 110.006 176.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.01 -25.63 17.88 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.286 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.55 -14.89 41.6 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.857 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -95.05 -30.57 14.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 113.256 -1.793 . . . . 0.0 106.29 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -30.62 41.1 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 112.621 -2.081 . . . . 0.0 106.541 175.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -81.98 -13.85 56.84 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 113.945 -1.48 . . . . 0.0 109.351 175.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -87.92 -19.72 26.92 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 125.012 1.325 . . . . 0.0 109.736 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -19.41 19.84 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 105.971 -1.863 . . . . 0.0 105.971 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.29 -25.85 16.17 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 112.117 -2.31 . . . . 0.0 108.223 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.43 -40.42 13.51 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -68.79 -29.23 67.54 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 114.015 -1.448 . . . . 0.0 108.762 175.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -81.49 -17.7 47.71 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 174.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -91.38 -23.95 19.91 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 113.765 -1.562 . . . . 0.0 107.704 176.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.76 -16.18 34.92 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 113.658 -1.61 . . . . 0.0 107.555 176.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.02 -21.84 19.51 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 176.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -35.8 22.86 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 112.875 -1.966 . . . . 0.0 106.387 175.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 tp -76.01 -30.01 58.36 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-N 111.93 -2.395 . . . . 0.0 107.921 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.58 -19.68 35.12 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.74 -32.47 19.13 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 112.741 -2.027 . . . . 0.0 107.484 176.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -86.17 -17.15 35.65 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.287 -1.324 . . . . 0.0 109.613 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.12 -59.18 5.47 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.86 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -86.73 -42.04 13.67 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.639 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.23 0 C-N-CA 124.441 1.097 . . . . 0.0 112.212 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 120.736 0.303 . . . . 0.0 111.518 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -113.04 -2.78 14.13 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.321 0.581 . . . . 0.0 111.245 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.29 -39.82 11.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.509 -0.768 . . . . 0.0 112.078 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 tt -96.17 -61.83 1.38 Allowed 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 114.286 -1.324 . . . . 0.0 110.173 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -32.44 71.77 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 113.469 -1.696 . . . . 0.0 112.791 -178.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -93.72 -10.96 32.57 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 124.288 0.992 . . . . 0.0 110.543 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.1 -24.81 22.17 Favored 'General case' 0 C--O 1.225 -0.187 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 175.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.87 -21.72 19.08 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 112.125 -2.307 . . . . 0.0 107.508 177.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.88 -20.21 22.5 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.77 -30.34 17.08 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 113.283 -1.78 . . . . 0.0 106.248 175.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -80.68 -20.01 43.93 Favored 'General case' 0 CA--C 1.508 -0.655 0 O-C-N 125.268 1.605 . . . . 0.0 106.743 176.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.54 -36.29 26.47 Favored 'General case' 0 N--CA 1.422 -1.862 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 175.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -78.16 -19.55 53.75 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 111.805 -2.452 . . . . 0.0 108.844 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -92.48 -15.84 26.57 Favored 'General case' 0 CA--C 1.494 -1.194 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 174.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -89.94 -24.71 21.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 111.352 -2.658 . . . . 0.0 107.295 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -92.94 -28.73 16.27 Favored 'General case' 0 CA--C 1.496 -1.135 0 CA-C-N 113.389 -1.732 . . . . 0.0 106.617 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.0 -17.82 32.11 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 112.125 -2.307 . . . . 0.0 107.952 175.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 tt -85.61 -36.01 20.63 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 105.225 -2.139 . . . . 0.0 105.225 175.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -41.82 63.68 Favored 'General case' 0 N--CA 1.431 -1.399 0 CA-C-N 112.092 -2.322 . . . . 0.0 108.602 176.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -77.04 -15.68 59.52 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 113.334 -1.757 . . . . 0.0 109.499 176.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.91 -31.92 16.2 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 104.264 -2.495 . . . . 0.0 104.264 175.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 tt -74.69 -48.38 26.32 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 112.405 -2.18 . . . . 0.0 106.886 175.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.43 -13.13 62.0 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.365 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.23 -21.5 24.47 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.997 0.919 . . . . 0.0 109.469 178.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -84.57 -42.79 15.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 113.259 -1.791 . . . . 0.0 108.637 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.53 -27.29 55.91 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 112.702 -2.045 . . . . 0.0 108.434 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -86.43 -25.07 25.43 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 124.918 1.386 . . . . 0.0 107.689 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.41 -37.32 65.96 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 105.464 -2.05 . . . . 0.0 105.464 174.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.48 -45.44 38.4 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 111.455 -2.612 . . . . 0.0 110.935 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -46.41 55.08 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.76 -47.23 7.76 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -177.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -89.76 -28.21 19.52 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 63.38 152.82 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.825 0.85 . . . . 0.0 111.964 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 25.3 p -94.32 129.56 40.95 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.291 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.8 tp -101.59 156.09 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.471 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 83.5 m -94.06 -51.14 4.98 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.619 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -142.13 128.04 19.46 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.183 0.302 . . . . 0.0 111.276 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 tp -145.97 -49.44 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.512 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -137.53 -45.69 0.55 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.407 0.442 . . . . 0.0 110.786 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 41.8 t30 56.53 104.86 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.983 0.913 . . . . 0.0 112.004 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.8 m -138.1 115.21 10.93 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.669 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 52.7 m -137.88 -45.9 0.53 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.146 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 69.81 -56.89 0.56 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.338 1.055 . . . . 0.0 112.151 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 64.8 mtt -136.17 130.72 33.66 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.194 0.308 . . . . 0.0 110.648 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . 56.11 101.56 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.203 0 C-N-CA 123.854 0.862 . . . . 0.0 112.303 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -71.03 167.18 26.82 Favored 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 122.653 2.236 . . . . 0.0 112.744 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 20.2 mt -136.39 -47.82 0.64 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.39 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 61.09 136.33 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.885 1.274 . . . . 0.0 112.633 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 18.2 m -65.36 -6.65 10.66 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -97.52 -39.36 9.18 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.07 -8.47 45.77 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.153 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.31 -10.71 15.31 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.1 mt -97.06 -70.15 0.73 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.384 0.612 . . . . 0.0 112.082 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.98 -12.89 41.97 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.964 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -95.89 -38.71 10.15 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.364 1.066 . . . . 0.0 109.728 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -76.03 -12.58 60.15 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 121.975 0.893 . . . . 0.0 109.517 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.5 -43.73 8.58 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 113.125 -1.852 . . . . 0.0 106.735 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.88 -18.96 65.63 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 112.988 -1.915 . . . . 0.0 110.008 176.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.33 -24.26 18.18 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.263 177.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -86.11 -16.16 38.87 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 114.168 -1.378 . . . . 0.0 109.439 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -94.61 -29.18 14.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.491 -1.686 . . . . 0.0 107.119 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -29.64 25.74 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 112.885 -1.961 . . . . 0.0 107.239 175.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -84.91 -18.29 35.16 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.8 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tp -72.34 -38.07 68.71 Favored 'General case' 0 C--O 1.205 -1.277 0 CA-C-O 123.436 1.589 . . . . 0.0 110.222 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -19.51 61.06 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 111.528 -2.578 . . . . 0.0 107.515 177.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.11 -33.42 10.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 112.962 -1.927 . . . . 0.0 111.651 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.91 -40.63 11.61 Favored 'General case' 0 CA--C 1.51 -0.562 0 O-C-N 124.125 0.891 . . . . 0.0 109.815 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -78.91 -21.81 46.8 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 114.494 -1.23 . . . . 0.0 108.52 177.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -84.03 -17.83 39.08 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 173.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -92.0 -24.14 19.31 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 113.436 -1.711 . . . . 0.0 107.994 176.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -90.39 -15.08 31.69 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-N 114.01 -1.45 . . . . 0.0 107.798 176.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.99 -21.73 19.59 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 175.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -36.57 23.86 Favored 'General case' 0 N--CA 1.427 -1.604 0 CA-C-N 112.764 -2.016 . . . . 0.0 106.448 176.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 8.3 tp -77.83 -28.1 50.13 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-N 111.959 -2.382 . . . . 0.0 108.186 176.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.1 -20.25 35.21 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 176.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -89.03 -32.86 17.38 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 112.814 -1.994 . . . . 0.0 107.952 176.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -86.48 -17.52 34.0 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.026 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.01 -60.18 4.12 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.211 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -91.38 -42.38 10.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.615 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.168 0 C-N-CA 124.412 1.085 . . . . 0.0 112.245 -179.944 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 121.005 0.431 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -124.52 -7.5 7.48 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.15 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.11 -24.37 19.15 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.002 1.321 . . . . 0.0 110.944 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -86.63 -34.93 19.67 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.346 -1.297 . . . . 0.0 107.575 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.36 -23.6 43.25 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 113.054 -1.885 . . . . 0.0 108.019 176.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -89.75 -18.26 26.68 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 113.38 -1.736 . . . . 0.0 109.747 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -24.8 23.49 Favored 'General case' 0 C--O 1.226 -0.145 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 176.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.52 -19.58 21.08 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 112.388 -2.187 . . . . 0.0 107.187 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.86 -21.18 21.57 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 176.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -29.44 18.16 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 113.171 -1.831 . . . . 0.0 106.158 176.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -82.1 -18.8 41.73 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 125.327 1.642 . . . . 0.0 106.827 176.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.56 -32.71 23.67 Favored 'General case' 0 N--CA 1.429 -1.519 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 175.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -80.0 -24.24 40.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 111.219 -2.719 . . . . 0.0 109.179 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -91.02 -19.7 22.9 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 176.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -82.08 -33.98 29.56 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 111.702 -2.499 . . . . 0.0 106.413 175.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -33.83 58.2 Favored 'General case' 0 N--CA 1.435 -1.223 0 C-N-CA 126.425 1.89 . . . . 0.0 106.961 177.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.86 -16.18 51.6 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 111.775 -2.466 . . . . 0.0 107.641 175.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.4 -26.8 20.83 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.68 -30.94 21.32 Favored 'General case' 0 CA--C 1.499 -1.003 0 CA-C-N 113.558 -1.655 . . . . 0.0 106.886 176.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.14 -18.62 38.81 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 112.7 -2.046 . . . . 0.0 109.105 176.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.1 -31.4 19.24 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 175.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tt -73.98 -43.33 58.48 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 112.663 -2.062 . . . . 0.0 106.578 174.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.43 -12.81 60.6 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 113.481 -1.69 . . . . 0.0 110.534 177.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.59 -30.15 56.86 Favored 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 124.587 1.155 . . . . 0.0 109.791 178.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tt -77.88 -40.54 39.64 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 125.868 1.667 . . . . 0.0 108.777 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.44 -22.82 57.04 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 112.624 -2.08 . . . . 0.0 107.62 176.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -85.11 -34.71 22.13 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 113.215 -1.811 . . . . 0.0 107.827 174.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.12 -34.92 68.96 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 174.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.71 -47.11 56.19 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 112.155 -2.293 . . . . 0.0 109.806 176.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -41.19 96.25 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.855 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.8 -4.65 56.94 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.711 -1.131 . . . . 0.0 112.491 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 9.3 t-105 -85.0 -34.35 22.37 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 122.484 0.314 . . . . 0.0 111.833 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -90.54 113.11 25.03 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.859 0.361 . . . . 0.0 111.431 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 81.0 m -138.54 153.19 48.71 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.797 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 tp -94.0 116.61 35.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.722 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 82.7 m -137.32 156.65 47.99 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.93 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -92.37 -39.68 11.32 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.981 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 pp -98.67 156.49 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 123.427 0.454 . . . . 0.0 111.251 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -96.08 141.51 29.38 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -113.48 -44.12 3.25 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.258 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 25.2 p -105.74 122.44 46.09 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 123.39 0.431 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 52.8 m -135.79 151.55 50.2 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.04 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 18.6 m120 71.12 -47.69 0.66 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 124.525 1.13 . . . . 0.0 112.705 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -97.35 123.88 41.32 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 111.122 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.12 157.24 78.79 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.949 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -76.97 151.56 31.03 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.481 2.121 . . . . 0.0 112.848 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 25.5 mt -110.62 -16.4 13.64 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.708 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -87.52 91.61 8.8 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.829 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 67.6 m -156.41 -44.96 0.07 Allowed 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.347 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -98.52 -66.94 0.87 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -177.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -87.2 -8.52 56.78 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.34 -19.5 13.45 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 tt -97.38 -69.62 0.75 Allowed 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 123.517 0.727 . . . . 0.0 111.461 -178.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.54 -14.22 39.74 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 114.643 -1.162 . . . . 0.0 112.416 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -95.67 -40.36 9.43 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 124.381 1.073 . . . . 0.0 109.679 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -75.81 -12.33 60.15 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 121.846 0.831 . . . . 0.0 109.71 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -93.35 -44.52 8.25 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 113.317 -1.765 . . . . 0.0 106.736 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.42 -19.74 65.71 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 113.362 -1.745 . . . . 0.0 109.891 176.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.94 -25.85 17.84 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 114.241 -1.345 . . . . 0.0 108.261 177.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -87.5 -10.99 50.22 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.465 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -95.06 -33.23 12.77 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 113.128 -1.851 . . . . 0.0 106.396 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -30.23 35.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 112.41 -2.177 . . . . 0.0 107.25 175.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -84.29 -14.11 50.65 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.567 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 10.8 tp -84.34 -30.97 25.07 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 124.933 1.293 . . . . 0.0 110.537 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.27 -18.94 34.78 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 127.119 2.168 . . . . 0.0 106.66 177.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.88 -18.05 21.5 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 112.332 -2.213 . . . . 0.0 106.613 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.41 -41.23 12.22 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 112.749 -2.023 . . . . 0.0 105.63 176.113 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -74.46 -28.11 60.89 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 113.294 -1.775 . . . . 0.0 108.861 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -81.97 -17.32 47.37 Favored 'General case' 0 C--N 1.346 0.444 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 174.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -92.4 -24.44 18.87 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 113.663 -1.608 . . . . 0.0 107.935 176.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -89.53 -15.25 33.35 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 113.831 -1.531 . . . . 0.0 107.933 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.92 -21.95 19.51 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 175.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.89 -36.52 23.3 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-N 112.693 -2.049 . . . . 0.0 106.474 176.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.2 tp -77.27 -28.4 53.47 Favored 'General case' 0 C--O 1.206 -1.188 0 CA-C-N 111.937 -2.392 . . . . 0.0 108.086 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.1 -20.22 35.26 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -89.2 -32.02 17.64 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 112.82 -1.991 . . . . 0.0 107.836 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -86.25 -19.53 29.81 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.453 -1.248 . . . . 0.0 109.924 176.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mt -57.95 -60.3 3.92 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.405 178.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -93.04 -42.34 9.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.609 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.16 0 C-N-CA 124.375 1.07 . . . . 0.0 112.252 -179.927 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ttm . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.659 0.266 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -115.5 0.24 13.29 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.387 0.613 . . . . 0.0 110.512 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.16 -40.79 10.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.716 -178.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 7.5 tt -95.89 -62.28 1.31 Allowed 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.813 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -32.09 67.36 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 113.37 -1.741 . . . . 0.0 112.423 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -93.98 -11.0 31.8 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.236 0.96 . . . . 0.0 110.602 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.67 -24.07 22.85 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 175.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 tp -89.32 -36.09 15.74 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 111.52 -2.582 . . . . 0.0 106.937 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.02 -17.06 53.79 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 125.331 1.645 . . . . 0.0 107.67 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.15 -28.08 22.67 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 104.97 -2.233 . . . . 0.0 104.97 174.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -82.69 -21.43 34.88 Favored 'General case' 0 C--N 1.343 0.325 0 O-C-N 125.851 1.97 . . . . 0.0 107.334 176.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -85.8 -28.57 24.42 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 104.911 -2.255 . . . . 0.0 104.911 175.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -83.18 -18.93 37.63 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 111.729 -2.487 . . . . 0.0 108.679 176.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.36 -18.62 25.18 Favored 'General case' 0 CA--C 1.493 -1.235 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 174.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.63 -34.42 23.09 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 110.943 -2.844 . . . . 0.0 106.804 175.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -82.64 -26.9 31.76 Favored 'General case' 0 CA--C 1.492 -1.259 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.43 -17.92 37.65 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 112.183 -2.28 . . . . 0.0 107.323 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 tt -86.58 -38.5 17.08 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 113.664 -1.607 . . . . 0.0 106.772 176.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -78.08 -24.47 47.6 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 125.443 1.714 . . . . 0.0 107.454 175.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.81 -15.71 47.31 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 112.908 -1.951 . . . . 0.0 107.935 175.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.18 -29.63 12.73 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 113.335 -1.757 . . . . 0.0 107.471 175.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.18 -47.42 7.8 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 113.549 -1.66 . . . . 0.0 112.21 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.0 -12.08 31.56 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.808 1.411 . . . . 0.0 114.808 -177.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -94.4 -42.64 8.77 Favored 'General case' 0 C--O 1.198 -1.631 0 CA-C-N 118.307 0.503 . . . . 0.0 110.684 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -61.69 -35.48 78.14 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 125.743 1.902 . . . . 0.0 110.895 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -80.68 -26.64 37.43 Favored 'General case' 0 CA--C 1.495 -1.139 0 CA-C-N 112.069 -2.332 . . . . 0.0 107.846 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -83.09 -32.26 26.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 112.009 -2.36 . . . . 0.0 108.566 175.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.84 -32.8 59.95 Favored 'General case' 0 CA--C 1.496 -1.1 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -71.86 -46.47 57.82 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 112.284 -2.235 . . . . 0.0 109.182 176.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -39.86 95.84 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 114.771 -1.104 . . . . 0.0 112.032 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.07 -4.84 58.77 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.713 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -87.73 -42.78 12.38 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 122.177 0.191 . . . . 0.0 111.245 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -114.47 127.85 56.03 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.467 0.48 . . . . 0.0 110.739 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 25.5 p -111.36 -43.59 3.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.264 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.0 pp -140.95 134.75 32.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 O-C-N 123.36 0.412 . . . . 0.0 111.377 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 86.1 m -126.3 130.41 50.79 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -99.95 -47.31 5.06 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.172 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.1 -7.33 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -93.81 112.15 23.96 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.915 0.388 . . . . 0.0 111.083 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -140.65 -43.65 0.4 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.709 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 80.7 m -110.49 158.37 18.59 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 123.508 0.505 . . . . 0.0 111.04 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 13.4 t 64.03 125.89 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.932 0.893 . . . . 0.0 111.874 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -102.87 177.4 4.85 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -83.99 -46.73 11.73 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -128.87 -50.89 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.722 0 CA-C-O 118.707 -0.663 . . . . 0.0 112.631 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -75.19 153.35 40.82 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 122.176 1.917 . . . . 0.0 112.924 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 28.8 mt -108.89 -14.36 14.59 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.865 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -91.0 95.73 10.26 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.589 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 12.1 t -152.01 -63.6 0.17 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -98.46 -70.28 0.73 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -177.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -89.39 -8.94 52.06 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -177.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.98 -7.61 16.13 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.0 tt -96.04 -68.63 0.79 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.044 0.938 . . . . 0.0 110.08 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.13 -14.01 14.88 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 114.589 -1.187 . . . . 0.0 112.022 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -95.67 -39.07 10.08 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.547 1.139 . . . . 0.0 109.395 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -75.84 -12.73 60.22 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.938 0.875 . . . . 0.0 109.755 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.18 -44.02 8.55 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 113.118 -1.855 . . . . 0.0 106.835 178.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.02 -19.21 65.78 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 113.288 -1.778 . . . . 0.0 109.808 176.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.33 -26.41 17.3 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 114.382 -1.281 . . . . 0.0 108.385 177.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.67 -13.07 49.68 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.572 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -94.36 -29.14 15.16 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 178.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -81.79 -30.29 32.33 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 112.398 -2.183 . . . . 0.0 106.291 175.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -84.58 -13.86 50.49 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.656 175.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -87.77 -16.67 33.53 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 124.447 1.099 . . . . 0.0 109.622 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.63 -21.0 18.5 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 112.543 -2.117 . . . . 0.0 105.519 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.92 -20.28 19.54 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 111.954 -2.384 . . . . 0.0 107.161 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.47 -36.16 16.62 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 176.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -77.06 -28.04 54.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 112.891 -1.959 . . . . 0.0 108.216 176.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -83.33 -16.97 44.05 Favored 'General case' 0 C--N 1.346 0.446 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 174.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.11 -22.39 19.92 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-N 113.51 -1.677 . . . . 0.0 107.524 176.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -90.58 -15.82 29.87 Favored 'General case' 0 C--N 1.343 0.294 0 CA-C-N 113.784 -1.553 . . . . 0.0 107.511 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.91 -21.83 19.6 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.78 -36.59 23.46 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-N 112.722 -2.035 . . . . 0.0 106.225 175.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 tp -74.56 -31.54 62.12 Favored 'General case' 0 C--O 1.201 -1.48 0 CA-C-N 111.998 -2.365 . . . . 0.0 107.714 175.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.39 -20.98 42.78 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 177.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -89.18 -30.42 18.58 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 112.965 -1.925 . . . . 0.0 108.108 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -87.62 -21.5 25.29 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.903 177.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.23 -60.07 4.12 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 121.684 0.754 . . . . 0.0 111.921 178.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -86.69 -43.35 12.66 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 113.61 -1.632 . . . . 0.0 112.049 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.201 0 C-N-CA 124.249 1.02 . . . . 0.0 112.297 -179.843 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 121.066 0.46 . . . . 0.0 111.305 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -118.32 -2.94 11.03 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.162 0.585 . . . . 0.0 111.5 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.72 -43.71 9.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.175 -177.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tt -95.58 -58.45 2.11 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 125.122 1.369 . . . . 0.0 110.18 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -32.51 69.6 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 113.567 -1.651 . . . . 0.0 112.42 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -93.53 -11.05 32.81 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 124.115 0.885 . . . . 0.0 110.365 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.77 -23.13 22.97 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 175.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.98 -31.51 17.19 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 111.448 -2.614 . . . . 0.0 106.693 177.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.39 -16.61 42.14 Favored 'General case' 0 CA--C 1.511 -0.52 0 O-C-N 125.187 1.554 . . . . 0.0 106.863 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.82 -28.91 22.64 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 104.602 -2.369 . . . . 0.0 104.602 174.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -83.97 -18.79 36.07 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 112.915 -1.948 . . . . 0.0 107.589 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.25 -22.1 24.13 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 104.91 -2.255 . . . . 0.0 104.91 174.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -87.23 -22.95 24.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 110.699 -2.955 . . . . 0.0 108.374 176.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -93.05 -16.79 24.61 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 175.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.44 -25.49 26.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 111.601 -2.545 . . . . 0.0 106.272 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.06 -35.13 18.9 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 112.31 -2.223 . . . . 0.0 107.137 177.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.6 -16.92 46.62 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 112.14 -2.3 . . . . 0.0 108.176 176.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 tt -85.6 -36.04 20.63 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 105.269 -2.123 . . . . 0.0 105.269 174.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.14 -39.34 72.02 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-N 111.853 -2.43 . . . . 0.0 107.789 175.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.3 -16.03 57.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 112.496 -2.138 . . . . 0.0 109.283 176.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.2 -32.23 19.91 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 104.364 -2.458 . . . . 0.0 104.364 175.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.32 -41.86 55.85 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 112.531 -2.122 . . . . 0.0 107.156 174.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.72 -12.49 60.2 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 112.309 -2.223 . . . . 0.0 110.444 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -30.92 62.52 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 124.716 1.206 . . . . 0.0 109.263 178.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mp -73.86 -49.68 23.89 Favored 'General case' 0 C--O 1.202 -1.439 0 CA-C-N 113.625 -1.625 . . . . 0.0 107.322 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -21.06 66.17 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 125.92 2.012 . . . . 0.0 107.85 175.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -79.89 -27.4 40.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 113.548 -1.66 . . . . 0.0 107.039 173.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.5 -37.24 11.49 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 113.949 -1.478 . . . . 0.0 109.115 175.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.27 -55.04 4.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 113.319 -1.764 . . . . 0.0 113.207 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.77 -46.71 9.22 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -177.077 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.21 -40.42 71.16 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 -85.16 -32.66 22.6 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -124.28 134.81 53.11 Favored 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.387 0.43 . . . . 0.0 110.681 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 79.1 m -124.33 -46.95 1.89 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.5 0.5 . . . . 0.0 111.33 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.4 pt -101.44 -46.71 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 123.364 0.415 . . . . 0.0 111.3 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 80.6 m -126.3 143.91 50.99 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.58 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -98.73 139.01 35.07 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.492 0.495 . . . . 0.0 111.09 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 pt -116.6 161.85 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.347 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -91.49 128.84 37.47 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -114.67 151.43 33.61 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.602 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 49.7 t -101.63 126.89 48.55 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.006 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 52.9 m -131.81 -41.69 1.03 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.074 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -98.1 167.17 11.05 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 123.488 0.492 . . . . 0.0 110.746 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 65.6 mtt -79.84 114.67 18.93 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.905 0.384 . . . . 0.0 111.174 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . 52.94 64.58 6.99 Favored Pre-proline 0 N--CA 1.483 1.223 0 C-N-CA 124.043 0.937 . . . . 0.0 112.385 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -81.45 152.52 17.83 Favored 'Trans proline' 0 C--N 1.37 1.702 0 C-N-CA 122.929 2.42 . . . . 0.0 113.008 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 34.1 mt -120.48 -14.13 8.72 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.486 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -111.66 152.22 27.95 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.004 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 33.6 m -130.44 -37.49 1.4 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.072 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -97.86 -39.46 8.99 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.491 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -80.03 -7.72 58.99 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.641 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.5 -13.66 24.34 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.53 -69.43 0.76 Allowed 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.873 0.844 . . . . 0.0 111.616 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -58.64 -16.73 17.45 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 113.528 -1.669 . . . . 0.0 112.299 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -95.5 -36.52 11.27 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 124.195 0.998 . . . . 0.0 109.447 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -74.53 -12.85 60.58 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 122.214 1.007 . . . . 0.0 109.357 176.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mp -93.68 -43.89 8.43 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 112.866 -1.97 . . . . 0.0 106.731 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.71 -15.0 62.66 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 112.992 -1.913 . . . . 0.0 110.233 176.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.3 -26.87 16.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 177.168 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 49.1 tp -74.16 -44.17 54.53 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 113.591 -1.64 . . . . 0.0 109.278 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -70.55 -28.88 65.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 112.545 -2.116 . . . . 0.0 108.188 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -79.47 -29.05 41.54 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 174.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -76.33 -27.88 56.69 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 113.422 -1.717 . . . . 0.0 108.866 175.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mp -62.44 -47.7 82.91 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-O 123.539 1.638 . . . . 0.0 108.396 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -25.17 5.69 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 113.118 -1.855 . . . . 0.0 108.285 176.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.53 -35.56 9.11 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 112.61 -2.086 . . . . 0.0 112.44 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.24 -46.69 9.49 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 124.268 1.027 . . . . 0.0 109.886 -177.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -71.47 -25.28 62.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.119 -1.4 . . . . 0.0 108.279 176.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -84.18 -17.04 41.25 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 174.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.2 -23.06 19.49 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 113.635 -1.621 . . . . 0.0 107.455 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -89.89 -16.16 30.62 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 113.714 -1.585 . . . . 0.0 107.648 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.0 -21.33 19.82 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 106.109 -1.812 . . . . 0.0 106.109 176.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.18 -35.63 23.41 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 112.968 -1.924 . . . . 0.0 106.405 176.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.3 tp -76.76 -30.69 56.66 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 111.62 -2.536 . . . . 0.0 107.926 176.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.77 -20.2 36.32 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 177.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -85.85 -30.59 22.82 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 112.847 -1.979 . . . . 0.0 107.046 175.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -85.76 -18.1 33.96 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.029 -1.441 . . . . 0.0 109.576 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 10.2 tt -74.05 -60.34 2.31 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.658 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -76.05 -55.6 5.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.392 -1.276 . . . . 0.0 111.154 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.22 0 CA-C-N 114.628 -1.169 . . . . 0.0 112.322 179.819 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 120.975 0.417 . . . . 0.0 111.435 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -120.35 1.55 10.73 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.184 0.516 . . . . 0.0 111.018 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.72 -43.75 9.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.719 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -96.95 -53.78 3.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.275 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -32.57 74.36 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 113.616 -1.629 . . . . 0.0 112.712 -178.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -93.49 -10.84 33.57 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.233 0.958 . . . . 0.0 110.174 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.95 -23.18 22.74 Favored 'General case' 0 C--N 1.34 0.182 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 175.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp -91.8 -31.16 15.85 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 111.799 -2.455 . . . . 0.0 107.227 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.75 -20.01 36.77 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 113.515 -1.675 . . . . 0.0 107.542 176.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -29.4 18.52 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 175.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -80.63 -20.5 43.03 Favored 'General case' 0 CA--C 1.511 -0.541 0 O-C-N 125.439 1.712 . . . . 0.0 106.795 176.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.9 -35.41 26.16 Favored 'General case' 0 N--CA 1.42 -1.942 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 175.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -78.18 -19.39 54.01 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 111.804 -2.453 . . . . 0.0 108.689 176.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -92.2 -16.82 25.71 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -88.95 -23.9 22.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 111.315 -2.675 . . . . 0.0 107.201 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -91.07 -28.92 17.63 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 113.344 -1.753 . . . . 0.0 106.312 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.69 -19.43 30.88 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 111.995 -2.366 . . . . 0.0 107.858 175.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.51 -33.66 21.75 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 175.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.55 -39.06 65.0 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-N 112.466 -2.152 . . . . 0.0 107.915 175.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -77.41 -17.01 58.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 112.68 -2.054 . . . . 0.0 108.932 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.67 -31.14 18.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 104.602 -2.369 . . . . 0.0 104.602 175.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 tt -75.89 -41.12 52.97 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 112.541 -2.118 . . . . 0.0 106.574 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.74 -12.79 60.04 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 113.345 -1.752 . . . . 0.0 110.369 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.77 -28.87 61.89 Favored 'General case' 0 C--O 1.215 -0.738 0 C-N-CA 124.744 1.218 . . . . 0.0 110.167 178.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -29.29 33.0 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 125.426 1.49 . . . . 0.0 109.294 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -85.6 -21.14 28.62 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 111.904 -2.407 . . . . 0.0 106.589 177.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -88.36 -30.98 19.13 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 112.928 -1.942 . . . . 0.0 107.87 174.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.19 -31.1 60.86 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 174.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tt -77.72 -49.8 13.7 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 111.753 -2.476 . . . . 0.0 111.59 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.7 -53.86 4.23 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -177.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.13 -31.18 64.14 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -177.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -94.07 -73.35 0.57 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 117.53 0.15 . . . . 0.0 111.378 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -151.68 140.3 20.72 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.443 0.297 . . . . 0.0 111.076 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 49.1 t -96.82 -44.04 7.24 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.904 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 tp -137.88 116.03 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 O-C-N 123.46 0.475 . . . . 0.0 110.355 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 24.8 p -133.68 148.14 51.46 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.148 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -129.42 147.67 51.26 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.721 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.75 113.9 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.211 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -125.45 -43.24 1.92 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.201 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -107.59 -44.66 4.22 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.338 0.399 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.3 m -99.25 126.32 45.04 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 123.335 0.397 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 53.0 m -131.64 130.56 42.26 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.019 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -124.49 124.06 41.47 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.709 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 20.1 ptt? -127.28 105.4 8.52 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.453 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.98 -52.76 0.02 OUTLIER Pre-proline 0 CA--C 1.544 0.745 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.351 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -84.23 165.08 12.95 Favored 'Trans proline' 0 C--N 1.38 2.204 0 C-N-CA 122.449 2.099 . . . . 0.0 112.648 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 6.1 mp -82.65 -13.02 57.19 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.809 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -85.17 122.1 28.88 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.95 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 21.4 t -134.92 -94.11 0.28 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -98.12 -69.51 0.76 Allowed 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -92.71 -19.3 21.96 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.54 -7.13 0.37 Allowed 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.92 -69.35 0.76 Allowed 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 123.627 0.771 . . . . 0.0 109.761 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -56.77 -14.23 3.19 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 113.743 -1.572 . . . . 0.0 111.926 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -95.97 -42.02 8.49 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.812 1.245 . . . . 0.0 109.344 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -76.69 -12.3 59.98 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.159 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -92.78 -44.16 8.66 Favored 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 126.026 1.73 . . . . 0.0 106.937 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.85 -16.57 63.81 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 113.529 -1.669 . . . . 0.0 109.981 176.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.9 -25.99 16.34 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 114.568 -1.196 . . . . 0.0 107.81 177.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 tt -77.52 -41.38 39.42 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 113.916 -1.493 . . . . 0.0 109.112 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -70.19 -29.15 65.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 112.787 -2.006 . . . . 0.0 108.522 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -83.49 -29.78 27.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 113.266 -1.788 . . . . 0.0 107.199 175.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -84.45 -14.55 48.93 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.219 -1.355 . . . . 0.0 110.694 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.19 -24.0 28.08 Favored 'General case' 0 C--O 1.222 -0.349 0 C-N-CA 124.276 1.03 . . . . 0.0 110.612 178.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.83 -18.74 25.67 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 112.617 -2.083 . . . . 0.0 105.865 177.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.89 -25.3 16.63 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 111.924 -2.398 . . . . 0.0 107.611 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -40.43 18.1 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 176.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -71.16 -27.69 63.72 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 113.554 -1.657 . . . . 0.0 108.508 175.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -82.47 -18.0 43.24 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 107.348 -1.352 . . . . 0.0 107.348 174.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -92.17 -25.17 18.82 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 113.649 -1.614 . . . . 0.0 108.058 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -87.85 -15.17 37.51 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 113.787 -1.551 . . . . 0.0 107.921 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.92 -22.09 19.43 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 176.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.37 -36.39 22.5 Favored 'General case' 0 N--CA 1.426 -1.638 0 CA-C-N 112.75 -2.023 . . . . 0.0 106.355 176.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.2 tp -76.93 -28.57 55.3 Favored 'General case' 0 C--O 1.204 -1.334 0 CA-C-N 112.025 -2.352 . . . . 0.0 108.081 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.86 -20.27 35.87 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 176.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.22 -32.33 17.48 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 112.876 -1.965 . . . . 0.0 107.944 176.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -87.39 -17.45 32.28 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.228 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 mt -58.53 -60.27 4.07 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.499 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.14 -42.13 39.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.644 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.135 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.197 -179.924 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.974 0.416 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -116.74 -2.83 11.8 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.135 0.574 . . . . 0.0 111.47 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.38 -43.37 9.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.414 -177.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -96.37 -51.7 4.26 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.536 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -31.53 71.91 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 113.934 -1.485 . . . . 0.0 112.399 -178.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -92.53 -11.8 33.55 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.286 0.991 . . . . 0.0 109.969 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.99 -24.36 22.41 Favored 'General case' 0 C--O 1.225 -0.185 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 175.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.64 -20.23 20.39 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 112.107 -2.315 . . . . 0.0 107.251 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.85 -19.53 22.42 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.48 -22.69 18.71 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 175.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -87.0 -21.47 26.12 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 113.162 -1.835 . . . . 0.0 106.308 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.76 -36.91 21.43 Favored 'General case' 0 N--CA 1.427 -1.593 0 CA-C-N 113.138 -1.846 . . . . 0.0 106.393 176.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -78.52 -16.78 57.09 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 112.445 -2.161 . . . . 0.0 108.386 176.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.46 -30.63 21.87 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 175.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 tt -77.21 -38.38 51.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 110.889 -2.869 . . . . 0.0 107.587 176.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -75.54 -27.79 58.8 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 113.362 -1.745 . . . . 0.0 106.831 176.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.2 -29.41 38.61 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 111.839 -2.437 . . . . 0.0 107.468 175.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 tp -77.76 -30.93 51.73 Favored 'General case' 0 CA--C 1.51 -0.564 0 O-C-N 125.211 1.569 . . . . 0.0 107.248 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -36.72 61.92 Favored 'General case' 0 N--CA 1.425 -1.681 0 CA-C-N 112.504 -2.134 . . . . 0.0 106.797 175.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -77.49 -18.92 56.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 112.241 -2.254 . . . . 0.0 109.356 175.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -84.16 -40.67 17.9 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 104.271 -2.492 . . . . 0.0 104.271 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 tt -65.29 -44.27 88.52 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 110.784 -2.917 . . . . 0.0 107.135 174.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.94 -14.08 60.99 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 113.935 -1.484 . . . . 0.0 110.807 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.87 -26.98 44.02 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.281 1.033 . . . . 0.0 109.436 178.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.84 -34.2 45.36 Favored 'General case' 0 CA--C 1.5 -0.958 0 C-N-CA 125.679 1.592 . . . . 0.0 108.802 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.26 -21.87 39.09 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 111.603 -2.544 . . . . 0.0 106.343 175.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -80.31 -26.43 38.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 112.989 -1.914 . . . . 0.0 106.928 173.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.59 -34.62 15.42 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.311 -1.313 . . . . 0.0 108.387 175.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.57 -56.18 4.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 113.54 -1.664 . . . . 0.0 112.872 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -85.92 -60.76 1.92 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 -177.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.59 -33.18 63.71 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.915 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -94.18 -25.55 17.05 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.544 0.527 . . . . 0.0 111.583 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 19.2 m120 63.56 16.04 9.32 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.92 0.888 . . . . 0.0 112.747 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 82.2 m -98.07 128.28 44.5 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.027 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.9 pp -102.68 -37.31 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.547 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 76.5 m -120.74 131.82 54.72 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.454 0.471 . . . . 0.0 110.61 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -96.86 136.24 37.7 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.365 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 pt -127.36 -45.52 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.393 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -108.01 151.23 26.11 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 123.503 0.502 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 63.44 126.3 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.936 0.894 . . . . 0.0 111.95 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 74.0 m -104.29 150.86 24.07 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.159 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 39.0 p -95.59 120.65 36.21 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 18.5 m120 65.4 -71.82 0.08 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.175 0.99 . . . . 0.0 111.933 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 22.7 mmt -143.55 -55.64 0.39 Allowed 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 122.574 0.349 . . . . 0.0 110.645 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.83 120.51 5.06 Favored Pre-proline 0 CA--C 1.539 0.534 0 O-C-N 123.427 0.454 . . . . 0.0 110.73 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -74.59 151.82 42.2 Favored 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 122.369 2.046 . . . . 0.0 112.556 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 21.8 mt -132.09 -35.59 1.2 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.627 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -83.73 122.21 28.33 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.761 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 52.6 m -134.95 -95.1 0.27 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.161 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -97.77 -59.19 1.82 Allowed 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -92.23 -33.7 14.57 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.273 0.358 . . . . 0.0 111.662 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.77 -6.17 19.84 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.3 tt -93.16 -61.93 1.48 Allowed 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.529 1.131 . . . . 0.0 108.948 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -59.91 -13.35 10.56 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.603 177.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -95.37 -37.98 10.71 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.245 1.418 . . . . 0.0 109.017 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -73.38 -14.01 61.2 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 122.168 0.985 . . . . 0.0 109.486 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 mp -93.63 -44.34 8.23 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 112.902 -1.954 . . . . 0.0 106.855 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.33 -15.28 63.5 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 113.127 -1.851 . . . . 0.0 110.056 176.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.13 -26.88 15.83 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 124.841 1.257 . . . . 0.0 107.954 177.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -80.75 -29.44 36.25 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 113.913 -1.494 . . . . 0.0 109.329 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -82.88 -30.67 28.39 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 126.513 1.925 . . . . 0.0 107.05 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -26.4 50.43 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 112.917 -1.947 . . . . 0.0 105.791 174.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -75.5 -34.51 60.83 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 113.339 -1.755 . . . . 0.0 108.59 174.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -49.25 75.79 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 123.343 1.544 . . . . 0.0 109.512 177.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.63 -29.1 1.12 Allowed 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 113.352 -1.749 . . . . 0.0 108.186 176.179 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.37 -31.36 10.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 112.393 -2.185 . . . . 0.0 112.999 176.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.61 -45.27 8.17 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.975 0.91 . . . . 0.0 109.528 -176.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.51 -27.82 61.58 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.698 -1.137 . . . . 0.0 108.008 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -78.22 -27.17 47.71 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -83.73 -21.77 32.18 Favored 'General case' 0 CA--C 1.509 -0.597 0 O-C-N 125.117 1.51 . . . . 0.0 108.142 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -86.47 -14.49 43.01 Favored 'General case' 0 C--N 1.34 0.195 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 175.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.3 -25.18 17.86 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 112.84 -1.982 . . . . 0.0 106.818 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -85.61 -28.79 24.57 Favored 'General case' 0 CA--C 1.494 -1.173 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 176.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.9 tp -80.84 -31.05 35.62 Favored 'General case' 0 C--O 1.207 -1.148 0 CA-C-N 111.823 -2.444 . . . . 0.0 107.989 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.22 -20.53 37.52 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 106.584 -1.635 . . . . 0.0 106.584 177.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -89.02 -31.71 17.95 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 113.056 -1.883 . . . . 0.0 108.025 176.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -86.24 -19.89 29.28 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.864 176.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.57 -60.19 4.05 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.408 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -91.3 -42.49 10.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.574 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 C-N-CA 124.379 1.071 . . . . 0.0 112.292 -179.933 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 120.761 0.315 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -114.22 -2.67 13.32 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 123.202 0.601 . . . . 0.0 111.271 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.29 -40.99 10.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.151 -177.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 tt -95.75 -61.47 1.45 Allowed 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.273 -1.33 . . . . 0.0 109.951 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -32.33 69.22 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 113.574 -1.648 . . . . 0.0 112.456 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -90.71 -17.7 26.31 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 123.974 0.796 . . . . 0.0 110.494 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.46 -22.2 32.65 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -89.78 -30.04 18.26 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 111.573 -2.558 . . . . 0.0 106.618 177.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.84 -21.98 40.32 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 113.31 -1.768 . . . . 0.0 107.886 175.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -85.18 -38.72 18.67 Favored 'General case' 0 CA--C 1.488 -1.412 0 N-CA-C 105.915 -1.883 . . . . 0.0 105.915 175.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -72.94 -20.18 61.1 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 111.814 -2.448 . . . . 0.0 108.429 176.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.15 -32.19 24.79 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 175.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -80.0 -23.35 41.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 110.936 -2.847 . . . . 0.0 108.862 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.36 -16.02 25.09 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 175.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -86.66 -25.05 25.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 111.792 -2.458 . . . . 0.0 106.17 174.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.8 -34.3 18.32 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-N 112.521 -2.127 . . . . 0.0 107.487 177.27 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.45 -16.67 41.75 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 112.218 -2.265 . . . . 0.0 108.163 175.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 tt -86.27 -36.07 19.57 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 104.72 -2.326 . . . . 0.0 104.72 175.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.36 -45.58 62.55 Favored 'General case' 0 N--CA 1.427 -1.608 0 CA-C-N 112.224 -2.262 . . . . 0.0 107.389 174.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -68.19 -10.88 57.64 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.104 -1.407 . . . . 0.0 108.401 175.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.65 -33.46 11.31 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 174.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.04 -56.09 3.3 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 113.207 -1.815 . . . . 0.0 111.908 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.82 -12.35 55.73 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 -176.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.07 -23.24 19.54 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.69 -38.7 62.31 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 126.243 1.817 . . . . 0.0 108.608 177.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.19 -24.29 51.43 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-N 112.684 -2.053 . . . . 0.0 107.116 176.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -83.81 -33.94 24.83 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 112.592 -2.094 . . . . 0.0 108.207 175.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.54 -34.25 65.11 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 105.609 -1.997 . . . . 0.0 105.609 174.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.09 -46.44 61.81 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 112.144 -2.298 . . . . 0.0 109.385 176.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -40.8 98.26 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.07 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.49 -4.91 47.94 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 114.72 -1.127 . . . . 0.0 112.601 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -87.32 -40.35 14.55 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.286 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 62.56 125.03 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.962 0.905 . . . . 0.0 112.236 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 84.3 m -132.9 129.87 38.93 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.9 pp -107.81 -37.05 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.5 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 93.2 m -124.55 -7.93 7.45 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.445 0.465 . . . . 0.0 111.253 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 61.54 102.93 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.997 0.919 . . . . 0.0 112.025 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.7 pp -148.69 125.13 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.916 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -130.78 145.98 52.11 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.043 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -99.68 156.67 16.96 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.4 m -90.4 149.55 22.22 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.161 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 51.5 m -97.02 149.29 22.08 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.212 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -99.07 152.87 19.36 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 1.6 mpt? 71.21 -51.28 0.69 Allowed 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.42 1.088 . . . . 0.0 112.319 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.68 104.11 24.2 Favored Pre-proline 0 CA--C 1.541 0.612 0 O-C-N 123.218 0.324 . . . . 0.0 111.202 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -60.23 -71.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.765 2.31 . . . . 0.0 113.231 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 5.7 mt 66.18 -18.46 0.11 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.776 1.23 . . . . 0.0 113.753 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 51.71 156.29 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.547 1.539 . . . . 0.0 114.085 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 51.5 m -126.12 -28.89 3.09 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.316 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -97.56 -42.15 7.81 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -88.66 -8.64 54.24 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.42 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -105.73 -7.05 18.63 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.2 tt -96.44 -69.39 0.76 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.454 0.702 . . . . 0.0 111.035 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -63.45 -13.37 39.68 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 114.812 -1.085 . . . . 0.0 112.224 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -95.79 -40.67 9.23 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.353 1.061 . . . . 0.0 109.811 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -76.19 -12.4 60.09 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.689 0.757 . . . . 0.0 109.874 177.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -93.26 -44.58 8.25 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-N 113.472 -1.694 . . . . 0.0 106.755 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.38 -19.26 65.87 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 113.263 -1.79 . . . . 0.0 110.047 176.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.57 -26.7 17.0 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.326 -1.306 . . . . 0.0 108.44 177.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.7 -10.66 53.23 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 124.62 1.2 . . . . 0.0 109.744 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -94.9 -30.91 13.92 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.293 -1.776 . . . . 0.0 106.649 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -86.67 -29.54 22.41 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 112.456 -2.156 . . . . 0.0 107.786 176.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -88.06 -14.28 39.34 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.511 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.17 -28.8 57.46 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 125.253 1.421 . . . . 0.0 111.298 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.2 -19.21 27.18 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 126.356 1.863 . . . . 0.0 106.502 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.7 -18.73 20.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 112.581 -2.1 . . . . 0.0 107.902 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.06 -36.0 11.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 177.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -78.87 -28.32 44.13 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 113.892 -1.504 . . . . 0.0 109.084 177.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -80.34 -18.36 49.31 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 174.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -92.85 -24.71 18.39 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 113.469 -1.696 . . . . 0.0 108.536 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -88.92 -16.43 31.86 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 114.207 -1.361 . . . . 0.0 108.244 177.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.89 -21.26 19.94 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 176.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.37 -36.67 22.32 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 112.926 -1.943 . . . . 0.0 106.547 176.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 7.1 tp -77.73 -28.46 50.82 Favored 'General case' 0 C--O 1.205 -1.246 0 CA-C-N 111.991 -2.368 . . . . 0.0 108.204 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.7 -20.07 34.13 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 177.023 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -87.99 -31.97 19.08 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 112.908 -1.951 . . . . 0.0 107.637 176.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -87.61 -16.76 33.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.376 -1.283 . . . . 0.0 109.944 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 64.1 tp -58.92 -59.79 4.89 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.015 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -92.63 -42.43 9.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.627 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.228 0 C-N-CA 124.424 1.09 . . . . 0.0 112.155 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 120.759 0.314 . . . . 0.0 111.592 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.03 -1.83 11.84 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.151 0.58 . . . . 0.0 111.04 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.83 -43.28 9.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.013 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tt -95.75 -59.47 1.86 Allowed 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.928 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -32.31 67.79 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 113.718 -1.583 . . . . 0.0 112.436 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -93.43 -11.41 32.22 Favored 'General case' 0 N--CA 1.466 0.325 0 O-C-N 124.189 0.931 . . . . 0.0 110.395 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.64 -22.9 23.21 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 175.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tp -91.13 -31.17 16.33 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 111.635 -2.529 . . . . 0.0 107.179 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.44 -19.34 39.16 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 113.325 -1.761 . . . . 0.0 107.345 175.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.53 -28.85 18.24 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 175.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -81.63 -19.15 42.39 Favored 'General case' 0 CA--C 1.511 -0.529 0 O-C-N 125.511 1.757 . . . . 0.0 106.885 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.0 -33.7 26.48 Favored 'General case' 0 N--CA 1.424 -1.766 0 N-CA-C 105.144 -2.169 . . . . 0.0 105.144 175.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 13.4 t-105 -80.96 -19.42 44.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 111.615 -2.539 . . . . 0.0 109.07 176.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.59 -19.98 23.1 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 175.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tt -81.93 -41.34 21.0 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 111.287 -2.688 . . . . 0.0 106.21 175.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -72.37 -28.32 62.94 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 113.5 -1.682 . . . . 0.0 107.091 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.26 -19.4 36.44 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 112.183 -2.28 . . . . 0.0 107.652 175.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 8.1 tp -85.31 -35.86 21.19 Favored 'General case' 0 C--N 1.347 0.483 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 175.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.92 -29.09 55.51 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-N 113.513 -1.676 . . . . 0.0 106.733 176.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.64 -17.64 40.83 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 112.497 -2.138 . . . . 0.0 108.776 175.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -32.36 20.06 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 104.562 -2.384 . . . . 0.0 104.562 175.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.33 -41.56 63.34 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 112.605 -2.089 . . . . 0.0 106.868 174.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.55 -12.79 60.0 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 112.109 -2.314 . . . . 0.0 110.815 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -29.3 63.22 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 124.521 1.128 . . . . 0.0 109.794 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 mp -75.93 -48.13 22.46 Favored 'General case' 0 C--O 1.203 -1.347 0 CA-C-N 113.973 -1.467 . . . . 0.0 107.366 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.94 -21.47 65.98 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 112.687 -2.051 . . . . 0.0 107.644 174.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -79.17 -27.55 42.69 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 113.519 -1.673 . . . . 0.0 106.917 173.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.07 -38.21 11.74 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 113.945 -1.48 . . . . 0.0 108.981 175.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.1 -56.93 3.51 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 113.335 -1.757 . . . . 0.0 114.009 -178.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.36 -42.98 16.45 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -176.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.55 -5.19 31.44 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 2.5 m95 -93.99 -45.85 7.41 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 111.447 0.165 . . . . 0.0 111.447 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 18.7 m120 57.71 23.92 10.04 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.744 0.818 . . . . 0.0 112.682 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 49.5 t -93.86 -43.95 8.34 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.35 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.0 pp -141.29 135.18 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 O-C-N 123.386 0.429 . . . . 0.0 111.178 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 84.4 m -128.34 -45.3 1.37 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.501 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 63.34 151.86 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.827 0.851 . . . . 0.0 112.077 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.36 -54.15 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.757 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -136.68 -45.93 0.6 Allowed 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.216 0.322 . . . . 0.0 111.47 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -113.4 152.74 29.63 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.345 0.403 . . . . 0.0 111.344 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 25.8 p -95.84 -38.99 10.05 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.18 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 11.8 t 71.63 -42.12 0.52 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.535 1.134 . . . . 0.0 112.85 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -94.76 -63.19 1.2 Allowed 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.76 139.3 25.01 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.067 0.229 . . . . 0.0 110.975 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -117.73 89.37 32.97 Favored Pre-proline 0 CA--C 1.544 0.72 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.701 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.66 152.24 33.05 Favored 'Trans proline' 0 C--N 1.372 1.804 0 C-N-CA 122.732 2.288 . . . . 0.0 113.053 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 22.3 mt -113.42 -14.75 12.72 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.448 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -92.38 -4.51 53.71 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.818 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 63.6 m -128.01 -23.15 3.38 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -97.17 -55.51 2.83 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.48 0.178 . . . . 0.0 111.48 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -92.53 -9.18 42.22 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.57 -7.4 28.25 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.7 mt -96.22 -68.81 0.78 Allowed 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.503 0.721 . . . . 0.0 110.951 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -56.8 -15.6 4.99 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.407 -1.27 . . . . 0.0 112.024 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -95.51 -40.68 9.33 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 124.525 1.13 . . . . 0.0 109.568 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -75.02 -12.37 60.31 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.982 0.896 . . . . 0.0 109.645 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -93.04 -46.16 7.58 Favored 'General case' 0 CA--C 1.496 -1.125 0 CA-C-N 113.093 -1.867 . . . . 0.0 106.601 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.27 -19.94 63.76 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 113.262 -1.79 . . . . 0.0 110.023 176.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.23 -26.57 17.3 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 114.313 -1.312 . . . . 0.0 108.534 177.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -88.72 -11.85 43.97 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.289 -1.323 . . . . 0.0 109.624 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -94.61 -33.55 12.96 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 126.267 1.827 . . . . 0.0 106.089 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -77.05 -30.52 55.68 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 112.581 -2.099 . . . . 0.0 106.657 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -84.35 -13.62 51.83 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 113.877 -1.51 . . . . 0.0 109.792 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -85.06 -13.28 50.91 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.733 1.213 . . . . 0.0 110.707 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -94.66 -26.52 16.29 Favored 'General case' 0 CA--C 1.491 -1.291 0 C-N-CA 126.972 2.109 . . . . 0.0 105.707 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.38 -22.52 22.54 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 109.056 -3.702 . . . . 0.0 107.896 177.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.17 -33.34 19.42 Favored 'General case' 0 C--N 1.343 0.315 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 176.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -78.17 -30.62 49.2 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 112.673 -2.058 . . . . 0.0 107.877 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -77.51 -25.58 50.43 Favored 'General case' 0 C--N 1.345 0.378 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 174.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -85.53 -21.04 28.77 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 113.841 -1.527 . . . . 0.0 108.043 176.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -86.86 -13.86 43.72 Favored 'General case' 0 C--N 1.341 0.224 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 175.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.17 -24.32 18.27 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 112.742 -2.026 . . . . 0.0 106.602 176.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -85.22 -29.83 24.36 Favored 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 175.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 tp -80.77 -29.39 36.17 Favored 'General case' 0 C--O 1.208 -1.131 0 CA-C-N 111.787 -2.46 . . . . 0.0 107.921 175.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.1 -20.42 38.14 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 176.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -88.99 -32.42 17.64 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 112.847 -1.979 . . . . 0.0 107.975 176.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -87.15 -17.18 33.34 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.969 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.48 -60.03 4.12 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.187 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -86.77 -42.01 13.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.564 -1.198 . . . . 0.0 111.637 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.267 0 C-N-CA 124.368 1.067 . . . . 0.0 112.301 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 88.8 mtp . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.395 0.141 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 51.74 -1.21 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.042 1.737 . . . . 0.0 114.696 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.61 -42.49 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.815 0.817 . . . . 0.0 109.716 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -95.05 -53.1 3.94 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 113.068 -1.878 . . . . 0.0 108.386 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -31.85 61.96 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 113.332 -1.758 . . . . 0.0 111.535 179.042 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -93.85 -12.22 29.44 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.589 1.18 . . . . 0.0 110.348 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -22.5 21.84 Favored 'General case' 0 C--N 1.339 0.127 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.79 -31.2 15.84 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 111.773 -2.467 . . . . 0.0 107.121 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.21 -20.31 38.01 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 113.337 -1.756 . . . . 0.0 107.523 175.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -29.04 18.72 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 176.068 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -81.14 -19.93 42.43 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 125.467 1.729 . . . . 0.0 106.849 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.75 -34.43 27.15 Favored 'General case' 0 N--CA 1.422 -1.863 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 175.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -79.37 -19.17 50.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 111.699 -2.5 . . . . 0.0 108.86 176.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.63 -19.11 24.03 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 174.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.93 -31.95 23.36 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 111.221 -2.718 . . . . 0.0 107.01 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -82.59 -26.78 31.99 Favored 'General case' 0 CA--C 1.489 -1.367 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.53 -16.96 40.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 111.803 -2.453 . . . . 0.0 106.801 174.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.57 -27.41 20.26 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 174.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.43 -29.63 27.92 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 175.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.27 -19.61 36.0 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 112.241 -2.254 . . . . 0.0 109.263 175.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -30.4 20.61 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 104.044 -2.576 . . . . 0.0 104.044 175.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -46.89 51.1 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-N 112.49 -2.141 . . . . 0.0 106.191 174.092 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.62 -12.85 61.36 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 112.552 -2.113 . . . . 0.0 110.5 177.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.47 -25.17 29.1 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 124.711 1.204 . . . . 0.0 109.417 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 tt -86.05 -45.69 11.18 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 126.185 1.794 . . . . 0.0 107.314 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.0 -21.01 64.17 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 125.277 1.61 . . . . 0.0 107.055 174.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -75.77 -27.22 57.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 113.182 -1.826 . . . . 0.0 106.753 173.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.73 -38.46 10.78 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 113.525 -1.671 . . . . 0.0 109.093 175.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.11 -54.61 5.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 113.624 -1.626 . . . . 0.0 113.848 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -44.97 10.76 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -176.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.3 -8.82 42.96 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -92.41 -13.06 30.62 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 62.94 125.79 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.043 0.937 . . . . 0.0 112.301 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 24.9 p -132.22 134.05 44.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.537 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.2 pp -109.36 -59.74 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 O-C-N 123.423 0.452 . . . . 0.0 111.614 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 49.7 t -154.53 -43.7 0.09 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.476 0.31 . . . . 0.0 111.283 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -94.63 -14.97 24.4 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.453 0.471 . . . . 0.0 112.26 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 tt 56.07 167.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 124.446 1.098 . . . . 0.0 112.532 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -93.6 142.84 26.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -98.7 161.7 13.51 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.772 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 81.8 m -88.96 161.14 16.79 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.311 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 54.0 m -83.25 -36.07 24.85 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.896 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -92.42 -47.59 7.08 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.365 0.416 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 7.8 ttt 60.52 121.58 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.059 0.944 . . . . 0.0 112.024 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.95 -49.52 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.672 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.846 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.94 156.88 23.79 Favored 'Trans proline' 0 C--N 1.38 2.233 0 C-N-CA 122.35 2.034 . . . . 0.0 112.62 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 21.4 mt -95.43 -11.72 27.14 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.798 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -107.2 -53.95 2.54 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.898 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 48.8 m 69.58 -35.8 0.32 Allowed 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 124.458 1.103 . . . . 0.0 113.195 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -97.22 -44.85 6.75 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 122.399 0.279 . . . . 0.0 111.283 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -87.54 -9.15 55.24 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.414 0.446 . . . . 0.0 111.482 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.94 -7.06 34.14 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.887 0.475 . . . . 0.0 111.918 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -95.83 -68.22 0.81 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.073 0.949 . . . . 0.0 111.206 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -59.84 -13.76 12.05 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 114.581 -1.191 . . . . 0.0 112.208 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -94.77 -37.95 11.01 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.379 1.072 . . . . 0.0 108.674 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -76.61 -12.1 59.96 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 122.096 0.95 . . . . 0.0 109.109 175.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 tt -93.16 -44.64 8.26 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 126.859 2.064 . . . . 0.0 106.71 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.1 -19.28 65.61 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 113.405 -1.725 . . . . 0.0 109.993 176.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.19 -25.89 18.46 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.456 -1.247 . . . . 0.0 108.37 177.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -85.53 -14.79 44.82 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.608 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -94.99 -29.28 14.71 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 126.177 1.791 . . . . 0.0 106.314 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -32.57 30.0 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 112.464 -2.153 . . . . 0.0 106.965 175.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -82.24 -14.24 55.81 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 114.229 -1.35 . . . . 0.0 109.647 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 3.0 tt -83.89 -38.55 20.98 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 125.04 1.336 . . . . 0.0 109.359 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -16.85 56.36 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 112.445 -2.161 . . . . 0.0 107.439 176.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.14 -22.86 18.2 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 112.756 -2.02 . . . . 0.0 107.409 177.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.78 -39.64 16.9 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 175.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -71.74 -29.72 64.82 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 112.939 -1.937 . . . . 0.0 108.875 176.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -82.19 -16.94 47.96 Favored 'General case' 0 C--N 1.345 0.405 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 174.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.4 -22.95 19.36 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 113.677 -1.601 . . . . 0.0 107.44 176.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -90.08 -15.16 32.26 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 113.781 -1.554 . . . . 0.0 107.616 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.89 -21.97 19.53 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 176.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -36.14 23.46 Favored 'General case' 0 N--CA 1.427 -1.595 0 CA-C-N 112.672 -2.058 . . . . 0.0 106.257 176.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 11.8 tp -77.36 -28.17 52.87 Favored 'General case' 0 C--O 1.205 -1.261 0 CA-C-N 111.91 -2.405 . . . . 0.0 108.037 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.61 -20.55 36.19 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 176.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -89.27 -32.54 17.33 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 112.794 -2.003 . . . . 0.0 108.027 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -86.7 -18.38 31.37 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.961 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mt -56.59 -60.0 4.17 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.577 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -82.54 -41.24 19.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.515 -1.22 . . . . 0.0 112.091 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.087 -0.959 . . . . 0.0 111.327 -179.866 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ttp . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 120.595 0.235 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -112.32 -2.65 14.75 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.26 0.553 . . . . 0.0 111.021 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.28 -40.31 11.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.013 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 tt -95.78 -62.32 1.31 Allowed 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 114.253 -1.339 . . . . 0.0 109.969 -179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -31.5 68.58 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 113.693 -1.594 . . . . 0.0 112.494 -179.37 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -91.76 -12.0 35.11 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 124.09 0.869 . . . . 0.0 110.375 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.16 -21.11 23.48 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 105.906 -1.886 . . . . 0.0 105.906 175.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -90.2 -36.4 14.8 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 111.267 -2.697 . . . . 0.0 106.686 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.89 -19.23 52.41 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 113.215 -1.811 . . . . 0.0 107.899 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.72 -29.58 18.64 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 175.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -81.56 -18.45 44.87 Favored 'General case' 0 CA--C 1.512 -0.491 0 O-C-N 125.53 1.769 . . . . 0.0 107.208 176.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.76 -31.5 23.94 Favored 'General case' 0 N--CA 1.428 -1.549 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 175.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 -80.68 -22.71 40.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 110.84 -2.891 . . . . 0.0 108.681 176.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -93.16 -17.33 23.87 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 175.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.88 -24.85 26.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 111.646 -2.524 . . . . 0.0 106.379 175.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.78 -34.78 19.48 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 112.537 -2.12 . . . . 0.0 107.036 177.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.55 -17.49 44.75 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 112.048 -2.342 . . . . 0.0 108.077 175.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 tt -86.16 -35.56 20.06 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 175.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -38.92 72.72 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 111.867 -2.424 . . . . 0.0 107.867 175.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -79.25 -16.18 56.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 112.409 -2.178 . . . . 0.0 109.133 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.49 -32.55 19.39 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 104.419 -2.437 . . . . 0.0 104.419 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.06 -42.1 60.73 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 112.589 -2.096 . . . . 0.0 107.015 174.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.81 -12.69 60.22 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 112.159 -2.291 . . . . 0.0 110.648 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.27 -27.6 59.46 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.605 1.162 . . . . 0.0 109.819 178.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.1 -38.39 44.2 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 113.831 -1.531 . . . . 0.0 108.155 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.12 -20.16 49.32 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 111.587 -2.551 . . . . 0.0 106.927 175.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -79.56 -25.57 41.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 113.285 -1.78 . . . . 0.0 106.436 173.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.81 -37.81 12.11 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 113.653 -1.612 . . . . 0.0 108.814 175.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.73 -55.48 4.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 113.542 -1.663 . . . . 0.0 113.917 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.35 -43.99 13.2 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -176.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.97 -6.38 38.28 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -89.6 -40.5 12.56 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 122.93 0.144 . . . . 0.0 111.154 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -117.87 139.74 50.69 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.45 0.469 . . . . 0.0 110.811 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 83.3 m -93.95 -42.03 9.28 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.45 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.0 pp -119.19 134.84 61.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 O-C-N 123.379 0.424 . . . . 0.0 111.09 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 85.5 m -119.94 120.66 37.03 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.06 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -134.69 -42.97 0.75 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.724 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 pp -128.94 -45.29 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.5 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -105.49 131.52 52.79 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.376 0.423 . . . . 0.0 110.858 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -109.59 -37.62 5.65 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.053 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 79.1 m -93.76 160.75 14.62 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 55.2 p -88.45 36.39 0.79 Allowed 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.472 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 65.75 -73.8 0.06 Allowed 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.198 0.999 . . . . 0.0 111.909 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 6.4 tpt 56.59 171.09 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.802 0.841 . . . . 0.0 112.096 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.73 62.52 50.42 Favored Pre-proline 0 CA--C 1.55 0.948 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.501 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -86.28 164.65 9.74 Favored 'Trans proline' 0 C--N 1.372 1.784 0 C-N-CA 123.055 2.503 . . . . 0.0 112.456 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -94.84 -12.64 26.6 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.709 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -134.25 -52.77 0.84 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.795 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 8.1 t 71.05 -45.45 0.61 Allowed 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.59 1.156 . . . . 0.0 113.189 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -97.73 -48.26 5.28 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 122.384 0.274 . . . . 0.0 111.293 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -77.33 -7.16 55.58 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.543 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.38 -21.1 13.18 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 tt -97.52 -70.24 0.73 Allowed 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.141 0.577 . . . . 0.0 112.097 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -65.65 -14.8 61.93 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 114.679 -1.146 . . . . 0.0 112.104 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -95.65 -37.62 10.74 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.191 0.996 . . . . 0.0 110.232 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -75.25 -12.57 60.31 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 122.127 0.965 . . . . 0.0 109.408 176.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -93.56 -43.56 8.64 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 112.885 -1.961 . . . . 0.0 106.761 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.57 -15.64 63.26 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 113.224 -1.807 . . . . 0.0 110.295 176.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.2 -25.2 16.48 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 177.29 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 tt -77.4 -43.35 32.97 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 113.686 -1.597 . . . . 0.0 108.72 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -70.92 -31.96 68.74 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 112.635 -2.075 . . . . 0.0 108.297 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -74.96 -33.0 61.85 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -82.29 -15.17 53.93 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 113.45 -1.705 . . . . 0.0 110.111 176.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.47 -17.11 27.71 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 124.704 1.201 . . . . 0.0 109.472 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.52 -20.61 18.25 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 105.99 -1.856 . . . . 0.0 105.99 178.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.95 -26.87 15.94 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 112.234 -2.257 . . . . 0.0 108.472 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.15 -40.95 14.14 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 176.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -68.41 -28.91 67.5 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.099 -1.409 . . . . 0.0 108.74 174.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -81.52 -18.62 44.41 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -90.85 -24.18 20.34 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 113.713 -1.585 . . . . 0.0 107.777 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -87.99 -15.77 35.55 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 113.766 -1.561 . . . . 0.0 107.647 176.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.99 -21.97 19.45 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.46 -35.79 22.76 Favored 'General case' 0 N--CA 1.427 -1.605 0 CA-C-N 112.803 -1.998 . . . . 0.0 106.411 176.082 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 tp -76.49 -29.49 56.86 Favored 'General case' 0 C--O 1.206 -1.228 0 CA-C-N 111.878 -2.419 . . . . 0.0 108.002 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.25 -19.77 35.78 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 176.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -87.83 -31.23 19.66 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 112.778 -2.01 . . . . 0.0 107.468 176.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -87.28 -18.33 30.45 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.122 -1.399 . . . . 0.0 109.849 176.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 9.6 tt -63.63 -60.13 3.72 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.994 178.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -86.91 -43.21 12.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.874 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.216 0 C-N-CA 124.438 1.095 . . . . 0.0 112.266 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 111.294 0.109 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -91.12 0.16 57.59 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.125 0.57 . . . . 0.0 111.256 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.91 -17.79 24.7 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.03 1.332 . . . . 0.0 110.157 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -92.08 -35.61 13.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.213 -1.358 . . . . 0.0 107.481 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.39 -23.58 40.33 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 113.129 -1.851 . . . . 0.0 107.914 176.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -85.14 -27.49 26.17 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 113.271 -1.786 . . . . 0.0 109.863 177.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -22.5 38.02 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -88.55 -27.0 21.69 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 111.772 -2.467 . . . . 0.0 106.309 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.35 -21.85 30.76 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 125.271 1.607 . . . . 0.0 107.715 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -82.4 -36.09 27.05 Favored 'General case' 0 CA--C 1.487 -1.456 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 174.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -75.91 -21.91 56.62 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 111.119 -2.764 . . . . 0.0 108.372 176.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -83.23 -29.7 28.27 Favored 'General case' 0 CA--C 1.489 -1.391 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 174.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -80.7 -21.33 41.35 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 111.374 -2.648 . . . . 0.0 108.789 176.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.76 -18.05 25.62 Favored 'General case' 0 CA--C 1.494 -1.177 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 174.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -84.03 -34.01 24.36 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 111.279 -2.691 . . . . 0.0 106.595 175.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -82.44 -28.2 31.47 Favored 'General case' 0 CA--C 1.49 -1.334 0 CA-C-N 113.392 -1.731 . . . . 0.0 106.786 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.95 -17.93 38.97 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 112.099 -2.319 . . . . 0.0 107.38 175.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 44.2 tp -84.78 -37.77 20.4 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 113.75 -1.568 . . . . 0.0 107.472 175.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.3 -26.31 42.29 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 112.625 -2.08 . . . . 0.0 107.413 175.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.08 -15.53 53.15 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 113.241 -1.8 . . . . 0.0 107.62 175.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.7 -30.19 12.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 113.097 -1.865 . . . . 0.0 107.571 175.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.31 -46.53 7.99 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 113.7 -1.591 . . . . 0.0 112.553 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.06 -12.61 32.64 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -176.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -94.16 -42.68 8.85 Favored 'General case' 0 C--O 1.207 -1.158 0 CA-C-O 121.447 0.641 . . . . 0.0 109.67 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -26.71 67.41 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 112.556 -2.111 . . . . 0.0 110.017 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.92 -33.63 39.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 112.225 -2.261 . . . . 0.0 106.972 176.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -79.59 -32.35 41.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 111.733 -2.485 . . . . 0.0 108.871 176.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.58 -30.85 57.19 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 175.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 tt -71.55 -46.85 58.3 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 112.272 -2.24 . . . . 0.0 108.721 175.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -36.09 82.93 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.864 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.17 -23.92 65.92 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 114.443 -1.253 . . . . 0.0 112.864 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 48.2 m95 -88.17 -41.76 12.78 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.318 0.386 . . . . 0.0 111.369 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 63.36 142.49 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.131 0.973 . . . . 0.0 112.226 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 81.1 m -128.32 130.08 47.26 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.685 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 tp -127.33 -38.45 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 49.7 t -100.62 142.75 31.66 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.292 0.37 . . . . 0.0 110.825 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.44 130.22 45.68 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 tp -111.53 154.08 13.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.616 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -90.51 149.83 22.03 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.095 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -97.77 148.47 23.34 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.233 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.2 m -124.25 160.34 28.18 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.726 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 52.4 p -86.79 99.51 11.85 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.167 0.508 . . . . 0.0 111.228 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -145.03 160.84 40.74 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 23.5 mmt -90.3 116.3 28.16 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.24 159.78 70.77 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.294 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -69.78 -176.89 1.64 Allowed 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.592 2.195 . . . . 0.0 112.632 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 6.1 mp -75.91 -9.42 58.59 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -108.16 97.94 7.56 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.222 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 47.5 m -145.93 -163.06 1.65 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.747 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -84.18 -40.96 17.51 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.754 0.422 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -88.83 -9.81 50.37 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.644 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.47 -5.93 58.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.799 0.84 . . . . 0.0 111.759 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.4 tt -93.53 -60.05 1.86 Allowed 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.921 1.289 . . . . 0.0 109.453 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.59 -13.41 31.03 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.042 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -95.06 -37.47 11.09 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 124.877 1.271 . . . . 0.0 108.602 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -75.43 -12.58 60.28 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 122.074 0.94 . . . . 0.0 109.279 176.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 tt -93.28 -45.93 7.61 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 126.743 2.017 . . . . 0.0 106.491 178.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.61 -16.32 64.11 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 113.553 -1.658 . . . . 0.0 110.054 176.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.5 -27.27 16.07 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 114.453 -1.248 . . . . 0.0 108.389 177.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -85.16 -13.07 51.26 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 124.646 1.216 . . . . 0.0 109.585 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -95.11 -31.55 13.5 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 113.065 -1.88 . . . . 0.0 106.874 178.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.77 -29.46 25.43 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 112.587 -2.097 . . . . 0.0 107.659 176.205 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -85.66 -16.36 39.38 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.743 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -20.23 63.31 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 122.673 1.225 . . . . 0.0 110.823 178.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.05 -19.5 20.8 Favored 'General case' 0 C--N 1.284 -2.266 0 CA-C-N 112.207 -2.269 . . . . 0.0 106.395 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.26 -27.87 13.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 112.761 -2.018 . . . . 0.0 110.788 177.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.12 -40.29 9.69 Favored 'General case' 0 N--CA 1.445 -0.706 0 O-C-N 124.283 0.989 . . . . 0.0 108.933 -179.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -80.05 -21.89 42.95 Favored 'General case' 0 CA--C 1.51 -0.582 0 O-C-N 124.544 1.152 . . . . 0.0 109.215 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -83.35 -17.83 41.01 Favored 'General case' 0 C--N 1.349 0.546 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 173.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -92.22 -24.14 19.13 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-N 113.461 -1.699 . . . . 0.0 108.217 176.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -89.63 -16.24 30.97 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.125 -1.398 . . . . 0.0 107.98 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.97 -21.42 19.79 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 106.02 -1.844 . . . . 0.0 106.02 176.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.73 -36.24 23.81 Favored 'General case' 0 N--CA 1.426 -1.63 0 CA-C-N 112.937 -1.938 . . . . 0.0 106.501 175.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 12.4 tp -76.36 -29.99 57.41 Favored 'General case' 0 C--O 1.205 -1.273 0 CA-C-N 111.812 -2.449 . . . . 0.0 108.017 176.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.31 -19.91 35.36 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 177.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -87.91 -31.4 19.47 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 113.045 -1.889 . . . . 0.0 107.51 176.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -87.5 -16.45 34.69 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.348 -1.296 . . . . 0.0 110.011 176.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.1 -60.46 2.79 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.208 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -87.5 -43.48 12.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.691 -1.141 . . . . 0.0 111.893 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.209 0 C-N-CA 124.351 1.061 . . . . 0.0 112.292 -179.794 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 120.859 0.361 . . . . 0.0 111.668 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -115.85 -3.19 12.21 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.218 0.607 . . . . 0.0 111.446 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.36 -42.86 9.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.464 -177.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -96.2 -52.71 3.9 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.583 -178.562 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -31.41 71.99 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 113.949 -1.478 . . . . 0.0 112.203 -178.872 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -91.67 -11.65 36.37 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 124.185 0.928 . . . . 0.0 110.269 178.438 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -22.14 23.53 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 175.015 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 tt -87.87 -40.73 13.75 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 111.228 -2.714 . . . . 0.0 106.319 177.716 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.47 -17.13 59.47 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 125.412 1.695 . . . . 0.0 107.978 176.347 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -28.78 23.34 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 174.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -83.59 -19.06 36.22 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 112.987 -1.915 . . . . 0.0 107.753 177.082 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -89.45 -21.66 22.89 Favored 'General case' 0 CA--C 1.493 -1.219 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 175.227 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -88.37 -24.08 23.2 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 110.982 -2.826 . . . . 0.0 108.948 176.383 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -92.04 -18.98 22.85 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 176.066 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tt -81.38 -36.48 29.54 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-N 111.723 -2.489 . . . . 0.0 106.087 175.406 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.89 -35.82 62.27 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 112.174 -2.285 . . . . 0.0 107.982 176.069 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.55 -17.41 48.5 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 112.319 -2.219 . . . . 0.0 108.368 176.101 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 tt -84.44 -35.77 22.81 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 105.238 -2.134 . . . . 0.0 105.238 174.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.71 -38.96 67.33 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 112.118 -2.31 . . . . 0.0 108.267 176.16 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -78.99 -16.06 57.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 112.761 -2.018 . . . . 0.0 108.935 176.308 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -31.36 18.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 104.429 -2.434 . . . . 0.0 104.429 174.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 tt -75.63 -41.46 54.15 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 112.373 -2.194 . . . . 0.0 106.608 175.111 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.05 -12.23 59.91 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 113.25 -1.796 . . . . 0.0 110.529 177.186 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.61 -29.16 59.12 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 124.714 1.206 . . . . 0.0 109.668 178.489 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 tt -77.58 -45.82 24.09 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-N 113.855 -1.521 . . . . 0.0 107.1 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.3 -20.41 63.02 Favored 'General case' 0 C--O 1.219 -0.536 0 O-C-N 125.682 1.864 . . . . 0.0 107.283 175.072 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -79.35 -25.83 42.19 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 113.391 -1.732 . . . . 0.0 106.788 173.327 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.96 -35.77 11.86 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 113.799 -1.546 . . . . 0.0 108.994 175.637 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.66 -53.82 5.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 113.651 -1.613 . . . . 0.0 113.387 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.6 -46.32 9.65 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -176.932 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.31 -31.06 68.21 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -178.461 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -89.43 -39.66 13.23 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 -179.615 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -95.8 126.84 41.33 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.335 0.397 . . . . 0.0 110.792 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 83.1 m -104.36 -42.32 5.51 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.525 -179.767 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.5 pt -120.64 116.55 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 O-C-N 123.347 0.405 . . . . 0.0 111.484 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 83.1 m -132.2 130.43 41.01 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.612 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -116.85 -47.99 2.68 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.492 0.495 . . . . 0.0 111.379 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 pp -145.14 -45.88 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 123.286 0.366 . . . . 0.0 111.75 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -119.77 148.51 43.34 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.353 0.408 . . . . 0.0 111.05 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -121.82 152.11 39.89 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.066 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 49.8 t -97.88 129.2 44.84 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 41.5 p -113.01 150.82 31.41 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.01 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -98.13 -45.81 6.09 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 64.7 mtt -133.64 121.71 22.41 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 123.279 0.362 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.38 108.5 12.29 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.788 179.728 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.19 -77.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.539 2.159 . . . . 0.0 113.118 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -133.12 -30.75 1.32 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.664 0.269 . . . . 0.0 111.581 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -90.31 135.33 33.74 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.025 -179.46 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 19.2 t -141.69 -79.21 0.25 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.492 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -98.52 -64.85 1.0 Allowed 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.56 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -91.99 -9.32 43.37 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -177.841 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.39 -6.29 22.07 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.393 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 tt -94.85 -67.87 0.83 Allowed 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.233 1.013 . . . . 0.0 110.223 -178.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -59.24 -12.98 6.22 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.538 178.883 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -95.76 -40.56 9.29 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.743 1.217 . . . . 0.0 109.425 179.045 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -74.77 -12.5 60.42 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 121.849 0.833 . . . . 0.0 109.702 177.217 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.03 -44.03 8.61 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 113.192 -1.822 . . . . 0.0 107.036 178.292 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.82 -17.02 64.38 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 113.013 -1.903 . . . . 0.0 109.889 176.294 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.08 -26.26 16.11 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 114.451 -1.25 . . . . 0.0 107.901 177.331 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 42.5 tp -74.69 -39.82 61.74 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 114.099 -1.41 . . . . 0.0 110.491 178.763 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -75.09 -31.47 61.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 112.717 -2.038 . . . . 0.0 107.916 177.684 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -30.88 57.26 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 113.271 -1.786 . . . . 0.0 106.197 175.153 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -84.71 -14.43 48.42 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 113.542 -1.663 . . . . 0.0 109.951 175.642 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -89.42 -17.27 29.08 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.119 0.967 . . . . 0.0 109.993 178.653 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -21.0 18.39 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 178.733 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.8 -20.86 19.12 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 111.79 -2.459 . . . . 0.0 107.108 177.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.0 -36.32 19.84 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 175.909 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -76.45 -31.7 57.99 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 112.973 -1.921 . . . . 0.0 107.862 176.565 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -78.26 -25.61 46.88 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 174.851 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.73 -19.25 31.1 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 124.983 1.427 . . . . 0.0 107.955 176.657 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -86.43 -14.88 41.97 Favored 'General case' 0 C--N 1.343 0.318 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 174.817 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.33 -25.05 17.9 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 112.509 -2.132 . . . . 0.0 106.838 176.419 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -86.28 -28.84 23.51 Favored 'General case' 0 CA--C 1.497 -1.078 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 175.835 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.0 tp -79.34 -32.03 43.19 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-N 111.967 -2.379 . . . . 0.0 107.765 176.012 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.95 -20.29 38.92 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 177.025 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -86.56 -31.28 21.31 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 112.978 -1.919 . . . . 0.0 107.355 176.017 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -86.52 -17.51 33.93 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.254 -1.339 . . . . 0.0 109.903 176.417 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 8.4 tt -70.03 -60.11 2.49 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.568 178.439 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -79.13 -53.45 6.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.015 179.377 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.186 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.375 179.843 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ptt? . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.046 0.451 . . . . 0.0 111.463 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -119.19 -2.31 10.72 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.132 0.573 . . . . 0.0 111.602 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.61 -43.64 9.51 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.017 -177.527 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tt -95.68 -60.26 1.69 Allowed 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 125.047 1.339 . . . . 0.0 109.571 -179.601 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -32.5 65.31 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 113.515 -1.675 . . . . 0.0 112.527 -179.253 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -94.38 -11.31 30.17 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.247 0.967 . . . . 0.0 110.486 179.248 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.21 -22.71 22.63 Favored 'General case' 0 N--CA 1.461 0.116 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 175.634 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tp -91.29 -31.53 16.07 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 111.82 -2.445 . . . . 0.0 107.287 177.778 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.52 -19.96 37.66 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 113.39 -1.732 . . . . 0.0 107.505 176.099 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.37 -28.78 18.46 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 176.018 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -81.15 -19.75 42.79 Favored 'General case' 0 CA--C 1.51 -0.587 0 O-C-N 125.415 1.697 . . . . 0.0 106.831 176.534 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.83 -34.92 26.77 Favored 'General case' 0 N--CA 1.421 -1.901 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 175.419 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -79.92 -18.38 50.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 111.595 -2.548 . . . . 0.0 108.903 176.683 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -91.92 -17.85 24.6 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 105.545 -2.02 . . . . 0.0 105.545 174.668 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -84.91 -33.18 22.79 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 111.084 -2.78 . . . . 0.0 106.547 175.36 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -83.87 -27.47 28.64 Favored 'General case' 0 CA--C 1.492 -1.259 0 CA-C-N 113.585 -1.643 . . . . 0.0 106.823 177.102 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.83 -16.45 41.31 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 112.207 -2.269 . . . . 0.0 107.482 175.519 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 tt -85.9 -37.83 18.69 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 175.014 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.95 -31.52 59.1 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 113.105 -1.862 . . . . 0.0 107.548 176.085 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.18 -18.35 43.01 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 112.849 -1.978 . . . . 0.0 108.837 176.111 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.13 -31.65 20.3 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 104.408 -2.442 . . . . 0.0 104.408 175.391 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 tt -73.34 -42.85 61.77 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 112.567 -2.106 . . . . 0.0 106.115 174.882 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.01 -14.45 61.43 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 113.538 -1.665 . . . . 0.0 110.474 177.147 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.41 -26.83 41.83 Favored 'General case' 0 C--O 1.213 -0.836 0 C-N-CA 124.615 1.166 . . . . 0.0 109.909 178.715 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.45 -24.69 36.66 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 125.644 1.578 . . . . 0.0 109.706 179.798 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.15 -24.54 22.17 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 111.098 -2.774 . . . . 0.0 106.226 177.138 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -83.07 -35.14 25.94 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 112.34 -2.209 . . . . 0.0 107.922 175.089 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.42 -34.42 63.25 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 175.654 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.06 -44.97 68.05 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 112.53 -2.123 . . . . 0.0 110.243 176.855 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -62.43 -70.47 0.2 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 122.78 1.276 . . . . 0.0 112.749 -179.722 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.65 -24.64 3.47 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 111.576 -2.557 . . . . 0.0 113.766 -178.431 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 14.3 m95 -91.77 -50.82 5.54 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.392 0.433 . . . . 0.0 111.583 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -142.79 121.88 12.89 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.149 0.28 . . . . 0.0 111.297 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 83.0 m -99.61 -49.92 4.24 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.867 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.2 pp -147.15 99.29 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 179.549 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 48.8 t -141.61 149.88 41.27 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -100.13 -41.03 7.3 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.001 179.721 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.42 121.71 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 O-C-N 123.424 0.452 . . . . 0.0 110.967 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -129.32 146.35 51.22 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.61 0.569 . . . . 0.0 111.206 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -129.15 128.93 44.41 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.795 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 49.8 t -128.01 -41.82 1.6 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.237 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 14.4 t 62.67 122.19 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.971 0.909 . . . . 0.0 111.759 -179.824 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -113.61 131.66 56.04 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.084 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 23.0 mmt -101.13 -40.54 7.14 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.061 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.84 -44.18 0.05 OUTLIER Pre-proline 0 CA--C 1.543 0.677 0 CA-C-O 118.78 -0.629 . . . . 0.0 112.432 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -72.68 157.28 52.47 Favored 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 122.414 2.076 . . . . 0.0 113.002 -179.736 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.84 -10.06 10.54 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.572 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -64.4 110.89 2.42 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.171 0.588 . . . . 0.0 111.849 -179.709 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 58.2 p -143.91 -116.96 0.09 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -97.97 -49.37 4.8 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 122.515 0.326 . . . . 0.0 111.45 -179.448 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -80.69 -9.58 59.79 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.662 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.78 -6.53 22.49 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.644 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.3 tt -94.34 -66.1 0.94 Allowed 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.67 1.188 . . . . 0.0 109.743 -178.913 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -57.81 -14.75 6.48 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 114.799 -1.092 . . . . 0.0 111.3 178.559 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -95.44 -38.04 10.64 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 124.986 1.314 . . . . 0.0 109.395 178.786 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -75.4 -12.75 60.32 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 122.126 0.965 . . . . 0.0 109.61 176.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -93.29 -44.05 8.5 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 112.895 -1.957 . . . . 0.0 106.74 178.277 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.37 -15.46 63.32 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 113.065 -1.879 . . . . 0.0 110.15 176.402 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.03 -25.83 16.32 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 177.316 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 34.6 tp -77.37 -37.22 52.65 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 113.707 -1.588 . . . . 0.0 109.97 178.307 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -76.74 -30.77 56.73 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 112.375 -2.193 . . . . 0.0 108.16 177.708 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -79.54 -30.65 41.83 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 113.311 -1.768 . . . . 0.0 106.671 175.401 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -84.71 -14.91 46.97 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 113.748 -1.569 . . . . 0.0 109.898 175.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 tt -84.2 -37.86 21.31 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 124.532 1.133 . . . . 0.0 109.259 178.468 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.35 -18.95 58.64 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 112.741 -2.027 . . . . 0.0 107.427 176.495 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.51 -19.89 20.13 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 112.591 -2.095 . . . . 0.0 106.868 177.301 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.03 -39.91 17.47 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 176.212 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -75.78 -29.18 58.69 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 113.024 -1.898 . . . . 0.0 108.511 177.174 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -82.4 -16.58 48.55 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 174.179 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.48 -23.01 19.26 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 113.626 -1.624 . . . . 0.0 107.515 176.166 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -90.01 -15.64 31.45 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 113.791 -1.55 . . . . 0.0 107.723 176.825 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.92 -21.98 19.5 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 176.272 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -36.36 22.82 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 112.655 -2.066 . . . . 0.0 106.277 176.255 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 12.0 tp -76.9 -28.17 55.24 Favored 'General case' 0 C--O 1.202 -1.402 0 CA-C-N 111.973 -2.376 . . . . 0.0 108.084 176.074 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.72 -20.47 35.97 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 176.746 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -89.24 -32.74 17.26 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 112.9 -1.955 . . . . 0.0 108.098 176.555 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -88.03 -16.16 34.39 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.251 177.085 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mt -57.14 -59.97 4.31 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.437 178.582 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -82.3 -41.54 19.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.007 179.442 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.313 -179.917 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 72.1 mtm . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.153 0.501 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -122.35 -0.1 9.38 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.171 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.94 -45.47 8.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.21 -178.285 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -96.06 -50.96 4.63 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.268 -1.333 . . . . 0.0 110.03 -178.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -31.45 72.67 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 113.719 -1.582 . . . . 0.0 111.952 -179.146 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -93.63 -10.9 33.01 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.407 1.067 . . . . 0.0 110.211 178.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.86 -23.3 22.82 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 175.728 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tp -91.12 -31.4 16.24 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 111.73 -2.486 . . . . 0.0 107.055 177.771 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.54 -19.19 39.11 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 113.439 -1.71 . . . . 0.0 107.382 175.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.33 -29.57 19.05 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 175.898 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -81.28 -19.21 43.48 Favored 'General case' 0 CA--C 1.512 -0.489 0 O-C-N 125.427 1.704 . . . . 0.0 107.056 176.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.88 -32.2 23.31 Favored 'General case' 0 N--CA 1.427 -1.603 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 175.561 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -79.6 -22.72 43.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 111.081 -2.781 . . . . 0.0 108.644 176.905 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -91.86 -18.36 23.91 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 175.551 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.32 -24.66 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 111.72 -2.491 . . . . 0.0 106.795 175.561 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.17 -33.44 20.82 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-N 112.59 -2.095 . . . . 0.0 106.385 176.862 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.96 -16.95 45.3 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 111.66 -2.518 . . . . 0.0 107.918 175.25 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -88.59 -25.63 22.37 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 174.924 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.17 -37.74 25.69 Favored 'General case' 0 N--CA 1.427 -1.575 0 CA-C-N 112.548 -2.115 . . . . 0.0 107.204 176.554 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -79.17 -16.56 56.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 112.356 -2.202 . . . . 0.0 109.109 176.236 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -30.27 19.2 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 104.393 -2.447 . . . . 0.0 104.393 175.016 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 tt -76.72 -40.74 47.65 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 112.452 -2.158 . . . . 0.0 106.491 174.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.7 -12.23 59.95 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 113.219 -1.81 . . . . 0.0 110.342 177.424 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.02 -31.71 66.45 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 124.683 1.193 . . . . 0.0 109.516 178.312 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 tt -72.95 -51.7 17.41 Favored 'General case' 0 C--O 1.213 -0.834 0 C-N-CA 126.065 1.746 . . . . 0.0 107.462 179.488 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.45 -21.05 66.19 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 112.164 -2.289 . . . . 0.0 107.792 174.411 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -82.11 -26.25 33.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 113.619 -1.628 . . . . 0.0 107.411 173.736 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.26 -40.59 12.06 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 114.077 -1.42 . . . . 0.0 108.823 175.725 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 6.8 mp -87.9 -56.11 3.48 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 113.784 -1.553 . . . . 0.0 114.267 -178.822 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -42.79 46.47 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -176.526 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.85 -4.64 39.04 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.93 -179.54 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -71.82 -34.56 69.42 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 122.522 0.329 . . . . 0.0 111.436 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 18.5 m120 62.78 130.22 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.182 0.993 . . . . 0.0 112.56 179.483 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 83.4 m -133.28 128.74 36.44 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.571 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.8 pp -110.48 -41.93 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.819 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -134.55 146.17 49.41 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.294 0.372 . . . . 0.0 110.792 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -99.99 117.73 34.89 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.901 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.6 tp -139.64 147.46 24.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.645 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -100.48 126.2 46.87 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -131.06 156.93 44.35 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.1 m -92.0 105.78 17.95 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 53.4 m -140.35 156.06 46.56 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.744 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -93.27 121.62 34.83 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.565 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 64.8 mtt -102.94 148.95 25.03 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.055 -179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.16 -46.04 0.06 OUTLIER Pre-proline 0 CA--C 1.543 0.698 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.288 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -77.91 151.71 27.89 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 122.313 2.009 . . . . 0.0 113.031 -179.726 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 33.5 mt -110.0 -11.01 14.69 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.832 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -75.1 99.1 3.84 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.187 -179.578 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 48.9 m -149.67 -65.58 0.22 Allowed 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.666 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -98.64 -70.1 0.74 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -177.799 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -90.58 -9.04 48.58 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -177.73 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.01 -7.56 16.12 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -179.386 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.7 tt -96.81 -69.64 0.75 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 123.873 0.869 . . . . 0.0 110.689 -179.557 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.8 -13.73 26.53 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 114.518 -1.219 . . . . 0.0 112.253 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -95.85 -40.3 9.39 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 124.391 1.077 . . . . 0.0 109.681 179.124 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -76.58 -12.47 60.02 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.834 0.826 . . . . 0.0 109.976 177.677 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.42 -43.08 8.93 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 113.433 -1.712 . . . . 0.0 106.604 178.009 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.1 -19.27 65.79 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 113.03 -1.896 . . . . 0.0 109.808 175.875 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.73 -24.85 17.68 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 114.273 -1.331 . . . . 0.0 108.24 177.699 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -85.76 -11.0 54.66 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.368 178.244 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -95.62 -31.84 13.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 112.776 -2.011 . . . . 0.0 106.539 178.738 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -29.68 23.68 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 112.518 -2.128 . . . . 0.0 107.492 176.38 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -81.68 -14.15 56.96 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.256 176.002 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 tp -82.49 -30.35 29.94 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 124.87 1.268 . . . . 0.0 110.298 178.118 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -18.72 35.46 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 127.103 2.161 . . . . 0.0 106.629 177.352 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.84 -18.71 20.94 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 112.265 -2.243 . . . . 0.0 106.422 176.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.04 -40.34 13.92 Favored 'General case' 0 C--N 1.346 0.414 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 175.882 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -75.09 -27.54 59.93 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 113.299 -1.773 . . . . 0.0 108.618 177.049 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -82.77 -17.29 44.71 Favored 'General case' 0 C--N 1.346 0.416 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 174.211 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.3 -22.93 19.46 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 113.37 -1.741 . . . . 0.0 107.526 176.255 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -90.83 -14.55 31.63 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 113.766 -1.561 . . . . 0.0 107.574 176.566 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.07 -21.84 19.48 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 105.839 -1.912 . . . . 0.0 105.839 175.902 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -36.03 23.05 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 112.619 -2.082 . . . . 0.0 106.42 176.186 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 tp -78.0 -27.75 49.08 Favored 'General case' 0 C--O 1.205 -1.255 0 CA-C-N 111.87 -2.423 . . . . 0.0 108.035 176.166 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.74 -20.57 35.71 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 176.701 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -89.31 -32.39 17.37 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 112.723 -2.035 . . . . 0.0 107.963 176.59 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -86.38 -18.78 30.92 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.891 177.061 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 mt -56.33 -59.83 4.39 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.4 178.591 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -81.71 -41.4 21.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.457 -1.247 . . . . 0.0 112.012 179.468 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.033 -0.984 . . . . 0.0 111.243 -179.949 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.405 0.145 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 55.8 -8.19 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.397 1.479 . . . . 0.0 114.452 -179.548 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.66 -42.76 8.61 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.863 0.84 . . . . 0.0 110.51 178.625 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -94.21 -38.77 10.88 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 113.167 -1.833 . . . . 0.0 109.093 -178.512 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -27.2 65.69 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 113.855 -1.52 . . . . 0.0 109.752 178.724 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -91.26 -15.43 29.2 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 113.83 -1.532 . . . . 0.0 109.634 177.348 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.14 -20.16 24.61 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 176.367 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tt -90.06 -36.32 14.97 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 111.586 -2.552 . . . . 0.0 106.314 177.577 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.37 -19.66 52.9 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 112.954 -1.93 . . . . 0.0 107.818 176.082 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.41 -29.19 19.23 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 175.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -81.29 -19.29 43.28 Favored 'General case' 0 CA--C 1.512 -0.488 0 O-C-N 125.511 1.757 . . . . 0.0 106.991 176.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.23 -31.96 22.88 Favored 'General case' 0 N--CA 1.427 -1.576 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 175.724 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -79.69 -23.21 42.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 111.043 -2.799 . . . . 0.0 108.677 176.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -92.21 -18.22 23.76 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 175.661 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.35 -24.17 25.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 111.644 -2.525 . . . . 0.0 106.792 175.471 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.21 -33.79 20.66 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 112.639 -2.073 . . . . 0.0 106.51 176.858 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.9 -17.38 43.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 111.687 -2.506 . . . . 0.0 107.746 175.392 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -88.28 -26.33 22.35 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 175.008 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.35 -38.0 27.38 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-N 112.638 -2.074 . . . . 0.0 107.391 176.656 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.47 -17.29 56.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 112.487 -2.142 . . . . 0.0 109.141 176.476 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.19 -29.97 18.9 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 104.587 -2.375 . . . . 0.0 104.587 175.245 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 tt -77.05 -40.94 44.45 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 112.539 -2.119 . . . . 0.0 106.644 174.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.54 -12.66 60.06 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 113.175 -1.83 . . . . 0.0 110.37 177.296 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.47 -26.64 61.89 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 124.834 1.254 . . . . 0.0 109.987 178.45 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 4.3 mp -80.64 -46.22 15.98 Favored 'General case' 0 CA--C 1.493 -1.219 0 CA-C-N 113.857 -1.52 . . . . 0.0 107.25 179.495 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.32 -21.94 64.73 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 112.601 -2.09 . . . . 0.0 107.293 174.482 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -76.6 -26.38 54.93 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 113.514 -1.676 . . . . 0.0 106.691 173.099 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.05 -38.7 10.52 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 113.706 -1.588 . . . . 0.0 109.105 175.782 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.65 -56.72 3.56 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 113.563 -1.653 . . . . 0.0 114.107 -178.591 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -43.41 27.39 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -176.551 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.3 -12.53 61.19 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -179.106 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -93.31 -12.85 29.06 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 122.299 0.24 . . . . 0.0 111.478 179.39 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 7.8 p30 49.67 -68.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 125.422 1.489 . . . . 0.0 114.357 179.643 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 82.9 m -96.35 119.02 34.07 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.894 0.378 . . . . 0.0 111.64 -179.364 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -148.73 -51.2 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.787 179.337 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 81.5 m -141.15 134.99 30.41 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.431 179.677 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -100.37 102.9 14.24 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.011 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 tp 48.11 -71.8 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 125.213 1.405 . . . . 0.0 113.75 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -113.67 156.58 23.49 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 122.457 0.303 . . . . 0.0 110.933 -179.886 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -92.81 144.45 25.27 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.994 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.6 m -98.71 -42.65 7.13 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.408 -179.734 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 53.4 m -121.9 141.48 51.24 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.37 0.419 . . . . 0.0 111.067 -179.842 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -129.13 130.59 46.62 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.757 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 65.4 mtt -128.47 -39.22 1.68 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.406 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.73 119.72 66.78 Favored Pre-proline 0 CA--C 1.541 0.614 0 O-C-N 123.442 0.464 . . . . 0.0 111.248 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.98 -72.01 0.03 OUTLIER 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 122.78 2.32 . . . . 0.0 113.996 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -117.21 -11.36 10.67 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.463 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -83.18 144.6 29.7 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.068 0.547 . . . . 0.0 111.786 -179.66 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 51.1 m 68.98 -30.37 0.19 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.419 1.088 . . . . 0.0 113.803 179.188 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -97.24 -68.9 0.78 Allowed 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.435 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -92.56 -9.72 40.18 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.378 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.95 -6.37 6.01 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.1 -65.71 0.97 Allowed 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 124.28 1.032 . . . . 0.0 108.836 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -55.85 -14.93 2.69 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 113.722 -1.581 . . . . 0.0 111.268 177.605 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -95.64 -39.55 9.85 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.0 1.32 . . . . 0.0 108.899 178.559 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -75.05 -12.97 60.44 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.44 177.095 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.05 -43.76 8.74 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 113.104 -1.862 . . . . 0.0 106.98 178.103 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.17 -18.67 65.49 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 113.121 -1.854 . . . . 0.0 109.649 175.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.07 -25.78 16.32 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 114.146 -1.388 . . . . 0.0 108.1 177.51 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -85.74 -10.69 55.18 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 114.204 -1.362 . . . . 0.0 109.344 178.651 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -94.44 -29.38 14.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 113.1 -1.864 . . . . 0.0 106.269 178.734 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -84.85 -28.81 25.79 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 112.516 -2.129 . . . . 0.0 106.589 175.255 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -86.36 -13.68 45.72 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 114.106 -1.407 . . . . 0.0 109.65 175.817 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 35.6 tp -81.02 -35.39 31.96 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.929 1.291 . . . . 0.0 111.089 179.09 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -18.6 42.53 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 111.579 -2.555 . . . . 0.0 106.894 177.414 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.73 -18.65 21.08 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 112.386 -2.188 . . . . 0.0 106.328 177.074 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.12 -38.97 14.94 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 112.663 -2.062 . . . . 0.0 105.519 175.923 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -75.58 -28.46 58.96 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 112.729 -2.032 . . . . 0.0 108.726 177.197 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -82.75 -16.53 47.6 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 174.06 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -92.21 -23.68 19.28 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 113.552 -1.658 . . . . 0.0 107.704 176.086 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -89.53 -15.71 32.34 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 113.741 -1.572 . . . . 0.0 107.619 176.607 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.99 -21.94 19.47 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 176.274 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.9 -36.38 23.38 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 112.762 -2.017 . . . . 0.0 106.396 176.133 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 7.9 tp -76.64 -28.79 56.19 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 111.924 -2.398 . . . . 0.0 108.094 176.185 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.81 -20.44 35.73 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 176.828 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -89.16 -33.2 17.13 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 112.875 -1.966 . . . . 0.0 107.892 176.611 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -85.25 -17.07 38.1 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.695 176.849 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.93 -59.54 4.9 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.164 178.056 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -82.2 -41.48 20.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.48 -1.236 . . . . 0.0 112.024 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.386 -179.871 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 22.6 mmt . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.831 0.348 . . . . 0.0 111.586 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.17 -1.23 11.9 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.11 0.564 . . . . 0.0 111.046 179.366 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.89 -43.81 9.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.184 -177.829 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -96.45 -54.09 3.38 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.449 -1.25 . . . . 0.0 110.281 -178.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -32.25 73.71 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 113.672 -1.604 . . . . 0.0 112.558 -178.858 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -92.64 -11.21 34.78 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 124.278 0.986 . . . . 0.0 110.126 178.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.57 -22.06 22.56 Favored 'General case' 0 C--O 1.226 -0.139 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 175.506 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.15 -28.98 16.74 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 111.893 -2.412 . . . . 0.0 106.912 177.743 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.61 -20.2 31.78 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 113.368 -1.742 . . . . 0.0 107.412 176.414 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -29.91 17.96 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 106.144 -1.798 . . . . 0.0 106.144 175.937 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -81.18 -19.89 42.38 Favored 'General case' 0 CA--C 1.509 -0.621 0 O-C-N 125.459 1.724 . . . . 0.0 106.914 176.733 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.35 -34.81 28.32 Favored 'General case' 0 N--CA 1.421 -1.895 0 N-CA-C 105.44 -2.059 . . . . 0.0 105.44 175.332 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -78.35 -19.86 52.55 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 111.505 -2.589 . . . . 0.0 108.612 176.79 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -91.29 -17.75 25.45 Favored 'General case' 0 CA--C 1.495 -1.162 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 174.668 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -88.41 -23.93 23.19 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 111.373 -2.648 . . . . 0.0 107.268 175.392 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -89.48 -27.5 20.29 Favored 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 176.378 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.56 -18.07 32.43 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 111.522 -2.581 . . . . 0.0 107.683 175.221 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.17 -24.35 22.2 Favored 'General case' 0 C--N 1.348 0.516 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 175.046 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.22 -37.42 23.61 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 112.735 -2.029 . . . . 0.0 107.311 176.407 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.85 -20.96 52.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 112.344 -2.207 . . . . 0.0 109.001 176.324 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -30.18 21.4 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 175.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tt -72.83 -40.01 66.11 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 173.806 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.75 -19.52 62.02 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 113.258 -1.792 . . . . 0.0 110.601 177.681 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -70.07 -46.16 65.52 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-O 122.51 1.148 . . . . 0.0 108.12 177.053 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mp -56.42 -52.0 66.27 Favored 'General case' 0 C--O 1.204 -1.336 0 CA-C-N 111.405 -2.634 . . . . 0.0 109.023 177.689 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.48 -23.61 66.29 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 125.63 1.831 . . . . 0.0 108.442 175.931 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -79.95 -25.77 40.3 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.664 -1.607 . . . . 0.0 107.347 174.101 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.0 -32.19 13.27 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 114.288 -1.324 . . . . 0.0 108.833 175.819 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.86 -53.74 5.38 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 113.736 -1.575 . . . . 0.0 112.788 -179.848 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.55 -46.44 7.96 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -177.046 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.63 -7.95 51.0 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -178.057 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -90.73 -34.5 15.34 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.867 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 m120 71.87 -41.37 0.5 Allowed 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.335 1.054 . . . . 0.0 112.525 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 49.2 t -88.45 145.29 25.85 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 122.465 0.306 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.6 pt -101.98 -42.94 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.042 -179.48 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 42.6 t -91.53 137.92 31.98 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.404 0.44 . . . . 0.0 111.438 -179.545 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -128.73 151.29 49.71 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.695 179.803 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 pt -124.21 -46.08 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.916 -179.767 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -99.34 149.31 23.28 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.45 0.469 . . . . 0.0 111.241 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -124.74 151.7 44.74 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.626 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 80.5 m -97.8 -51.63 4.02 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.502 -179.695 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 17.0 t -138.54 -46.63 0.5 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.256 0.347 . . . . 0.0 111.086 -179.846 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -102.54 139.07 38.62 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.363 0.414 . . . . 0.0 110.929 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 9.6 ttt -99.43 126.92 45.44 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.379 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.57 158.58 37.0 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.239 -179.851 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -70.04 -177.04 1.77 Allowed 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.612 2.208 . . . . 0.0 112.562 179.639 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -78.43 -10.31 59.64 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -94.12 150.22 20.52 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.934 -179.707 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 64.7 p -126.09 -32.54 2.74 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.446 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -97.49 -42.33 7.76 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.674 -179.713 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -77.48 -7.5 56.33 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.179 179.202 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.46 -32.55 8.05 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.344 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 11.0 mp -96.16 -64.34 1.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.359 1.064 . . . . 0.0 111.173 -178.448 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -60.21 -15.62 26.02 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.764 179.382 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -94.68 -34.27 12.63 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.397 1.079 . . . . 0.0 108.451 178.322 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -76.5 -12.49 60.04 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 122.394 1.092 . . . . 0.0 108.611 175.599 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 tt -93.23 -45.51 7.82 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 112.529 -2.123 . . . . 0.0 106.462 178.686 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.52 -17.02 64.07 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 113.513 -1.676 . . . . 0.0 110.155 176.574 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.69 -23.95 18.04 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 177.254 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -79.87 -30.53 40.24 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 113.791 -1.55 . . . . 0.0 109.547 178.388 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -84.1 -29.73 26.54 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 126.372 1.869 . . . . 0.0 107.468 179.031 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -80.24 -25.83 39.36 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 174.539 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -76.73 -30.48 56.63 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 113.349 -1.75 . . . . 0.0 108.802 175.543 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.62 -48.18 81.87 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 123.746 1.736 . . . . 0.0 109.023 176.3 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -26.84 2.98 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-N 112.792 -2.004 . . . . 0.0 108.331 176.604 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.18 -35.29 8.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 112.675 -2.057 . . . . 0.0 112.551 176.385 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.57 -47.84 8.0 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.235 1.014 . . . . 0.0 110.062 -176.716 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -71.06 -25.72 62.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.279 -1.328 . . . . 0.0 108.21 176.52 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -80.22 -26.16 39.26 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 174.545 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.39 -22.01 30.62 Favored 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 125.066 1.479 . . . . 0.0 108.144 176.624 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -86.05 -14.17 45.18 Favored 'General case' 0 C--N 1.341 0.237 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 175.145 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.3 -24.65 18.07 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 112.799 -2.0 . . . . 0.0 106.741 176.156 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -84.99 -30.23 24.37 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 106.138 -1.801 . . . . 0.0 106.138 175.678 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 14.4 tp -78.9 -31.52 45.4 Favored 'General case' 0 C--O 1.206 -1.234 0 CA-C-N 111.767 -2.469 . . . . 0.0 107.951 175.922 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -82.07 -20.31 38.47 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 177.082 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -87.48 -31.66 19.86 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 112.91 -1.95 . . . . 0.0 107.509 176.259 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -87.04 -16.15 36.5 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.827 176.324 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 9.3 tt -65.63 -60.08 3.28 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.218 178.672 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -82.15 -44.28 16.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.725 -1.125 . . . . 0.0 112.349 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.075 -0.964 . . . . 0.0 111.124 -179.991 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.881 0.372 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -122.72 -13.01 8.01 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.108 178.851 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.39 -15.74 28.5 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.209 1.403 . . . . 0.0 110.655 -178.78 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -92.58 -31.26 15.25 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 179.187 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.04 -24.95 26.18 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 112.88 -1.964 . . . . 0.0 108.199 177.134 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -87.68 -17.32 32.06 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 113.924 -1.489 . . . . 0.0 109.939 177.124 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.0 -21.83 23.3 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 106.185 -1.783 . . . . 0.0 106.185 176.591 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tt -88.65 -36.47 16.22 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 111.532 -2.576 . . . . 0.0 106.694 177.434 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.88 -20.72 52.46 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 113.116 -1.856 . . . . 0.0 108.065 176.311 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -28.77 19.42 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 176.136 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -80.85 -20.38 42.49 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 125.409 1.693 . . . . 0.0 106.815 176.722 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.22 -35.32 23.56 Favored 'General case' 0 N--CA 1.419 -1.976 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 175.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -78.86 -19.7 51.36 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 111.962 -2.381 . . . . 0.0 109.074 176.87 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.23 -19.39 24.22 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 174.926 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.78 -33.09 23.07 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 111.131 -2.759 . . . . 0.0 106.872 175.808 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -82.4 -27.12 32.22 Favored 'General case' 0 CA--C 1.49 -1.338 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 177.052 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.55 -19.25 35.99 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 112.107 -2.315 . . . . 0.0 107.265 175.383 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 tt -86.24 -38.57 17.46 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 113.72 -1.582 . . . . 0.0 106.84 175.532 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.04 -31.32 62.84 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 113.249 -1.796 . . . . 0.0 107.336 175.935 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.95 -19.25 44.57 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 112.916 -1.947 . . . . 0.0 109.017 175.841 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.03 -31.17 19.44 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 104.697 -2.334 . . . . 0.0 104.697 175.758 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tt -74.61 -42.75 58.08 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 112.713 -2.039 . . . . 0.0 106.139 175.071 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.34 -14.49 61.75 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 113.556 -1.657 . . . . 0.0 110.421 176.678 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.09 -28.41 48.71 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.558 1.143 . . . . 0.0 109.315 178.559 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tt -75.31 -46.49 33.05 Favored 'General case' 0 C--O 1.215 -0.722 0 C-N-CA 125.934 1.693 . . . . 0.0 107.693 179.094 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.6 -22.72 65.35 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 112.124 -2.307 . . . . 0.0 107.792 175.589 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -83.28 -36.49 24.45 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 113.039 -1.891 . . . . 0.0 107.666 174.257 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.71 -35.49 65.14 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 175.584 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.98 -45.71 63.57 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 112.469 -2.15 . . . . 0.0 109.643 176.882 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -37.8 74.15 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.574 178.753 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.3 -19.34 65.46 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 114.348 -1.296 . . . . 0.0 112.625 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 11.0 t-105 -93.82 -31.37 14.39 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.926 179.601 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 p30 46.5 -86.5 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.932 1.293 . . . . 0.0 113.708 -179.867 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 83.4 m -146.38 -43.63 0.19 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.657 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.2 pp -92.07 153.09 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 123.318 0.386 . . . . 0.0 111.885 -179.375 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 49.5 t -113.97 -8.67 13.07 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.504 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 2.7 t70 66.01 154.36 0.08 Allowed 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.168 0.987 . . . . 0.0 111.839 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.5 pp -92.37 -30.56 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.024 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -88.75 -38.63 14.54 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.142 0.276 . . . . 0.0 111.438 179.357 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 18.4 m120 63.98 143.85 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.985 0.914 . . . . 0.0 112.424 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 25.3 p -97.8 -39.17 9.15 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.276 179.874 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 54.7 m -96.53 147.93 23.34 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.489 0.493 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -106.54 -8.82 16.85 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.732 -179.863 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 65.9 mtt -91.0 141.64 28.63 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.154 -179.853 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.79 113.66 24.74 Favored Pre-proline 0 CA--C 1.541 0.62 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.098 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -66.79 158.3 56.98 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.62 2.213 . . . . 0.0 112.95 179.589 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 5.9 mp -86.13 -16.17 38.78 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.938 -0.573 . . . . 0.0 112.16 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -92.66 109.47 20.89 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 123.092 0.557 . . . . 0.0 110.951 179.795 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 49.4 m -140.7 -75.35 0.33 Allowed 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.074 -179.676 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -98.55 -67.57 0.84 Allowed 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.531 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -92.15 -8.94 44.17 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -178.106 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.61 -7.52 15.66 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.426 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tt -96.68 -68.61 0.79 Allowed 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.713 0.805 . . . . 0.0 111.113 -178.934 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.23 -12.76 54.78 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 114.161 -1.382 . . . . 0.0 111.909 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -95.22 -37.91 10.8 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.328 1.051 . . . . 0.0 109.116 179.283 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 39.0 mttp -75.63 -12.87 60.29 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.91 0.862 . . . . 0.0 109.337 176.625 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 11.9 tp -93.52 -41.89 9.53 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 126.257 1.823 . . . . 0.0 106.989 178.026 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.52 -17.07 63.55 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 113.886 -1.506 . . . . 0.0 109.679 176.618 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.44 -26.36 17.25 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-N 114.214 -1.357 . . . . 0.0 108.184 177.717 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.76 -11.53 50.78 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 124.701 1.25 . . . . 0.0 109.374 178.68 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -95.63 -33.88 12.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.109 -1.859 . . . . 0.0 106.474 178.445 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.15 -29.84 34.6 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 112.36 -2.2 . . . . 0.0 107.439 176.257 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -82.88 -14.43 54.25 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.216 176.361 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.88 -23.13 24.05 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-O 122.151 0.977 . . . . 0.0 110.33 178.692 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.58 -18.71 23.65 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 112.313 -2.222 . . . . 0.0 105.978 178.187 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.45 -23.97 17.51 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 112.151 -2.295 . . . . 0.0 107.301 177.634 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.23 -40.5 17.99 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 175.85 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -70.74 -30.37 66.87 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 113.543 -1.662 . . . . 0.0 108.341 176.123 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.79 -26.59 49.8 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 174.591 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -84.93 -22.81 29.1 Favored 'General case' 0 CA--C 1.51 -0.575 0 O-C-N 125.024 1.453 . . . . 0.0 108.26 176.926 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -84.24 -14.41 50.03 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 174.929 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.29 -25.17 17.88 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 112.764 -2.016 . . . . 0.0 106.734 176.339 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -86.16 -29.49 23.22 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 175.808 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 8.4 tp -79.74 -30.64 40.92 Favored 'General case' 0 C--O 1.208 -1.131 0 CA-C-N 111.992 -2.367 . . . . 0.0 107.941 175.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.73 -20.38 36.1 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 176.856 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.16 -32.49 17.46 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 112.961 -1.927 . . . . 0.0 107.998 176.664 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -86.33 -18.14 32.71 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.857 176.714 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.73 -59.97 4.23 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.676 0.61 . . . . 0.0 112.351 178.486 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -87.95 -42.05 12.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.633 179.337 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.208 0 C-N-CA 124.459 1.104 . . . . 0.0 112.293 179.98 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 38.0 mmt . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 120.26 0.076 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -86.73 0.74 54.11 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.494 0.718 . . . . 0.0 111.472 -179.783 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.33 -16.07 26.51 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.905 1.282 . . . . 0.0 109.654 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -92.26 -47.32 7.27 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 179.245 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.04 -26.21 65.76 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 112.971 -1.922 . . . . 0.0 109.137 176.536 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -89.11 -16.68 30.91 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.999 1.437 . . . . 0.0 110.54 177.743 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.11 -23.26 23.73 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 106.783 -1.562 . . . . 0.0 106.783 177.169 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tp -91.56 -31.06 16.06 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 111.833 -2.439 . . . . 0.0 107.258 177.855 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.17 -21.0 36.74 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 113.425 -1.716 . . . . 0.0 107.711 176.121 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -29.24 18.62 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 176.211 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -81.01 -20.24 42.21 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 125.4 1.687 . . . . 0.0 106.799 176.716 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.87 -35.59 26.11 Favored 'General case' 0 N--CA 1.421 -1.894 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 175.59 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -79.06 -19.52 51.17 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 111.935 -2.393 . . . . 0.0 109.014 177.003 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -91.24 -18.28 24.66 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 174.918 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -84.86 -33.88 22.75 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 111.242 -2.708 . . . . 0.0 106.757 175.635 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -83.16 -26.92 30.46 Favored 'General case' 0 CA--C 1.491 -1.309 0 CA-C-N 113.556 -1.656 . . . . 0.0 106.812 177.278 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.17 -17.29 37.63 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 112.134 -2.303 . . . . 0.0 107.455 175.549 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 tt -84.57 -39.85 18.26 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 175.025 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.12 -31.66 58.75 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 112.961 -1.927 . . . . 0.0 107.949 176.774 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.0 -19.47 40.41 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 113.314 -1.767 . . . . 0.0 109.233 176.425 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.37 -32.92 19.34 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 104.534 -2.395 . . . . 0.0 104.534 175.731 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 tt -72.7 -45.69 57.51 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 112.727 -2.033 . . . . 0.0 106.08 174.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.07 -14.14 62.53 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 113.724 -1.58 . . . . 0.0 110.687 177.765 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.28 -24.53 39.97 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.605 1.162 . . . . 0.0 109.879 178.696 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 tt -85.95 -42.24 14.21 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 113.701 -1.59 . . . . 0.0 108.608 179.766 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.95 -26.72 60.64 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-N 112.986 -1.915 . . . . 0.0 108.351 177.068 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -84.02 -29.96 26.51 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 113.937 -1.483 . . . . 0.0 107.408 174.862 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.86 -40.03 69.27 Favored 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 174.744 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.12 -45.85 66.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 111.788 -2.46 . . . . 0.0 110.007 177.038 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -41.97 96.17 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.544 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.21 -6.27 56.22 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.758 -179.798 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.32 -42.78 9.13 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.064 0.228 . . . . 0.0 111.161 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 70.15 -51.72 0.64 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.456 1.102 . . . . 0.0 112.752 179.76 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 28.6 p 49.92 107.6 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.587 1.155 . . . . 0.0 113.011 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 tp -128.68 -33.04 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.25 -179.819 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 78.4 m -91.13 145.08 24.98 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.38 0.425 . . . . 0.0 111.042 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -96.58 -43.29 7.65 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.362 -179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 pp -111.31 128.37 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 O-C-N 123.286 0.366 . . . . 0.0 111.4 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -132.74 152.22 51.8 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -95.59 -42.93 8.17 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.904 179.821 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 49.1 t -116.69 125.96 52.49 Favored 'General case' 0 C--O 1.236 0.386 0 O-C-N 123.501 0.5 . . . . 0.0 110.561 179.814 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 15.3 t -129.76 -40.93 1.35 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.169 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 18.4 m120 71.59 -48.91 0.68 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.396 1.078 . . . . 0.0 112.175 -179.752 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 18.9 ptm -125.8 124.04 40.09 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.191 0.307 . . . . 0.0 110.878 179.65 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.82 105.16 35.46 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.071 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.7 160.02 51.28 Favored 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 122.646 2.23 . . . . 0.0 112.687 179.376 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 18.5 mt -91.14 -13.41 33.04 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.89 -179.932 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -79.53 113.96 18.08 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.119 0.568 . . . . 0.0 111.131 -179.829 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -135.61 -110.06 0.21 Allowed 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.942 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -98.8 -49.18 4.66 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.446 0.299 . . . . 0.0 111.606 -179.569 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -88.83 -8.15 54.86 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.059 -179.181 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.91 -12.3 15.2 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -179.076 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 tt -97.33 -69.79 0.74 Allowed 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.263 0.625 . . . . 0.0 111.348 -178.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.48 -13.08 37.0 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 114.565 -1.198 . . . . 0.0 112.238 -179.561 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -95.91 -40.4 9.32 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.453 1.101 . . . . 0.0 109.733 179.241 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -76.73 -12.15 59.95 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 121.751 0.786 . . . . 0.0 109.894 177.804 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.33 -43.81 8.61 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-N 113.392 -1.731 . . . . 0.0 106.728 177.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.19 -18.86 65.61 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 113.212 -1.813 . . . . 0.0 109.912 176.044 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.73 -26.36 17.04 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.354 177.736 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -86.26 -10.94 53.62 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.553 178.724 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -95.04 -29.86 14.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 113.221 -1.809 . . . . 0.0 106.216 178.009 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.4 -29.92 27.76 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 112.507 -2.133 . . . . 0.0 106.91 175.608 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -85.2 -13.92 48.45 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.553 175.856 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 tt -83.91 -37.36 22.46 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 124.92 1.288 . . . . 0.0 109.351 178.68 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -18.8 57.89 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 112.448 -2.16 . . . . 0.0 107.411 176.415 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.64 -19.79 20.14 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 112.564 -2.107 . . . . 0.0 106.72 177.435 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.59 -40.11 16.61 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 112.812 -1.995 . . . . 0.0 105.673 176.126 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -75.79 -27.33 57.96 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 113.035 -1.893 . . . . 0.0 108.502 177.092 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -82.76 -17.2 45.06 Favored 'General case' 0 C--N 1.345 0.411 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 174.261 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -92.22 -24.22 19.1 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 113.47 -1.695 . . . . 0.0 107.734 175.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -89.51 -14.55 34.97 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 113.767 -1.56 . . . . 0.0 107.715 176.731 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.02 -21.93 19.46 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 176.033 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.19 -36.09 23.06 Favored 'General case' 0 N--CA 1.426 -1.648 0 CA-C-N 112.586 -2.097 . . . . 0.0 106.284 176.174 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 12.6 tp -77.82 -27.68 50.1 Favored 'General case' 0 C--O 1.203 -1.353 0 CA-C-N 111.867 -2.424 . . . . 0.0 108.08 176.147 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.32 -19.71 35.7 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 176.507 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -88.83 -33.16 17.48 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 112.591 -2.095 . . . . 0.0 107.984 176.494 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -88.69 -16.75 31.54 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.423 -1.262 . . . . 0.0 110.481 177.263 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mt -57.89 -60.34 3.86 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.23 0.538 . . . . 0.0 112.372 178.756 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -89.95 -42.6 11.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.683 179.251 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.224 0 C-N-CA 124.416 1.086 . . . . 0.0 112.252 -179.859 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 63.3 mtt . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 111.317 0.117 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -83.62 -2.82 56.94 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 123.367 0.667 . . . . 0.0 111.76 -179.585 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.55 -16.19 27.54 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.8 1.24 . . . . 0.0 109.994 -179.503 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -92.89 -35.13 13.51 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.175 -1.375 . . . . 0.0 107.289 179.29 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.31 -25.22 36.63 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 113.01 -1.904 . . . . 0.0 108.348 177.199 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -89.31 -16.82 30.21 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.42 177.809 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -23.95 23.88 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 177.006 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp -90.32 -31.08 17.07 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 111.986 -2.37 . . . . 0.0 107.042 177.663 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.9 -19.35 37.52 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 113.454 -1.703 . . . . 0.0 107.986 176.232 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -22.22 19.2 Favored 'General case' 0 C--N 1.344 0.341 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 176.113 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -86.55 -22.19 26.47 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 113.007 -1.906 . . . . 0.0 106.405 176.011 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.24 -38.63 18.7 Favored 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 113.068 -1.878 . . . . 0.0 106.659 176.567 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -77.41 -16.83 58.62 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 112.62 -2.082 . . . . 0.0 108.37 176.921 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.9 -31.48 23.67 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 175.088 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -78.07 -33.26 50.92 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 110.75 -2.932 . . . . 0.0 107.918 176.901 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -82.32 -23.68 34.99 Favored 'General case' 0 CA--C 1.489 -1.375 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 177.217 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.24 -17.61 34.27 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 111.729 -2.487 . . . . 0.0 107.061 174.718 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -91.31 -26.35 18.99 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 176.157 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.89 -32.76 20.03 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 176.192 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -79.77 -14.95 58.35 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 113.047 -1.888 . . . . 0.0 109.355 176.052 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.31 -31.77 13.29 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 105.147 -2.168 . . . . 0.0 105.147 175.92 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 tt -76.78 -45.53 28.55 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 112.959 -1.928 . . . . 0.0 107.964 176.132 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.77 -12.71 60.23 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 114.275 -1.329 . . . . 0.0 111.14 178.772 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -26.41 53.22 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.116 0.967 . . . . 0.0 109.633 178.471 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.72 -46.05 16.14 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 113.073 -1.876 . . . . 0.0 108.295 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.33 -23.78 59.1 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 113.591 -1.641 . . . . 0.0 108.068 175.867 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -79.72 -22.43 43.34 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 174.082 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.43 -42.61 9.66 Favored 'General case' 0 N--CA 1.423 -1.807 0 CA-C-N 113.75 -1.568 . . . . 0.0 109.341 175.8 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.92 -52.93 5.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 113.614 -1.63 . . . . 0.0 113.959 -178.654 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.06 -41.95 18.02 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -176.299 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.11 -39.28 63.46 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -179.19 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 8.3 t-105 -93.72 -38.82 11.1 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.226 0.328 . . . . 0.0 111.551 -179.614 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 23.2 m120 64.74 136.25 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.952 0.901 . . . . 0.0 112.14 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 76.3 m -125.07 156.78 37.69 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.15 -179.787 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.96 116.03 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.955 179.909 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 81.3 m -126.87 -7.88 6.09 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.702 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -91.46 -38.14 12.74 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.536 -179.859 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 mp -94.98 -49.92 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 123.364 0.415 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -100.29 130.02 46.35 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.8 179.839 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -107.24 152.16 24.48 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 78.8 m -97.92 154.21 17.82 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.949 179.88 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 48.8 m -91.63 -42.29 10.27 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.518 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -106.04 123.16 47.55 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.397 0.435 . . . . 0.0 110.705 179.778 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 64.8 mtt -131.42 127.72 38.04 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.37 -48.96 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.713 0 CA-C-O 118.847 -0.597 . . . . 0.0 111.978 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -77.94 151.82 27.88 Favored 'Trans proline' 0 C--N 1.382 2.297 0 C-N-CA 122.355 2.037 . . . . 0.0 112.804 -179.9 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 23.8 mt -107.35 -13.09 15.19 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.821 -179.819 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -88.41 96.27 10.53 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.255 -179.351 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 13.4 t -156.95 -52.42 0.08 Allowed 'General case' 0 C--N 1.347 0.457 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.962 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -98.06 -70.88 0.71 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.013 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -92.63 -44.51 8.55 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.631 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.54 -6.43 5.16 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -179.185 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.3 tt -94.19 -64.15 1.11 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.0 1.32 . . . . 0.0 109.036 -179.536 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -60.5 -13.37 13.44 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 114.36 -1.291 . . . . 0.0 111.235 178.413 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -95.55 -38.73 10.29 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.785 1.234 . . . . 0.0 109.139 178.632 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -75.05 -13.64 60.51 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-O 121.954 0.883 . . . . 0.0 109.823 177.201 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 mp -93.24 -44.37 8.36 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-N 113.15 -1.841 . . . . 0.0 106.56 178.245 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.78 -17.91 64.96 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 113.268 -1.787 . . . . 0.0 110.081 176.32 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.6 -27.34 15.96 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 114.476 -1.238 . . . . 0.0 108.519 178.001 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.93 -11.4 50.75 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.924 179.353 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -94.34 -33.05 13.34 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 111.312 -2.676 . . . . 0.0 106.685 178.123 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -27.82 34.24 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 112.621 -2.081 . . . . 0.0 106.868 175.298 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -86.35 -14.5 43.33 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.572 176.319 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.02 -22.65 22.88 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-O 122.123 0.964 . . . . 0.0 110.075 178.463 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.89 -18.63 24.46 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 112.162 -2.29 . . . . 0.0 105.928 178.167 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.68 -24.74 17.03 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 112.203 -2.271 . . . . 0.0 107.34 177.365 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.98 -39.93 17.51 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 175.906 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -70.05 -31.39 68.98 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 113.689 -1.596 . . . . 0.0 108.179 175.869 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -77.48 -26.63 51.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 174.566 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.49 -19.8 30.66 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 125.011 1.444 . . . . 0.0 108.036 176.801 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -86.69 -14.23 43.12 Favored 'General case' 0 C--N 1.345 0.388 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 174.717 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.37 -24.5 18.07 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 112.568 -2.105 . . . . 0.0 106.785 176.258 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -86.03 -29.14 23.68 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 175.573 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.9 tp -80.72 -30.46 36.26 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 111.864 -2.425 . . . . 0.0 107.924 175.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.87 -19.99 36.4 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 176.778 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -86.15 -32.82 21.08 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 112.781 -2.009 . . . . 0.0 107.635 176.129 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -88.19 -16.41 33.38 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.259 -1.337 . . . . 0.0 110.191 176.79 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 55.7 tp -58.36 -59.64 5.03 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.128 178.78 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -89.75 -42.3 11.38 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.737 179.65 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.163 0 C-N-CA 124.458 1.103 . . . . 0.0 112.314 -179.792 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptt? . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 120.996 0.427 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -116.84 -4.3 11.6 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.012 0.525 . . . . 0.0 111.877 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.38 -43.57 9.16 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -177.86 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -96.06 -51.78 4.3 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.507 -178.43 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.98 -32.05 73.03 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 114.017 -1.447 . . . . 0.0 112.15 -178.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -90.43 -12.82 36.3 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.21 0.944 . . . . 0.0 110.175 178.566 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.19 -21.4 23.3 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 175.492 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tt -89.41 -36.39 15.5 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 111.382 -2.645 . . . . 0.0 106.733 177.661 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.04 -20.24 52.8 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 113.189 -1.823 . . . . 0.0 107.983 176.305 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -29.36 18.88 Favored 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 175.933 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -80.1 -21.03 43.75 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 125.536 1.772 . . . . 0.0 106.867 176.766 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.71 -35.16 26.96 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 175.788 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -78.01 -19.98 53.39 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 111.736 -2.484 . . . . 0.0 108.611 176.789 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -91.68 -17.6 25.23 Favored 'General case' 0 CA--C 1.494 -1.174 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 174.703 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -88.89 -22.95 22.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 111.483 -2.598 . . . . 0.0 107.433 175.485 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -90.17 -27.03 19.84 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 176.388 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.25 -17.87 29.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 111.274 -2.694 . . . . 0.0 107.606 175.353 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.95 -23.83 21.45 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 105.817 -1.92 . . . . 0.0 105.817 175.058 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.15 -37.81 25.64 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 112.828 -1.987 . . . . 0.0 107.384 176.27 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.49 -18.7 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 112.383 -2.19 . . . . 0.0 109.06 176.416 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.71 -30.76 18.85 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 104.415 -2.439 . . . . 0.0 104.415 175.687 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 tt -72.98 -42.49 63.25 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 112.819 -1.991 . . . . 0.0 105.977 174.549 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.77 -14.61 61.57 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 113.296 -1.775 . . . . 0.0 110.482 177.44 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.39 -26.83 52.17 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 124.531 1.132 . . . . 0.0 110.212 178.702 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.81 -28.37 33.18 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 125.558 1.543 . . . . 0.0 109.206 179.241 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -84.73 -22.95 29.51 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 111.724 -2.489 . . . . 0.0 106.58 176.911 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -86.24 -33.28 20.76 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 112.444 -2.162 . . . . 0.0 107.935 174.921 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.54 -35.12 65.49 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 174.782 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -43.02 75.4 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 112.096 -2.32 . . . . 0.0 109.688 176.365 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -73.7 0.15 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 114.518 -1.219 . . . . 0.0 113.386 -179.697 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.78 -48.2 15.29 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 113.164 -1.835 . . . . 0.0 114.796 -177.268 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 21.9 t-105 -73.55 -13.09 60.97 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -177.75 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -117.66 134.16 55.18 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.701 0.286 . . . . 0.0 111.061 179.258 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 78.2 m -110.61 161.88 15.28 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 tp -84.24 -21.64 8.29 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.484 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 82.0 m -94.88 155.1 16.92 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 179.82 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -91.49 125.46 36.24 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.159 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 pp -142.73 159.42 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.387 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -93.78 134.35 36.22 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -99.23 150.12 22.4 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.042 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 49.5 t -98.54 154.79 17.65 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 19.5 m 62.98 160.15 0.08 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.98 0.912 . . . . 0.0 112.297 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -86.41 137.33 32.65 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.259 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 18.8 ptp -97.11 151.85 19.36 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.358 -179.637 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.86 -44.76 0.28 Allowed Pre-proline 0 CA--C 1.544 0.725 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.329 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -71.62 156.01 58.21 Favored 'Trans proline' 0 C--N 1.381 2.281 0 C-N-CA 122.355 2.036 . . . . 0.0 112.77 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 19.0 mt -104.74 -19.31 13.97 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.27 -179.553 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -75.08 101.26 4.47 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.111 0.564 . . . . 0.0 111.719 -179.503 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 49.2 m -141.75 -69.43 0.37 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.914 -179.662 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -98.22 -70.92 0.71 Allowed 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -179.231 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -92.97 -35.33 13.35 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.917 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.34 -5.78 2.71 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -179.136 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.8 mt -90.86 -64.19 1.16 Allowed 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 124.183 0.993 . . . . 0.0 109.383 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -59.5 -13.25 8.24 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 114.513 -1.222 . . . . 0.0 110.73 177.188 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -95.41 -36.3 11.4 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.107 1.363 . . . . 0.0 108.706 178.504 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -74.19 -13.3 60.78 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 122.11 0.957 . . . . 0.0 109.273 176.155 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -93.19 -43.62 8.75 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 112.871 -1.968 . . . . 0.0 106.701 178.156 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.94 -18.51 65.39 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 113.069 -1.878 . . . . 0.0 109.855 176.009 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.99 -25.38 16.53 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.048 -1.433 . . . . 0.0 108.206 177.583 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -86.4 -10.83 53.52 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.159 178.55 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -94.37 -29.81 14.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.266 -1.788 . . . . 0.0 106.733 178.383 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -28.12 24.25 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 112.674 -2.057 . . . . 0.0 107.2 175.806 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -91.45 -13.61 31.97 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.449 -1.25 . . . . 0.0 109.797 176.711 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 26.5 tp -76.16 -40.11 53.33 Favored 'General case' 0 C--O 1.204 -1.339 0 C-N-CA 125.423 1.489 . . . . 0.0 111.169 178.904 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -16.55 54.9 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 112.208 -2.269 . . . . 0.0 107.898 178.617 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.18 -28.09 14.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 112.876 -1.965 . . . . 0.0 109.154 178.797 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.65 -38.79 12.87 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.34 -1.3 . . . . 0.0 107.562 178.128 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -71.77 -27.3 62.87 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 114.137 -1.392 . . . . 0.0 108.551 176.235 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -81.18 -19.07 44.14 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 174.012 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -92.72 -25.12 18.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 113.431 -1.713 . . . . 0.0 108.62 177.179 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.08 -15.89 32.86 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 113.963 -1.471 . . . . 0.0 108.165 177.196 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.84 -21.92 19.6 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 105.782 -1.932 . . . . 0.0 105.782 176.242 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.15 -36.49 24.71 Favored 'General case' 0 N--CA 1.428 -1.546 0 CA-C-N 112.87 -1.968 . . . . 0.0 106.368 176.099 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.0 tp -76.73 -29.21 56.09 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 111.928 -2.396 . . . . 0.0 108.014 176.21 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.66 -20.85 35.45 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 106.479 -1.675 . . . . 0.0 106.479 177.272 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -89.09 -33.24 17.18 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 113.105 -1.861 . . . . 0.0 108.059 176.321 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -84.34 -18.29 36.68 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.644 -1.162 . . . . 0.0 109.673 176.69 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -58.27 -60.05 4.36 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.222 178.254 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -92.23 -42.61 9.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.703 179.507 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.189 0 C-N-CA 124.32 1.048 . . . . 0.0 112.142 -179.781 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 120.827 0.346 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -118.4 0.12 11.57 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 122.998 0.519 . . . . 0.0 110.933 179.435 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.89 -42.58 9.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.775 -178.292 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -95.45 -61.11 1.52 Allowed 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.705 -179.328 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -31.44 66.45 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 113.418 -1.719 . . . . 0.0 112.428 -179.519 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -92.46 -11.93 33.41 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 124.151 0.907 . . . . 0.0 110.395 178.561 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.75 -21.69 22.54 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 175.532 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 tt -88.37 -40.75 13.31 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 111.133 -2.758 . . . . 0.0 106.273 177.947 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.76 -16.64 59.42 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 125.387 1.679 . . . . 0.0 107.92 176.282 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.73 -28.97 22.75 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 104.829 -2.286 . . . . 0.0 104.829 174.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -83.1 -19.84 36.0 Favored 'General case' 0 C--N 1.342 0.239 0 CA-C-N 112.842 -1.981 . . . . 0.0 107.65 177.242 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.33 -21.06 22.21 Favored 'General case' 0 CA--C 1.497 -1.096 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 175.527 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 15.7 t-105 -87.21 -24.2 24.51 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 111.124 -2.762 . . . . 0.0 108.189 176.317 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -92.13 -18.51 23.44 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 175.752 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.29 -23.26 26.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 111.989 -2.369 . . . . 0.0 106.876 175.525 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -34.33 19.6 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-N 112.626 -2.079 . . . . 0.0 106.327 176.831 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.7 -16.47 44.82 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 111.663 -2.517 . . . . 0.0 107.733 175.643 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.35 -24.79 21.88 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 174.73 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.56 -38.28 23.93 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 112.739 -2.028 . . . . 0.0 107.604 176.544 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -80.34 -18.04 50.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 112.376 -2.193 . . . . 0.0 109.292 176.722 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.44 -30.99 19.02 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 175.363 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.96 -43.65 62.04 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 112.566 -2.106 . . . . 0.0 106.107 174.582 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.85 -12.64 60.74 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 113.503 -1.681 . . . . 0.0 110.765 177.208 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.43 -23.66 34.73 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 124.88 1.272 . . . . 0.0 109.531 178.196 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 32.2 tp -78.9 -46.14 19.09 Favored 'General case' 0 C--O 1.215 -0.758 0 C-N-CA 126.059 1.744 . . . . 0.0 108.425 179.45 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -25.8 59.27 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 111.613 -2.54 . . . . 0.0 107.79 175.744 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.07 -21.49 39.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 113.949 -1.478 . . . . 0.0 107.256 174.766 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.9 -40.86 12.13 Favored 'General case' 0 N--CA 1.42 -1.936 0 CA-C-N 113.806 -1.543 . . . . 0.0 108.539 175.549 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.55 -56.23 4.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 113.089 -1.868 . . . . 0.0 113.313 -179.867 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -83.48 -56.44 3.74 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -177.167 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.15 -4.68 2.54 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 114.521 -1.218 . . . . 0.0 113.653 -178.82 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 23.6 t-105 -59.52 -46.82 87.73 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.758 0.423 . . . . 0.0 111.964 179.778 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -139.15 -57.28 0.6 Allowed 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.292 0.37 . . . . 0.0 111.068 179.676 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 24.9 p -145.37 157.7 43.98 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.292 0.37 . . . . 0.0 111.116 -179.796 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.2 pp -92.44 132.43 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.192 179.661 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 82.8 m -129.15 149.74 50.83 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.261 -179.736 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -106.38 -9.65 16.66 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.326 179.778 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pp -91.36 163.52 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.618 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -89.16 158.23 17.99 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.313 -179.846 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 64.45 125.44 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.996 0.918 . . . . 0.0 111.887 -179.773 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 82.4 m -103.49 155.01 18.83 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.055 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 45.4 p -92.46 -27.54 17.39 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.701 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -91.48 156.09 17.95 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.366 0.416 . . . . 0.0 111.07 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 86.4 mmm -90.15 135.35 33.72 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.29 -179.855 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.57 -44.56 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.704 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.35 -179.876 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.98 152.42 31.74 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 122.319 2.013 . . . . 0.0 112.734 -179.774 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 28.0 mt -110.76 -13.87 14.1 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.183 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -97.24 -64.17 1.07 Allowed 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.442 0.464 . . . . 0.0 111.245 -179.12 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 50.0 m -151.29 173.03 14.95 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.567 0.347 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.78 -36.6 21.6 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.919 179.73 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -85.38 -9.52 57.46 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.887 178.895 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.33 -5.89 0.14 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.617 1.167 . . . . 0.0 114.07 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -94.65 -68.77 0.78 Allowed 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 123.955 0.902 . . . . 0.0 109.989 -179.184 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -61.76 -12.29 16.27 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 113.991 -1.459 . . . . 0.0 111.824 178.7 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -95.6 -41.79 8.74 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 124.753 1.221 . . . . 0.0 109.491 179.027 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -75.26 -12.51 60.3 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.899 177.505 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 mp -93.25 -44.53 8.28 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 113.397 -1.728 . . . . 0.0 106.897 178.202 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.88 -18.9 65.65 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 113.246 -1.797 . . . . 0.0 109.932 176.355 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.23 -25.89 17.61 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 114.392 -1.276 . . . . 0.0 108.353 177.777 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -87.37 -12.97 44.75 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.692 178.907 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -94.9 -32.09 13.38 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 126.414 1.885 . . . . 0.0 106.479 178.254 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -30.43 38.1 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 112.527 -2.124 . . . . 0.0 107.124 175.655 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -85.48 -14.17 46.87 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.866 175.905 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 tt -85.07 -36.45 21.18 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 124.966 1.307 . . . . 0.0 109.462 178.888 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.27 -18.67 55.01 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 112.57 -2.105 . . . . 0.0 107.301 176.51 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.81 -18.33 21.31 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 112.601 -2.091 . . . . 0.0 106.741 177.247 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.44 -40.79 14.05 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 112.855 -1.975 . . . . 0.0 105.798 176.294 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -76.68 -27.37 55.53 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 113.121 -1.854 . . . . 0.0 108.782 177.444 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -82.86 -16.99 45.47 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 107.013 -1.476 . . . . 0.0 107.013 174.209 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.5 -23.57 19.06 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 113.45 -1.705 . . . . 0.0 107.737 176.235 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -90.11 -15.71 31.09 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 113.845 -1.525 . . . . 0.0 107.794 176.913 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.99 -21.55 19.7 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 176.281 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.25 -36.24 22.83 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 112.753 -2.022 . . . . 0.0 106.437 176.09 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 12.4 tp -76.63 -29.09 56.32 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-N 111.956 -2.383 . . . . 0.0 108.022 176.177 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.37 -20.04 34.97 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 177.071 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -89.02 -32.96 17.34 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 112.875 -1.966 . . . . 0.0 107.987 176.442 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -86.53 -17.91 32.89 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.134 176.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.59 -60.26 3.94 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.281 178.361 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -91.76 -42.28 10.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.706 179.353 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.13 0 C-N-CA 124.378 1.071 . . . . 0.0 112.257 -179.956 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 120.767 0.317 . . . . 0.0 111.581 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -114.8 -2.62 12.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 122.974 0.51 . . . . 0.0 111.306 179.553 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.28 -41.05 10.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.139 -177.675 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.2 tt -95.7 -60.74 1.59 Allowed 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.956 -179.076 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.58 -31.75 69.74 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 113.565 -1.652 . . . . 0.0 112.545 -179.302 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -93.14 -11.77 32.01 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.236 0.96 . . . . 0.0 110.314 179.3 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -24.59 22.71 Favored 'General case' 0 C--O 1.227 -0.101 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 175.599 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -93.76 -20.94 19.64 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 111.961 -2.381 . . . . 0.0 107.285 177.84 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.29 -19.22 23.2 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 175.888 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.67 -28.9 18.05 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 175.866 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -82.64 -18.33 41.48 Favored 'General case' 0 CA--C 1.51 -0.567 0 O-C-N 125.4 1.687 . . . . 0.0 106.932 176.626 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.53 -32.16 24.04 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 105.655 -1.98 . . . . 0.0 105.655 175.114 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 13.8 t-105 -81.12 -23.39 38.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 110.99 -2.823 . . . . 0.0 109.21 177.061 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.83 -23.96 22.69 Favored 'General case' 0 CA--C 1.494 -1.188 0 N-CA-C 105.854 -1.906 . . . . 0.0 105.854 175.827 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 tp -76.38 -38.82 55.21 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 111.777 -2.465 . . . . 0.0 106.81 175.171 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.39 -35.25 70.97 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 112.828 -1.987 . . . . 0.0 107.522 176.612 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.67 -26.09 54.43 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 111.931 -2.395 . . . . 0.0 107.909 176.012 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.23 -36.16 40.45 Favored 'General case' 0 CA--C 1.499 -1.017 0 O-C-N 125.288 1.618 . . . . 0.0 107.797 176.55 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.85 -30.98 62.96 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 111.714 -2.494 . . . . 0.0 106.697 175.018 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.19 -18.6 42.12 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 112.456 -2.156 . . . . 0.0 109.271 175.702 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.8 -40.45 20.4 Favored 'General case' 0 CA--C 1.491 -1.313 0 N-CA-C 104.081 -2.563 . . . . 0.0 104.081 174.344 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 tt -65.24 -43.89 89.92 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 110.735 -2.939 . . . . 0.0 107.058 174.845 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.71 -12.63 60.23 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 113.871 -1.513 . . . . 0.0 110.876 177.586 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.32 -27.29 47.17 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 124.364 1.065 . . . . 0.0 109.236 178.572 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -77.01 -46.4 23.96 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-N 113.773 -1.558 . . . . 0.0 107.884 179.544 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.5 -20.28 63.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 112.316 -2.22 . . . . 0.0 106.995 174.896 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -82.43 -26.11 33.03 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 113.107 -1.86 . . . . 0.0 107.236 173.756 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.67 -38.6 11.24 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 114.182 -1.372 . . . . 0.0 109.266 175.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 9.5 mp -87.49 -54.69 4.15 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 113.637 -1.62 . . . . 0.0 113.534 -178.841 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -43.68 23.3 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -176.812 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.58 -4.46 40.12 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.909 -179.53 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -65.46 -39.9 92.56 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 122.792 0.437 . . . . 0.0 111.783 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -100.66 99.42 9.98 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.111 0.481 . . . . 0.0 110.305 179.781 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 81.0 m -141.92 163.08 33.85 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.0 pp -84.08 -37.05 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.845 179.724 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 96.3 m -131.68 121.4 24.22 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 123.366 0.416 . . . . 0.0 110.426 179.268 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -132.48 149.87 52.26 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.202 -179.766 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.6 tp -115.0 149.89 17.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.287 179.773 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -95.56 114.52 26.29 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.056 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -139.14 -43.04 0.46 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.984 179.812 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 84.9 m -128.8 150.04 50.48 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.455 0.472 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 15.6 t -100.21 146.48 26.82 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.835 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -99.04 146.81 25.67 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.019 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 64.9 mtt -113.31 134.4 54.63 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.56 158.81 31.09 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.937 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -74.97 152.1 40.49 Favored 'Trans proline' 0 C--N 1.376 1.996 0 C-N-CA 122.406 2.071 . . . . 0.0 112.723 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -121.57 -11.46 8.67 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.6 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -93.82 -53.69 3.91 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.525 0.516 . . . . 0.0 111.239 -179.235 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 70.8 m -146.29 174.9 10.94 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.33 0.394 . . . . 0.0 111.225 -179.684 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -92.96 -35.12 13.47 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.665 179.811 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -77.33 -8.69 58.07 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.824 178.721 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.36 -6.78 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -179.796 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 37.3 tp -93.43 -68.04 0.82 Allowed 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.562 1.145 . . . . 0.0 108.998 -179.86 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.55 -11.54 4.89 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.84 177.441 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -95.03 -40.13 9.81 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 125.26 1.424 . . . . 0.0 109.137 178.716 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -73.16 -13.22 61.13 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 121.994 0.902 . . . . 0.0 109.635 176.707 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 6.3 mp -93.47 -43.7 8.6 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 113.168 -1.833 . . . . 0.0 106.653 177.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.09 -18.02 65.08 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 113.066 -1.879 . . . . 0.0 109.891 176.098 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.77 -24.76 16.95 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 114.292 -1.322 . . . . 0.0 108.169 177.821 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -86.71 -14.4 42.58 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 114.285 -1.325 . . . . 0.0 109.465 178.566 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -95.34 -31.14 13.57 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 126.209 1.804 . . . . 0.0 106.522 178.423 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -30.5 33.85 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 112.727 -2.033 . . . . 0.0 107.187 175.925 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -84.61 -14.05 49.83 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.365 -1.289 . . . . 0.0 109.516 175.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 tt -83.88 -38.55 20.98 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 125.07 1.348 . . . . 0.0 109.344 178.778 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.32 -17.64 56.28 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 112.417 -2.174 . . . . 0.0 107.4 176.815 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.21 -23.13 18.01 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 112.652 -2.067 . . . . 0.0 107.62 177.895 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.43 -40.01 16.9 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 176.106 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -73.3 -27.36 61.49 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 113.213 -1.812 . . . . 0.0 108.664 176.59 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -82.59 -17.56 44.37 Favored 'General case' 0 C--N 1.345 0.412 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 173.968 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -92.31 -24.23 19.02 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 113.41 -1.723 . . . . 0.0 107.75 176.251 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -89.43 -14.68 34.88 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 113.775 -1.557 . . . . 0.0 107.738 176.592 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.01 -22.18 19.31 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 176.078 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.16 -36.29 22.98 Favored 'General case' 0 N--CA 1.427 -1.622 0 CA-C-N 112.644 -2.071 . . . . 0.0 106.421 176.282 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 tp -78.06 -27.44 48.63 Favored 'General case' 0 C--O 1.205 -1.254 0 CA-C-N 111.965 -2.379 . . . . 0.0 108.174 176.201 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.96 -20.39 35.3 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 176.513 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -89.26 -31.98 17.61 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 112.762 -2.017 . . . . 0.0 107.896 176.502 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -86.89 -18.72 30.19 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 114.387 -1.279 . . . . 0.0 110.082 176.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -57.08 -60.14 4.04 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.546 178.636 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -82.94 -41.61 18.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.497 -1.229 . . . . 0.0 112.144 179.64 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.065 -0.969 . . . . 0.0 111.28 -179.827 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 87.4 mmm . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 111.275 0.102 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -82.68 -1.36 50.99 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.528 0.731 . . . . 0.0 111.633 -179.708 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.01 -17.32 25.25 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.912 1.285 . . . . 0.0 109.694 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -92.7 -37.16 12.54 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.937 -1.483 . . . . 0.0 107.349 179.415 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.75 -24.25 44.88 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 113.11 -1.859 . . . . 0.0 108.373 177.003 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -87.74 -18.13 30.12 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 113.726 -1.579 . . . . 0.0 109.841 176.959 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.46 -21.04 23.18 Favored 'General case' 0 C--O 1.227 -0.128 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 176.798 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tt -88.56 -35.95 16.63 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 111.638 -2.528 . . . . 0.0 106.598 177.267 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.9 -21.09 51.74 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 113.055 -1.884 . . . . 0.0 108.056 176.183 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -28.62 18.97 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 176.262 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -80.97 -20.2 42.41 Favored 'General case' 0 CA--C 1.51 -0.57 0 O-C-N 125.491 1.744 . . . . 0.0 106.81 176.716 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.95 -34.95 26.35 Favored 'General case' 0 N--CA 1.422 -1.87 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 175.735 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 13.8 t-105 -79.43 -20.1 48.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 111.788 -2.46 . . . . 0.0 108.95 176.816 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.72 -19.05 23.98 Favored 'General case' 0 CA--C 1.495 -1.173 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 175.016 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.18 -33.84 24.11 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 111.221 -2.718 . . . . 0.0 106.858 175.6 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -79.98 -26.92 39.73 Favored 'General case' 0 CA--C 1.489 -1.393 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 176.866 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.55 -16.82 38.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 111.689 -2.505 . . . . 0.0 107.243 175.009 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.4 -26.02 20.1 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 175.171 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.66 -29.7 22.3 Favored 'General case' 0 CA--C 1.5 -0.977 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 176.323 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.46 -19.13 36.41 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 112.62 -2.082 . . . . 0.0 109.099 175.963 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.25 -31.09 18.05 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 104.45 -2.426 . . . . 0.0 104.45 175.894 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.36 -46.56 48.42 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 112.648 -2.069 . . . . 0.0 105.801 174.451 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.02 -12.68 60.58 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 113.92 -1.491 . . . . 0.0 110.199 177.172 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.89 -29.93 23.28 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 124.587 1.155 . . . . 0.0 109.074 178.089 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -30.92 31.07 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 126.122 1.769 . . . . 0.0 109.432 179.798 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.69 -22.63 37.31 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 112.802 -1.999 . . . . 0.0 106.036 176.076 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -83.62 -35.92 24.27 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 111.979 -2.373 . . . . 0.0 108.067 174.865 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.24 -34.43 65.86 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 175.101 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.57 -46.45 63.48 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 112.183 -2.28 . . . . 0.0 109.467 176.421 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -41.33 99.04 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.957 179.29 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.46 -4.78 58.03 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 114.832 -1.077 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -75.5 -14.11 60.4 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.586 0.354 . . . . 0.0 111.84 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -95.43 -39.11 10.16 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.381 0.426 . . . . 0.0 111.176 179.705 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 25.4 p -97.46 160.05 14.55 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.958 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 tp -88.11 124.99 41.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 -179.803 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 49.6 t -137.56 153.51 49.94 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.746 179.932 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -97.52 131.94 43.66 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.964 179.905 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 pp -105.79 144.97 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.343 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -105.93 -38.53 6.3 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.42 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -94.31 150.24 20.48 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.335 0.397 . . . . 0.0 111.194 -179.71 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 26.2 p -126.7 21.23 7.06 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.405 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 46.7 p -89.14 157.25 18.36 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.487 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 19.1 m120 64.02 123.27 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.889 0.876 . . . . 0.0 111.712 -179.765 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 63.9 mtt -106.61 132.41 52.64 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.345 -179.654 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.88 160.04 61.2 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.452 179.506 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.05 145.9 31.82 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.056 1.837 . . . . 0.0 112.984 -179.827 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 28.6 mt -146.12 -7.37 0.55 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.751 -179.119 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -58.05 -40.53 81.19 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.539 0.736 . . . . 0.0 112.82 -178.245 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 70.8 m -119.53 165.81 13.93 Favored 'General case' 0 C--O 1.235 0.342 0 O-C-N 123.449 0.468 . . . . 0.0 110.998 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.56 -32.67 17.03 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.716 -179.748 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -84.15 -9.7 58.36 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.484 178.833 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.67 -11.33 34.4 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.884 0.874 . . . . 0.0 112.984 -179.893 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.1 tt -96.26 -65.27 0.98 Allowed 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 124.763 1.225 . . . . 0.0 109.778 -179.419 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -56.56 -15.79 4.95 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 114.241 -1.345 . . . . 0.0 112.334 179.458 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -95.18 -37.26 11.12 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.368 1.067 . . . . 0.0 108.501 178.227 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -78.45 -12.21 60.0 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 114.858 -1.064 . . . . 0.0 109.403 176.778 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 tt -93.14 -45.09 8.04 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 126.821 2.048 . . . . 0.0 106.51 178.896 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.24 -17.86 64.98 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 113.428 -1.715 . . . . 0.0 109.997 176.172 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.76 -25.8 17.26 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.5 -1.227 . . . . 0.0 108.398 177.726 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.02 -13.19 48.22 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.366 -1.288 . . . . 0.0 109.513 178.747 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -95.2 -30.86 13.79 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 126.191 1.797 . . . . 0.0 106.57 178.156 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -82.04 -31.84 30.75 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 112.593 -2.094 . . . . 0.0 107.25 176.003 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -83.81 -13.97 52.49 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.762 176.035 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tt -83.24 -39.41 20.94 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 125.044 1.338 . . . . 0.0 109.674 178.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.67 -17.48 57.65 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 112.555 -2.111 . . . . 0.0 107.478 177.034 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.43 -24.21 17.43 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 112.627 -2.079 . . . . 0.0 107.896 178.115 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.88 -39.74 17.89 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 176.321 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -72.56 -28.84 63.07 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 113.334 -1.757 . . . . 0.0 108.575 176.467 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -81.96 -17.43 47.03 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 173.948 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.41 -22.97 19.34 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 113.672 -1.604 . . . . 0.0 107.843 176.361 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -89.73 -15.89 31.51 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 113.854 -1.521 . . . . 0.0 107.711 176.718 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.94 -21.51 19.76 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 176.36 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.2 -35.97 23.12 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 112.84 -1.982 . . . . 0.0 106.356 175.945 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 14.6 tp -75.69 -30.41 59.34 Favored 'General case' 0 C--O 1.206 -1.216 0 CA-C-N 111.858 -2.428 . . . . 0.0 108.001 175.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.07 -20.06 35.66 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.321 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -88.16 -31.01 19.37 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 112.93 -1.941 . . . . 0.0 107.564 176.061 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -86.99 -18.73 29.97 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.264 -1.334 . . . . 0.0 109.845 176.792 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.6 -60.47 3.29 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.088 178.68 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -86.5 -43.06 13.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.844 179.515 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.248 0 C-N-CA 124.34 1.056 . . . . 0.0 112.281 -179.948 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 111.249 0.092 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -83.15 -0.04 47.4 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.308 0.643 . . . . 0.0 111.604 -179.562 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.51 -18.25 23.41 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.941 1.296 . . . . 0.0 109.592 179.679 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tt -90.76 -47.21 7.77 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 113.775 -1.557 . . . . 0.0 106.944 179.573 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.79 -24.01 64.35 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 113.145 -1.843 . . . . 0.0 108.766 176.084 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -84.53 -27.8 27.11 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.996 177.825 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -21.63 34.59 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 178.371 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -93.09 -17.46 23.78 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 112.0 -2.364 . . . . 0.0 106.405 176.974 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.66 -22.98 20.9 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 113.452 -1.704 . . . . 0.0 107.116 175.49 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -87.3 -33.53 19.19 Favored 'General case' 0 CA--C 1.493 -1.227 0 CA-C-N 113.42 -1.718 . . . . 0.0 106.592 175.907 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -78.18 -21.6 49.9 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 111.03 -2.805 . . . . 0.0 107.834 176.126 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.31 -33.36 23.94 Favored 'General case' 0 N--CA 1.435 -1.197 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 175.527 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 -79.15 -22.37 45.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 111.328 -2.669 . . . . 0.0 108.435 176.705 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.92 -31.31 22.22 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 176.554 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 tt -73.24 -40.21 64.84 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 111.195 -2.73 . . . . 0.0 106.459 176.052 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -34.09 75.54 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 113.192 -1.822 . . . . 0.0 107.262 175.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.36 -17.98 50.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 111.73 -2.486 . . . . 0.0 108.011 175.516 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -90.19 -25.47 20.62 Favored 'General case' 0 C--N 1.349 0.587 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 175.891 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.44 -28.66 23.38 Favored 'General case' 0 CA--C 1.5 -0.968 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 175.962 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.31 -19.48 33.68 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 112.298 -2.228 . . . . 0.0 108.845 175.961 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.54 -31.38 19.93 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 104.449 -2.426 . . . . 0.0 104.449 175.752 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 tt -73.33 -41.09 63.91 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 112.626 -2.079 . . . . 0.0 106.056 174.819 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.02 -13.56 60.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 113.479 -1.691 . . . . 0.0 110.256 176.859 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -31.46 24.96 Favored 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 124.469 1.107 . . . . 0.0 109.824 178.574 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -80.72 -26.96 37.06 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 126.031 1.732 . . . . 0.0 108.254 179.408 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.32 -33.12 43.46 Favored 'General case' 0 N--CA 1.426 -1.625 0 CA-C-N 110.593 -3.003 . . . . 0.0 106.835 176.626 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -79.02 -35.13 43.2 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 111.624 -2.535 . . . . 0.0 108.59 175.68 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.84 -33.03 63.96 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 175.405 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tt -70.23 -47.46 61.32 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 112.224 -2.262 . . . . 0.0 109.194 176.248 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -39.18 90.39 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.597 179.316 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.64 -15.35 59.25 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.222 179.583 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -93.99 -24.03 17.8 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.195 179.814 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 m120 63.33 117.7 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.946 0.898 . . . . 0.0 111.886 -179.844 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 81.1 m -131.42 146.52 52.3 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.797 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp 43.61 33.05 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 C-N-CA 124.651 1.18 . . . . 0.0 113.887 -179.93 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 74.8 m -120.97 -42.24 2.51 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.173 179.911 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -126.67 151.4 48.13 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.465 0.478 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.7 pp -112.11 -29.64 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.209 -179.843 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -92.88 -13.99 28.24 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.897 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -93.84 -43.56 8.53 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.205 0.316 . . . . 0.0 111.359 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 49.1 t -103.62 124.27 48.5 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 123.36 0.412 . . . . 0.0 110.585 179.937 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 43.1 p -133.69 -44.95 0.81 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.528 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 63.65 129.65 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.858 0.863 . . . . 0.0 111.764 -179.505 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.62 -56.58 2.64 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.672 -179.547 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -155.21 124.26 3.07 Favored Pre-proline 0 N--CA 1.471 0.575 0 CA-C-O 119.297 -0.382 . . . . 0.0 111.332 -179.823 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.76 165.7 31.73 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 122.438 2.092 . . . . 0.0 112.078 178.679 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 17.4 mt -89.73 -13.21 37.31 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.778 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -133.16 -74.36 0.49 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.318 -179.406 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 69.0 m -161.68 173.67 14.37 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.305 0.642 . . . . 0.0 110.333 179.802 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -78.54 -35.1 46.58 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.461 179.228 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.09 -8.6 45.35 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.968 178.743 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.08 -6.75 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -179.277 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 tt -94.5 -64.96 1.02 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.921 0.888 . . . . 0.0 109.023 179.544 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.1 -11.44 48.91 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.245 -1.343 . . . . 0.0 111.344 178.228 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -95.31 -40.94 9.28 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.726 1.21 . . . . 0.0 109.141 179.17 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -75.68 -12.37 60.18 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.442 176.893 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.99 -40.29 10.64 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 113.332 -1.758 . . . . 0.0 107.497 178.315 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.21 -18.43 63.17 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 112.643 -2.071 . . . . 0.0 109.515 176.196 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.46 -24.14 17.43 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 114.177 -1.374 . . . . 0.0 108.046 177.584 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.8 -14.66 41.57 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 114.242 -1.345 . . . . 0.0 109.586 178.477 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -95.24 -30.17 14.13 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 126.118 1.767 . . . . 0.0 106.596 178.392 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -30.24 28.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 112.614 -2.084 . . . . 0.0 107.327 176.03 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -85.26 -13.95 48.22 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.613 176.046 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 8.9 tp -81.35 -38.79 26.11 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.203 1.401 . . . . 0.0 110.423 179.012 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.78 -17.7 50.04 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 110.792 -2.913 . . . . 0.0 107.39 177.825 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.27 -24.46 17.44 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 112.743 -2.026 . . . . 0.0 107.365 177.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.26 -40.6 17.83 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 175.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -71.86 -29.18 64.1 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 113.454 -1.703 . . . . 0.0 108.246 176.376 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -77.88 -27.37 49.68 Favored 'General case' 0 C--N 1.344 0.357 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 174.393 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.33 -20.15 28.76 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 125.1 1.5 . . . . 0.0 108.146 177.149 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -87.24 -13.5 43.64 Favored 'General case' 0 C--N 1.344 0.333 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 174.903 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.02 -24.85 18.2 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 112.682 -2.054 . . . . 0.0 106.491 176.138 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -85.25 -30.71 23.59 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 175.703 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 tp -80.27 -29.23 38.3 Favored 'General case' 0 C--O 1.203 -1.359 0 CA-C-N 111.972 -2.376 . . . . 0.0 108.111 176.124 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.52 -20.35 36.87 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 176.748 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.01 -32.29 17.67 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 112.927 -1.942 . . . . 0.0 107.999 176.529 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -87.95 -16.85 32.69 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.177 176.924 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.12 -59.98 4.45 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.281 0.562 . . . . 0.0 112.515 178.796 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -83.92 -41.88 16.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.13 179.603 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.361 -179.851 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 121.532 0.682 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -127.91 -0.09 5.97 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.719 179.097 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.92 -51.1 5.37 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.41 -177.488 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tt -93.46 -47.15 6.99 Favored 'General case' 0 CA--C 1.508 -0.657 0 C-N-CA 125.39 1.476 . . . . 0.0 108.819 -178.055 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.69 -29.33 64.58 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 114.153 -1.385 . . . . 0.0 110.462 177.934 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -90.09 -15.7 31.16 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 124.678 1.236 . . . . 0.0 110.68 177.27 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -83.86 -33.25 24.88 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 123.634 1.683 . . . . 0.0 106.763 175.94 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -80.61 -32.09 36.48 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 109.406 -3.543 . . . . 0.0 107.954 177.132 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.28 -17.58 42.1 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 176.298 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.3 -28.93 21.97 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 104.948 -2.242 . . . . 0.0 104.948 175.008 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -83.11 -20.32 35.07 Favored 'General case' 0 C--N 1.345 0.4 0 O-C-N 125.703 1.877 . . . . 0.0 107.294 176.818 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -85.05 -29.34 25.01 Favored 'General case' 0 CA--C 1.493 -1.231 0 N-CA-C 104.758 -2.312 . . . . 0.0 104.758 174.931 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -81.92 -20.65 38.29 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 111.568 -2.56 . . . . 0.0 108.832 176.469 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.18 -19.06 24.66 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 174.887 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -83.8 -34.36 24.75 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 111.296 -2.684 . . . . 0.0 106.874 175.5 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -79.97 -27.44 39.71 Favored 'General case' 0 CA--C 1.489 -1.397 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 176.986 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.79 -16.27 39.34 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 111.633 -2.531 . . . . 0.0 107.316 175.334 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.12 -26.12 20.37 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 106.819 -1.549 . . . . 0.0 106.819 175.097 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.33 -29.9 21.23 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 113.752 -1.567 . . . . 0.0 106.793 176.446 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.68 -19.88 34.52 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 112.635 -2.075 . . . . 0.0 109.115 176.214 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -32.41 19.03 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 104.644 -2.354 . . . . 0.0 104.644 175.714 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 tt -71.9 -41.5 67.89 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 112.674 -2.057 . . . . 0.0 106.145 174.798 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.73 -13.55 60.62 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 113.321 -1.763 . . . . 0.0 110.8 176.963 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.35 -24.27 25.88 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 124.627 1.171 . . . . 0.0 110.431 179.002 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.46 -28.69 21.92 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 125.471 1.508 . . . . 0.0 107.986 179.364 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.61 -37.18 31.63 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 110.44 -3.073 . . . . 0.0 107.828 177.909 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -80.75 -25.23 38.13 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 113.003 -1.908 . . . . 0.0 108.058 174.927 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.01 -35.28 72.0 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 105.142 -2.17 . . . . 0.0 105.142 174.174 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.35 -48.42 17.38 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 110.868 -2.878 . . . . 0.0 111.93 177.202 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.03 -53.87 4.19 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -176.514 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.86 -10.74 51.44 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -177.15 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -93.48 -65.89 0.96 Allowed 'General case' 0 CA--C 1.536 0.415 0 O-C-N 122.861 0.1 . . . . 0.0 111.002 179.408 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -152.13 -91.27 0.05 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 122.329 0.251 . . . . 0.0 110.83 179.361 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 25.1 p -162.07 -51.39 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 122.682 0.393 . . . . 0.0 111.098 179.739 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 mp 55.59 75.21 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.801 0.84 . . . . 0.0 110.955 -179.476 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 48.8 t -143.77 -41.17 0.28 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.168 -179.91 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -93.68 -38.25 11.42 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.389 0.431 . . . . 0.0 111.777 -179.599 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 pp -91.54 115.27 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 O-C-N 123.388 0.43 . . . . 0.0 111.539 -179.836 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -131.37 149.54 52.51 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.778 179.871 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -127.21 127.1 43.92 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 48.5 m -128.72 119.62 24.95 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.701 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 47.2 p -137.36 -47.84 0.58 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.506 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -136.66 -25.15 1.14 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.631 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 19.8 mmt 64.84 17.29 10.93 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.737 0.815 . . . . 0.0 112.263 -179.541 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.89 -41.02 0.37 Allowed Pre-proline 0 CA--C 1.545 0.77 0 CA-C-O 118.715 -0.66 . . . . 0.0 112.694 -179.9 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.53 162.24 18.44 Favored 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 122.309 2.006 . . . . 0.0 113.482 -179.7 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 5.7 mp -82.13 -9.44 59.52 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.282 -179.606 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -91.94 16.08 11.8 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.727 -179.048 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 44.5 m -89.46 -170.8 2.98 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.859 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -96.79 -41.09 8.63 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.817 -179.447 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -79.81 -8.89 59.54 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.809 178.865 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.75 -6.66 42.55 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.17 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.7 tt -95.78 -69.69 0.74 Allowed 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 123.991 0.916 . . . . 0.0 111.122 -177.965 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.21 -12.95 14.83 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.257 -179.572 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -96.41 -42.73 7.97 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.405 1.082 . . . . 0.0 109.564 179.26 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -77.05 -12.06 59.89 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 124.055 0.847 . . . . 0.0 110.485 178.391 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -92.63 -44.32 8.64 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-N 113.695 -1.593 . . . . 0.0 106.999 178.093 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.39 -17.05 64.14 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 113.088 -1.869 . . . . 0.0 110.112 176.491 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -95.22 -25.96 16.16 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.621 -1.172 . . . . 0.0 107.969 177.258 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 53.4 tp -74.9 -41.24 60.12 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.225 1.41 . . . . 0.0 110.483 178.886 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -73.25 -32.68 64.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 112.607 -2.088 . . . . 0.0 108.261 177.51 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -75.74 -30.68 59.3 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 113.352 -1.749 . . . . 0.0 106.341 175.285 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -85.41 -14.64 45.63 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 113.56 -1.655 . . . . 0.0 110.196 175.684 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -90.05 -16.91 28.77 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 124.133 0.973 . . . . 0.0 110.138 179.018 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.6 -20.99 18.52 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 178.573 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.95 -20.92 18.98 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 111.838 -2.437 . . . . 0.0 107.374 178.256 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.62 -37.2 14.81 Favored 'General case' 0 C--N 1.346 0.42 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 176.437 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -75.03 -31.89 61.44 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 113.394 -1.73 . . . . 0.0 108.406 176.835 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -77.16 -25.68 52.19 Favored 'General case' 0 C--N 1.344 0.339 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 174.672 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -85.69 -21.72 28.19 Favored 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 125.088 1.493 . . . . 0.0 108.369 177.116 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -85.78 -14.0 46.49 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 175.066 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.24 -25.02 17.97 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 112.618 -2.083 . . . . 0.0 106.605 176.339 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -85.37 -30.64 23.47 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 175.792 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 13.5 tp -79.11 -30.49 43.78 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-N 112.065 -2.334 . . . . 0.0 108.195 176.031 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.7 -20.16 36.64 Favored 'General case' 0 CA--C 1.508 -0.641 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 176.893 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -89.04 -32.71 17.45 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 112.825 -1.989 . . . . 0.0 108.002 176.614 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -86.87 -17.02 34.32 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.082 176.804 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mt -58.51 -59.98 4.51 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.423 178.665 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -84.41 -41.94 16.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.651 -1.159 . . . . 0.0 112.16 179.757 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.066 -0.969 . . . . 0.0 111.315 -179.788 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.688 0.28 . . . . 0.0 111.519 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -112.57 -3.72 14.3 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.028 0.531 . . . . 0.0 111.311 179.743 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.28 -40.5 10.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.165 -177.59 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 tt -95.48 -62.55 1.28 Allowed 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.127 -178.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -31.67 67.78 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 113.515 -1.675 . . . . 0.0 112.338 -179.619 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -91.7 -11.87 35.65 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 124.083 0.864 . . . . 0.0 110.292 178.598 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.91 -21.24 23.71 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 175.287 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tt -89.55 -36.82 15.12 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 111.277 -2.692 . . . . 0.0 106.552 177.791 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.96 -18.86 53.04 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 113.17 -1.832 . . . . 0.0 107.751 176.197 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -28.61 18.9 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 175.883 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -81.94 -18.2 44.4 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 125.56 1.788 . . . . 0.0 107.162 176.772 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.41 -31.34 22.95 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 175.42 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 11.0 t-105 -82.17 -22.54 35.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 110.938 -2.846 . . . . 0.0 109.297 176.724 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.89 -19.34 22.59 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 175.967 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 tt -80.31 -39.24 29.1 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 111.567 -2.56 . . . . 0.0 105.624 175.09 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -34.62 68.54 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 112.641 -2.072 . . . . 0.0 107.998 176.184 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.52 -18.67 44.23 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 112.226 -2.261 . . . . 0.0 108.395 175.816 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 tp -82.25 -38.46 24.42 Favored 'General case' 0 CA--C 1.493 -1.231 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 175.859 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.02 -44.32 63.6 Favored 'General case' 0 C--O 1.204 -1.322 0 CA-C-N 111.64 -2.527 . . . . 0.0 106.0 174.661 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -68.66 -11.29 59.95 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 113.881 -1.509 . . . . 0.0 108.783 176.58 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.15 -34.89 10.97 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 174.544 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 mp -91.43 -55.06 3.65 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 113.463 -1.698 . . . . 0.0 111.893 179.057 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.25 -12.83 57.82 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -176.608 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.22 -23.89 17.7 Favored 'General case' 0 C--O 1.21 -1.001 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.288 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.46 -38.51 74.46 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 126.289 1.835 . . . . 0.0 108.287 177.583 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.97 -25.41 59.92 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 112.437 -2.165 . . . . 0.0 107.252 176.166 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -83.86 -33.57 24.8 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 112.5 -2.136 . . . . 0.0 108.268 175.71 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.14 -33.08 61.5 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 175.369 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -71.28 -45.11 63.87 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 112.325 -2.216 . . . . 0.0 109.376 176.462 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -41.44 81.35 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 114.669 -1.151 . . . . 0.0 113.476 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.08 -52.39 5.72 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -177.734 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 60.2 m95 -78.14 -40.09 39.06 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -177.856 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -90.57 -50.56 5.86 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.04 0.213 . . . . 0.0 111.446 -179.554 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 46.2 t 65.97 -63.34 0.23 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.324 1.05 . . . . 0.0 112.307 -179.96 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.7 pp -146.54 -35.02 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 45.4 t -109.98 151.23 27.4 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.268 0.355 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -107.99 132.66 53.29 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.567 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 pp -140.73 135.51 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.237 179.775 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -104.22 118.46 36.7 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -138.79 -43.44 0.48 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.015 179.863 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 82.1 m -102.64 160.97 14.1 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.433 0.458 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 52.6 m -87.07 127.78 35.11 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -110.35 161.19 15.88 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.748 -179.789 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 4.8 mmt -84.95 -2.38 57.82 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.827 179.895 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.19 150.6 43.52 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.859 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -54.98 159.76 9.0 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 123.016 2.477 . . . . 0.0 113.748 -179.879 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 53.8 mt -126.34 -9.2 6.37 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.199 -179.395 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -58.55 -39.89 81.5 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.247 0.619 . . . . 0.0 112.641 -179.201 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 62.1 m -133.08 167.96 19.37 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 123.412 0.445 . . . . 0.0 111.182 179.858 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -87.68 -35.2 18.11 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -78.09 -8.69 58.55 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.644 178.594 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.64 -8.0 0.08 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -179.456 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 tt -94.62 -61.24 1.54 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.441 1.097 . . . . 0.0 108.77 179.544 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.03 -12.71 28.15 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 114.267 -1.333 . . . . 0.0 110.502 177.645 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -95.15 -35.94 11.68 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.134 1.374 . . . . 0.0 108.711 178.581 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -74.89 -14.28 60.64 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-O 122.121 0.963 . . . . 0.0 109.206 176.513 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -93.44 -43.17 8.88 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 112.869 -1.969 . . . . 0.0 106.464 177.827 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.02 -19.1 65.83 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 113.037 -1.892 . . . . 0.0 109.689 176.091 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.34 -26.0 16.75 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 114.224 -1.353 . . . . 0.0 108.31 177.952 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -86.86 -10.66 52.89 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.536 178.741 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -94.91 -30.43 14.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 112.942 -1.935 . . . . 0.0 105.916 178.254 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -31.67 27.38 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 112.35 -2.204 . . . . 0.0 106.979 175.899 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -81.5 -13.81 57.7 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.272 -1.331 . . . . 0.0 109.129 175.753 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 13.7 tp -82.87 -32.42 27.42 Favored 'General case' 0 C--N 1.346 0.414 0 C-N-CA 125.166 1.387 . . . . 0.0 110.484 178.565 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.27 -18.43 39.12 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 127.241 2.217 . . . . 0.0 106.689 177.484 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.46 -19.4 20.6 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 112.294 -2.23 . . . . 0.0 106.4 177.046 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.48 -39.28 15.32 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 112.711 -2.04 . . . . 0.0 105.621 175.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -75.77 -27.41 58.04 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 113.106 -1.861 . . . . 0.0 108.473 176.762 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -82.15 -17.2 47.19 Favored 'General case' 0 C--N 1.347 0.472 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.023 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -91.44 -24.49 19.69 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 113.471 -1.695 . . . . 0.0 107.627 176.051 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -89.15 -15.53 33.59 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 113.573 -1.649 . . . . 0.0 107.722 176.625 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.95 -21.62 19.69 Favored 'General case' 0 CA--C 1.509 -0.635 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 176.208 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.83 -35.78 23.98 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 112.697 -2.047 . . . . 0.0 106.232 175.974 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 tp -76.97 -29.05 55.36 Favored 'General case' 0 C--O 1.207 -1.18 0 CA-C-N 111.849 -2.432 . . . . 0.0 107.974 175.967 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.58 -20.39 36.6 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 176.9 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -89.11 -32.43 17.52 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 112.855 -1.975 . . . . 0.0 107.834 176.339 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -84.76 -20.0 31.76 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.723 176.856 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.89 -59.94 4.31 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.13 178.266 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -90.25 -42.33 11.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.623 179.452 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.214 0 C-N-CA 124.348 1.059 . . . . 0.0 112.213 -179.932 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 111.272 0.101 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -89.12 -2.04 58.36 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 123.272 0.629 . . . . 0.0 111.487 -179.882 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.49 -15.83 28.19 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.975 1.31 . . . . 0.0 110.104 -179.355 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -92.57 -34.58 13.97 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.168 -1.378 . . . . 0.0 107.33 179.176 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.57 -24.04 34.16 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 113.015 -1.902 . . . . 0.0 108.302 177.115 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -89.07 -17.29 29.6 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.874 177.65 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -24.72 22.61 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 176.979 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.44 -19.1 21.59 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 112.302 -2.226 . . . . 0.0 107.226 177.252 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.05 -21.3 21.31 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 175.913 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.59 -29.76 17.62 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 113.067 -1.878 . . . . 0.0 106.122 176.169 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -81.93 -19.11 41.42 Favored 'General case' 0 CA--C 1.509 -0.609 0 O-C-N 125.33 1.644 . . . . 0.0 106.825 176.649 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.5 -34.94 27.79 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 105.397 -2.075 . . . . 0.0 105.397 175.041 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 12.8 t-105 -79.25 -19.93 49.43 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 111.767 -2.47 . . . . 0.0 108.905 176.916 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.64 -19.04 24.1 Favored 'General case' 0 CA--C 1.495 -1.159 0 N-CA-C 105.468 -2.049 . . . . 0.0 105.468 174.84 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.59 -33.2 23.42 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 111.317 -2.674 . . . . 0.0 106.943 175.643 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -80.88 -27.1 36.44 Favored 'General case' 0 CA--C 1.487 -1.463 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 176.772 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.39 -17.52 39.08 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 111.72 -2.491 . . . . 0.0 107.027 174.891 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.01 -27.89 19.45 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 175.174 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.32 -29.04 28.62 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 176.185 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.6 -19.5 35.4 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 112.29 -2.232 . . . . 0.0 109.078 175.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -31.64 19.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 104.352 -2.462 . . . . 0.0 104.352 175.765 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.24 -44.62 62.61 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 112.739 -2.028 . . . . 0.0 106.373 174.406 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.85 -13.58 62.09 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 112.529 -2.123 . . . . 0.0 110.686 177.036 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.21 -27.89 32.3 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 124.514 1.126 . . . . 0.0 109.138 178.425 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 tt -78.73 -41.26 31.32 Favored 'General case' 0 CA--C 1.516 -0.327 0 C-N-CA 126.494 1.918 . . . . 0.0 108.377 179.75 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -74.32 -22.25 59.34 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 112.549 -2.114 . . . . 0.0 107.011 175.653 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -83.28 -35.5 25.24 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 112.831 -1.986 . . . . 0.0 107.911 174.477 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.39 -35.6 71.11 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 174.928 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mp -70.51 -47.95 57.96 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 112.106 -2.316 . . . . 0.0 109.878 176.437 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -38.77 78.32 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 113.935 -1.484 . . . . 0.0 111.442 179.283 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.42 -6.2 50.64 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 114.469 -1.241 . . . . 0.0 112.194 179.353 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -91.88 -47.84 7.1 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 179.665 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 62.06 153.06 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.112 0.965 . . . . 0.0 112.346 179.568 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 81.6 m -92.68 -39.26 11.38 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.243 179.868 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 tp -98.23 146.79 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 O-C-N 123.5 0.5 . . . . 0.0 110.452 179.777 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 81.3 m -98.37 122.6 41.75 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 123.602 0.564 . . . . 0.0 111.077 -179.874 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -134.85 -46.14 0.73 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.021 179.844 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.6 tp -141.52 147.66 21.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.6 179.904 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 63.37 129.87 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.942 0.897 . . . . 0.0 112.107 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -130.45 -33.64 1.65 Allowed 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.595 -179.796 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 82.3 m -88.92 -0.47 57.42 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.632 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 43.9 m -90.74 -27.92 18.62 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.7 -179.927 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -93.46 157.08 16.39 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 123.356 0.41 . . . . 0.0 111.337 -180.0 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 64.6 mtt 63.17 114.64 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.983 0.913 . . . . 0.0 112.192 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.48 -51.05 0.02 OUTLIER Pre-proline 0 CA--C 1.544 0.73 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.673 179.476 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.76 164.5 23.05 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 122.452 2.101 . . . . 0.0 112.585 179.713 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 18.2 mt -92.3 -11.13 36.0 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.839 179.839 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -121.97 118.12 28.05 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.531 -179.263 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 64.8 m -129.85 -22.32 2.94 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.451 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -98.05 -39.66 8.81 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.722 179.852 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -92.0 -8.55 45.76 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.472 -179.802 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.25 -15.75 14.41 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.9 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.5 mt -97.05 -69.9 0.74 Allowed 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.335 0.654 . . . . 0.0 111.847 -178.698 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -61.41 -12.73 15.59 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.16 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -95.98 -41.9 8.54 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.301 1.04 . . . . 0.0 109.674 178.998 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -75.89 -12.69 60.2 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.931 177.752 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.53 -45.71 7.63 Favored 'General case' 0 CA--C 1.497 -1.067 0 C-N-CA 125.956 1.703 . . . . 0.0 106.861 178.399 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.29 -16.71 63.85 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 113.619 -1.628 . . . . 0.0 110.097 176.495 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.82 -27.05 15.95 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.554 177.604 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -88.33 -12.99 41.86 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.908 179.315 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -94.95 -32.23 13.28 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 126.205 1.802 . . . . 0.0 106.708 178.507 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -30.39 36.16 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 112.658 -2.064 . . . . 0.0 107.277 175.859 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -88.29 -14.47 38.24 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.906 176.675 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.04 -29.07 22.21 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 124.43 1.092 . . . . 0.0 110.98 179.641 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -18.69 31.06 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 112.959 -1.928 . . . . 0.0 106.553 177.795 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.59 -21.52 18.19 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 112.656 -2.066 . . . . 0.0 108.118 177.941 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.79 -42.52 10.06 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 177.003 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -72.73 -27.41 62.03 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.044 -1.435 . . . . 0.0 109.637 176.81 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -79.99 -18.99 48.85 Favored 'General case' 0 C--N 1.345 0.378 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 174.036 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -93.24 -25.93 17.58 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 113.457 -1.701 . . . . 0.0 108.855 177.016 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -88.42 -16.36 33.06 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 114.341 -1.299 . . . . 0.0 108.576 177.744 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.94 -21.22 19.93 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 176.048 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.03 -37.16 22.49 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-N 112.913 -1.949 . . . . 0.0 106.645 176.212 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 6.8 tp -78.24 -28.11 47.77 Favored 'General case' 0 C--O 1.204 -1.306 0 CA-C-N 111.963 -2.381 . . . . 0.0 108.32 176.586 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.45 -20.44 34.06 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 177.314 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.1 -31.66 17.91 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 112.97 -1.923 . . . . 0.0 107.938 176.218 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -87.01 -19.44 28.68 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.222 177.007 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mt -59.45 -60.61 3.58 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.453 178.731 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -43.06 9.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.851 179.462 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.18 0 C-N-CA 124.379 1.071 . . . . 0.0 112.204 -179.913 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.305 0 CA-C-O 121.133 0.492 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 tt -95.63 -61.15 1.51 Allowed 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.03 -1.441 . . . . 0.0 109.555 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -31.14 66.77 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 113.455 -1.702 . . . . 0.0 112.489 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -92.4 -12.35 32.45 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 124.224 0.953 . . . . 0.0 110.342 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.88 -21.77 22.36 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 175.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tt -90.41 -35.72 15.0 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 111.376 -2.647 . . . . 0.0 106.926 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.5 -20.33 51.04 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 113.337 -1.756 . . . . 0.0 107.814 176.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.38 -29.14 19.3 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 176.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -81.03 -20.15 42.3 Favored 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 125.522 1.764 . . . . 0.0 106.997 176.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.89 -34.72 26.62 Favored 'General case' 0 N--CA 1.421 -1.888 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 175.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -79.16 -19.27 51.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 111.724 -2.489 . . . . 0.0 108.764 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.65 -19.04 24.09 Favored 'General case' 0 CA--C 1.495 -1.144 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.08 -32.38 22.86 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 111.177 -2.738 . . . . 0.0 106.984 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -82.69 -26.23 32.24 Favored 'General case' 0 CA--C 1.49 -1.36 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.36 -16.25 40.51 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 111.773 -2.467 . . . . 0.0 107.003 174.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.06 -26.77 21.22 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.42 -30.14 22.32 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 113.579 -1.646 . . . . 0.0 106.618 176.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.2 -18.66 38.51 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 112.573 -2.103 . . . . 0.0 108.856 175.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.48 -31.14 20.14 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 104.402 -2.444 . . . . 0.0 104.402 175.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tt -73.79 -42.41 61.03 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 112.563 -2.108 . . . . 0.0 106.149 174.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.12 -13.2 60.79 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 113.409 -1.723 . . . . 0.0 110.484 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.87 -27.07 44.02 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.607 1.163 . . . . 0.0 109.373 178.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 tt -76.56 -45.89 28.58 Favored 'General case' 0 C--O 1.212 -0.888 0 C-N-CA 126.039 1.736 . . . . 0.0 106.952 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.93 -21.35 62.37 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 112.992 -1.913 . . . . 0.0 107.351 174.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -78.27 -25.6 46.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 113.651 -1.613 . . . . 0.0 106.647 173.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.58 -36.31 12.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 113.916 -1.493 . . . . 0.0 108.954 175.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 113.778 -1.555 . . . . 0.0 113.936 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 . . . . . 0 N--CA 1.469 0.524 0 CA-C-O 121.051 0.453 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.1 -24.28 11.63 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.825 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.35 -70.01 0.74 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.735 0.814 . . . . 0.0 111.832 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -61.47 -15.46 37.85 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 113.683 -1.599 . . . . 0.0 112.235 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -95.45 -38.13 10.6 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 124.392 1.077 . . . . 0.0 109.925 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -74.52 -12.78 60.56 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 122.013 0.911 . . . . 0.0 109.534 176.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.79 -43.34 8.66 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-N 113.032 -1.895 . . . . 0.0 106.666 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.15 -15.95 63.53 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 113.038 -1.892 . . . . 0.0 110.273 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.35 -26.78 15.76 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.665 1.186 . . . . 0.0 107.919 177.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.5 -45.1 32.36 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 113.791 -1.549 . . . . 0.0 109.198 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.56 -30.9 69.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 113.26 -1.791 . . . . 0.0 108.005 176.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -76.56 -28.53 56.31 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -76.5 -28.65 56.52 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 113.526 -1.67 . . . . 0.0 108.995 175.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mp -69.56 -49.57 53.05 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-O 123.166 1.46 . . . . 0.0 108.864 176.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.89 -25.95 0.88 Allowed 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 113.499 -1.682 . . . . 0.0 108.504 176.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.69 -37.76 8.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 112.154 -2.294 . . . . 0.0 112.241 176.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.68 -47.07 11.6 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 124.138 0.975 . . . . 0.0 109.74 -177.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -67.08 -31.23 71.58 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.071 176.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -81.26 -15.93 54.12 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 174.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.12 -23.73 19.34 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 114.254 -1.339 . . . . 0.0 107.524 175.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -88.91 -16.64 31.37 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 113.651 -1.613 . . . . 0.0 107.806 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.16 -22.06 19.29 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 176.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.6 -36.12 24.16 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-N 113.021 -1.899 . . . . 0.0 106.409 176.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 11.6 tp -76.42 -29.8 57.18 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 111.849 -2.432 . . . . 0.0 108.171 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.14 -19.95 35.69 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 177.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -87.99 -31.63 19.25 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 112.939 -1.937 . . . . 0.0 107.359 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -85.66 -16.52 38.85 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.43 -1.259 . . . . 0.0 109.649 176.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.92 -60.05 3.99 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.137 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -83.65 -44.4 14.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.617 -1.174 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.284 -179.763 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -96.37 -51.67 4.28 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.37 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -31.65 72.74 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 113.84 -1.527 . . . . 0.0 112.206 -178.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -93.0 -11.33 33.42 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.323 1.014 . . . . 0.0 110.071 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.11 -24.55 22.22 Favored 'General case' 0 C--O 1.227 -0.081 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 175.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -93.75 -20.17 20.37 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 112.037 -2.347 . . . . 0.0 107.157 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.07 -19.92 22.63 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 106.576 -1.638 . . . . 0.0 106.576 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.75 -29.49 18.67 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 113.061 -1.881 . . . . 0.0 106.008 175.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -81.81 -19.56 40.91 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 125.534 1.771 . . . . 0.0 106.798 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.66 -34.09 27.57 Favored 'General case' 0 N--CA 1.422 -1.847 0 N-CA-C 105.17 -2.159 . . . . 0.0 105.17 175.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -79.38 -18.93 51.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 111.601 -2.545 . . . . 0.0 108.729 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.05 -19.48 24.32 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.94 -31.82 23.4 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 111.09 -2.777 . . . . 0.0 107.016 175.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -82.89 -25.89 32.05 Favored 'General case' 0 CA--C 1.489 -1.389 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 176.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.73 -17.16 39.22 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 111.827 -2.442 . . . . 0.0 106.907 174.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -88.4 -27.42 21.59 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 174.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.65 -31.1 24.36 Favored 'General case' 0 CA--C 1.498 -1.039 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 176.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.55 -17.32 48.83 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 112.508 -2.133 . . . . 0.0 108.97 175.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.23 -29.42 20.46 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 104.465 -2.42 . . . . 0.0 104.465 175.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 tt -78.11 -40.55 37.95 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 112.416 -2.175 . . . . 0.0 106.715 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.52 -12.46 59.96 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 113.262 -1.79 . . . . 0.0 110.224 177.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -30.3 69.21 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 124.534 1.134 . . . . 0.0 109.342 178.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mp -71.96 -52.18 18.41 Favored 'General case' 0 C--O 1.2 -1.551 0 CA-C-N 113.746 -1.57 . . . . 0.0 107.762 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.96 -18.9 65.66 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 113.136 -1.847 . . . . 0.0 108.02 175.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -84.26 -26.89 28.29 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 113.11 -1.859 . . . . 0.0 107.301 173.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.82 -38.59 10.68 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.151 -1.386 . . . . 0.0 109.19 175.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.235 0.297 0 CA-C-N 113.645 -1.616 . . . . 0.0 113.239 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.13 -6.99 7.5 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 10.1 mt -95.11 -68.52 0.8 Allowed 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 124.263 1.025 . . . . 0.0 110.394 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -56.77 -14.86 3.73 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.915 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -95.66 -40.16 9.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 124.618 1.167 . . . . 0.0 109.294 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -75.82 -12.53 60.19 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 122.03 0.919 . . . . 0.0 109.709 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.29 -43.98 8.54 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 113.084 -1.871 . . . . 0.0 106.922 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.99 -16.33 64.0 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 113.298 -1.774 . . . . 0.0 109.967 176.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.09 -25.82 16.29 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 177.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 61.6 tp -77.56 -40.04 43.76 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 113.812 -1.54 . . . . 0.0 110.091 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -73.05 -31.24 64.29 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 111.851 -2.431 . . . . 0.0 108.047 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -78.92 -31.64 45.32 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 113.208 -1.815 . . . . 0.0 106.508 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -82.0 -14.72 55.58 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 113.764 -1.562 . . . . 0.0 109.606 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 tp -82.86 -33.69 26.99 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 124.877 1.271 . . . . 0.0 110.708 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -18.52 40.02 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 112.374 -2.194 . . . . 0.0 106.731 177.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.6 -20.34 19.68 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 112.36 -2.2 . . . . 0.0 106.555 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.98 -40.82 15.44 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 112.923 -1.944 . . . . 0.0 105.987 175.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -74.84 -29.49 61.06 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 113.384 -1.734 . . . . 0.0 108.235 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -78.29 -26.17 46.93 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 174.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.95 -20.14 29.39 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 125.132 1.52 . . . . 0.0 107.944 176.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -87.27 -13.97 42.26 Favored 'General case' 0 C--N 1.343 0.323 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.16 -25.05 18.02 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 112.619 -2.082 . . . . 0.0 106.74 176.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -85.57 -29.42 24.15 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.1 tp -80.77 -29.85 36.13 Favored 'General case' 0 C--O 1.206 -1.221 0 CA-C-N 111.875 -2.42 . . . . 0.0 107.903 176.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.3 -20.28 37.77 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -89.08 -31.4 18.05 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 112.887 -1.961 . . . . 0.0 107.985 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -87.61 -19.13 28.2 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.972 176.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mt -56.88 -60.23 3.88 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.428 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -88.87 -42.37 11.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.539 -1.21 . . . . 0.0 111.607 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.236 0 C-N-CA 124.302 1.041 . . . . 0.0 112.334 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.284 0 CA-C-O 121.049 0.452 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 tt -95.48 -57.45 2.39 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 125.175 1.39 . . . . 0.0 109.541 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -31.89 66.61 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 113.508 -1.678 . . . . 0.0 112.282 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -93.04 -11.56 32.76 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 124.282 0.989 . . . . 0.0 109.987 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.97 -23.56 21.5 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 175.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -93.65 -21.07 19.61 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 111.824 -2.443 . . . . 0.0 107.145 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.09 -18.68 24.14 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 175.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -28.75 17.32 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 175.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -82.53 -17.67 44.18 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 125.526 1.766 . . . . 0.0 106.988 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.75 -31.35 26.03 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 174.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -82.47 -23.03 34.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 110.629 -2.987 . . . . 0.0 109.201 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -90.45 -20.31 22.9 Favored 'General case' 0 CA--C 1.494 -1.184 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 175.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 tp -79.4 -37.3 37.55 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 111.631 -2.531 . . . . 0.0 106.578 175.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -34.05 66.18 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 112.681 -2.054 . . . . 0.0 106.996 176.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.79 -15.7 53.37 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 111.709 -2.496 . . . . 0.0 107.718 175.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -88.67 -25.92 22.12 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 174.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.26 -30.07 22.62 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 113.471 -1.695 . . . . 0.0 106.66 176.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.41 -18.46 35.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 112.375 -2.193 . . . . 0.0 108.811 176.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.49 -30.97 20.23 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 104.408 -2.442 . . . . 0.0 104.408 175.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 tt -73.33 -41.79 63.07 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 112.589 -2.096 . . . . 0.0 106.065 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.65 -13.58 60.65 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 113.377 -1.738 . . . . 0.0 110.439 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.96 -27.33 43.49 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.437 1.095 . . . . 0.0 109.57 178.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.74 -35.23 60.27 Favored 'General case' 0 CA--C 1.498 -1.024 0 C-N-CA 125.756 1.623 . . . . 0.0 108.62 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -82.59 -20.23 36.86 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 111.645 -2.525 . . . . 0.0 106.56 175.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -81.69 -24.41 36.24 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 113.163 -1.835 . . . . 0.0 106.763 173.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.17 -35.82 12.95 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.034 -1.439 . . . . 0.0 108.516 175.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 113.584 -1.643 . . . . 0.0 113.588 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.82 -19.16 13.51 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tt -96.7 -69.4 0.76 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.926 0.89 . . . . 0.0 110.894 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -60.29 -14.38 17.83 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 114.727 -1.124 . . . . 0.0 112.162 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -95.49 -39.01 10.19 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.387 1.075 . . . . 0.0 109.558 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -75.35 -12.69 60.32 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 122.0 0.905 . . . . 0.0 109.459 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 mp -93.29 -43.87 8.59 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 113.043 -1.89 . . . . 0.0 106.678 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.06 -19.29 65.92 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 113.1 -1.864 . . . . 0.0 109.845 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.08 -25.75 17.04 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.31 -1.314 . . . . 0.0 108.368 177.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -86.68 -11.39 51.39 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.424 -1.262 . . . . 0.0 109.464 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -95.16 -32.28 13.14 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 112.974 -1.921 . . . . 0.0 106.16 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -29.87 34.28 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 112.844 -1.98 . . . . 0.0 107.115 175.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -83.66 -13.52 53.99 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 114.251 -1.34 . . . . 0.0 109.254 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 tt -80.0 -38.0 33.03 Favored 'General case' 0 C--O 1.216 -0.69 0 C-N-CA 124.938 1.295 . . . . 0.0 109.919 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -71.59 -26.27 62.53 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 112.856 -1.974 . . . . 0.0 107.963 175.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.0 -21.72 24.67 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 110.049 -3.251 . . . . 0.0 108.024 178.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.84 -38.84 17.69 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 105.696 -1.964 . . . . 0.0 105.696 176.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -74.94 -30.07 61.13 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 112.819 -1.991 . . . . 0.0 108.393 177.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -77.86 -25.58 48.77 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -86.16 -21.89 27.31 Favored 'General case' 0 C--N 1.347 0.482 0 CA-C-N 113.766 -1.561 . . . . 0.0 108.104 176.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -86.3 -13.66 45.96 Favored 'General case' 0 C--N 1.34 0.184 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 175.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.02 -24.11 18.45 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 112.746 -2.024 . . . . 0.0 106.383 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -85.06 -30.39 24.14 Favored 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 tp -80.84 -29.02 35.92 Favored 'General case' 0 C--O 1.207 -1.144 0 CA-C-N 111.712 -2.495 . . . . 0.0 108.031 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.52 -20.24 37.12 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 176.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -88.86 -32.81 17.6 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 112.814 -1.994 . . . . 0.0 107.991 176.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 58.9 mttt -87.35 -16.54 34.73 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.538 -1.21 . . . . 0.0 110.13 176.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.83 -59.84 4.44 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.462 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -83.04 -41.23 18.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.592 -1.185 . . . . 0.0 112.095 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.324 -179.903 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.341 0 CA-C-O 120.976 0.417 . . . . 0.0 112.116 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 tt -95.78 -62.09 1.35 Allowed 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.301 -1.318 . . . . 0.0 109.938 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -32.13 68.82 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 113.448 -1.706 . . . . 0.0 112.615 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -93.83 -11.41 31.26 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 124.153 0.908 . . . . 0.0 110.638 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -22.83 22.66 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 175.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -92.06 -30.93 15.76 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 111.584 -2.553 . . . . 0.0 106.874 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.52 -17.28 39.47 Favored 'General case' 0 CA--C 1.509 -0.615 0 O-C-N 125.04 1.463 . . . . 0.0 107.149 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -28.65 23.21 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 174.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -84.17 -18.93 35.07 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 112.921 -1.945 . . . . 0.0 107.542 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.28 -22.41 23.92 Favored 'General case' 0 CA--C 1.495 -1.149 0 N-CA-C 105.096 -2.187 . . . . 0.0 105.096 174.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -86.77 -25.02 24.87 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 110.954 -2.839 . . . . 0.0 108.683 176.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.65 -19.99 23.02 Favored 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -81.43 -33.89 31.84 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 111.772 -2.467 . . . . 0.0 106.568 175.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.81 -35.06 60.16 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 126.454 1.902 . . . . 0.0 106.623 177.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.14 -23.64 51.68 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-N 111.473 -2.603 . . . . 0.0 107.101 175.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.99 -22.94 28.92 Favored 'General case' 0 C--O 1.213 -0.844 0 O-C-N 124.987 1.429 . . . . 0.0 107.209 176.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -89.14 -19.55 25.36 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 174.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -14.03 35.28 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 112.18 -2.282 . . . . 0.0 108.343 174.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -97.38 -42.81 7.58 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.94 -51.38 8.12 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 111.781 -2.463 . . . . 0.0 113.076 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.57 -12.21 32.37 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -28.52 17.58 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 118.346 0.521 . . . . 0.0 109.836 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tt -75.36 -35.82 61.06 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 126.411 1.885 . . . . 0.0 107.608 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.41 -33.98 71.99 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 111.552 -2.567 . . . . 0.0 107.222 175.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -77.24 -34.43 55.86 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 111.84 -2.436 . . . . 0.0 108.734 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.4 -34.28 67.77 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 175.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.511 -0.521 0 CA-C-N 112.178 -2.283 . . . . 0.0 109.779 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 . . . . . 0 N--CA 1.469 0.484 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.04 -6.54 0.25 Allowed 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.8 mt -94.64 -68.39 0.8 Allowed 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.026 0.93 . . . . 0.0 109.864 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -59.83 -12.25 7.08 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 114.436 -1.256 . . . . 0.0 111.603 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -95.6 -41.3 8.99 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.689 1.196 . . . . 0.0 109.274 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -75.16 -12.63 60.34 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.865 0.841 . . . . 0.0 109.834 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -93.33 -44.17 8.43 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 113.291 -1.777 . . . . 0.0 106.812 178.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.57 -19.26 65.85 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 113.132 -1.849 . . . . 0.0 109.902 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.38 -25.99 17.45 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.352 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -86.16 -11.0 53.72 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.515 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -94.61 -29.43 14.86 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 113.279 -1.782 . . . . 0.0 106.623 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -29.21 23.88 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 112.427 -2.169 . . . . 0.0 107.223 175.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -89.0 -13.98 37.59 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 114.402 -1.272 . . . . 0.0 110.723 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 11.6 tp -82.53 -30.81 29.51 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 124.771 1.228 . . . . 0.0 111.396 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.43 -18.84 34.66 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 126.762 2.025 . . . . 0.0 106.686 177.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.34 -17.46 21.6 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 112.161 -2.291 . . . . 0.0 106.688 177.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.47 -43.05 9.93 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 176.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -74.43 -27.1 60.46 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 113.74 -1.573 . . . . 0.0 109.313 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -80.42 -19.35 46.4 Favored 'General case' 0 C--N 1.344 0.339 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 174.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -93.5 -26.08 17.32 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 113.479 -1.691 . . . . 0.0 109.072 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -88.41 -15.75 34.67 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 114.429 -1.259 . . . . 0.0 108.758 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.94 -21.12 19.99 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 175.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -36.95 21.42 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 112.747 -2.024 . . . . 0.0 106.75 176.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 8.7 tp -77.65 -28.57 51.32 Favored 'General case' 0 C--O 1.204 -1.324 0 CA-C-N 112.015 -2.357 . . . . 0.0 108.325 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.0 -21.48 33.88 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 106.576 -1.638 . . . . 0.0 106.576 177.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.5 -31.72 21.16 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 112.731 -2.031 . . . . 0.0 107.744 176.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -88.21 -16.36 33.49 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.115 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 61.6 tp -61.35 -59.7 4.87 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.371 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -88.11 -42.44 12.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.112 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.066 -0.969 . . . . 0.0 111.176 -179.701 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 121.384 0.612 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tt -92.09 -46.95 7.51 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 113.739 -1.573 . . . . 0.0 106.88 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.08 -25.93 65.58 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 112.983 -1.917 . . . . 0.0 108.982 176.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -89.45 -16.32 31.11 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 113.907 -1.497 . . . . 0.0 110.423 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -22.75 23.31 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -90.75 -31.13 16.66 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 111.867 -2.424 . . . . 0.0 106.946 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.93 -19.66 36.82 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 113.28 -1.782 . . . . 0.0 107.872 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.71 -22.41 19.42 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 176.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -86.09 -21.5 27.64 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 113.015 -1.902 . . . . 0.0 106.621 175.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.36 -34.9 21.7 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 113.241 -1.8 . . . . 0.0 106.849 176.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 7.4 t-105 -79.22 -19.84 49.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 111.519 -2.582 . . . . 0.0 107.949 176.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.46 -32.35 20.87 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 175.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.94 -31.54 64.67 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 111.529 -2.578 . . . . 0.0 106.968 176.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -32.89 39.45 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 112.997 -1.91 . . . . 0.0 107.656 177.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.08 -18.32 47.0 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 111.976 -2.374 . . . . 0.0 108.238 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.86 -38.31 19.63 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 176.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.96 -43.89 61.75 Favored 'General case' 0 C--O 1.204 -1.291 0 CA-C-N 111.813 -2.449 . . . . 0.0 106.086 174.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -65.97 -12.56 55.83 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.057 -1.428 . . . . 0.0 108.394 176.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.71 -35.08 10.68 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 174.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.72 -53.31 4.47 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 113.409 -1.723 . . . . 0.0 111.959 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.63 -13.39 56.58 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.17 -21.67 18.93 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.38 -35.45 73.52 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 126.329 1.852 . . . . 0.0 107.627 176.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.95 -23.98 52.38 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 112.003 -2.362 . . . . 0.0 107.207 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -83.98 -35.08 24.2 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 112.593 -2.094 . . . . 0.0 107.807 175.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.43 -33.09 62.87 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 106.098 -1.816 . . . . 0.0 106.098 175.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 N--CA 1.449 -0.49 0 CA-C-N 112.499 -2.137 . . . . 0.0 109.134 176.251 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 . . . . . 0 CA--C 1.536 0.43 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.31 -20.75 13.03 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -178.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tt -97.49 -69.61 0.75 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.246 0.618 . . . . 0.0 111.477 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -62.08 -14.56 37.54 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 114.58 -1.191 . . . . 0.0 112.39 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -95.77 -40.36 9.39 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.402 1.081 . . . . 0.0 109.707 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -75.53 -12.49 60.24 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-O 121.81 0.814 . . . . 0.0 109.812 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -93.23 -44.56 8.27 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 113.325 -1.762 . . . . 0.0 106.765 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.68 -18.59 65.44 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 113.368 -1.742 . . . . 0.0 110.044 176.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.66 -25.31 17.54 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 114.439 -1.255 . . . . 0.0 108.225 177.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -87.26 -14.06 42.03 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.12 -1.4 . . . . 0.0 109.668 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -94.98 -32.6 13.1 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 126.329 1.852 . . . . 0.0 106.482 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -29.73 42.17 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 112.547 -2.115 . . . . 0.0 107.033 175.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -85.65 -14.49 45.37 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.064 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.09 -17.21 28.13 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 124.557 1.143 . . . . 0.0 109.644 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.23 -19.89 18.97 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 126.233 1.813 . . . . 0.0 106.175 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.28 -27.87 15.27 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 112.115 -2.311 . . . . 0.0 108.33 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.67 -41.97 12.99 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -66.12 -30.58 71.1 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.374 175.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -77.09 -27.83 54.3 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 174.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.92 -20.14 29.45 Favored 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 125.015 1.447 . . . . 0.0 108.266 177.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -86.63 -13.7 44.86 Favored 'General case' 0 C--N 1.346 0.427 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 174.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.11 -24.75 18.17 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 112.674 -2.057 . . . . 0.0 106.538 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -85.71 -29.84 23.61 Favored 'General case' 0 CA--C 1.497 -1.079 0 N-CA-C 106.206 -1.776 . . . . 0.0 106.206 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.7 tp -80.86 -29.27 35.82 Favored 'General case' 0 C--O 1.205 -1.277 0 CA-C-N 111.948 -2.387 . . . . 0.0 108.01 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.77 -20.41 35.93 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 176.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -89.21 -31.38 17.94 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 112.796 -2.002 . . . . 0.0 107.988 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -87.95 -18.84 28.21 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.105 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -56.51 -59.95 4.24 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.46 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -81.78 -41.36 21.27 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.461 -1.245 . . . . 0.0 112.113 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.285 -179.873 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.317 0 CA-C-O 121.346 0.593 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -92.5 -36.71 12.92 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 113.796 -1.547 . . . . 0.0 107.552 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.26 -23.61 47.23 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 113.2 -1.818 . . . . 0.0 108.024 176.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -88.53 -17.71 29.67 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 113.329 -1.76 . . . . 0.0 109.579 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.08 -24.08 22.37 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 106.514 -1.662 . . . . 0.0 106.514 177.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.55 -18.67 21.99 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 112.333 -2.212 . . . . 0.0 107.013 177.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.06 -20.99 21.46 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.61 -29.77 17.59 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 112.976 -1.92 . . . . 0.0 106.092 176.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -82.47 -18.68 40.84 Favored 'General case' 0 CA--C 1.508 -0.658 0 O-C-N 125.398 1.686 . . . . 0.0 106.807 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.23 -34.19 28.97 Favored 'General case' 0 N--CA 1.423 -1.785 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 174.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -79.52 -19.64 49.11 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 111.485 -2.598 . . . . 0.0 108.814 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.53 -18.87 24.51 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 174.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.92 -32.22 23.22 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-N 111.233 -2.712 . . . . 0.0 106.939 175.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -82.2 -26.59 33.2 Favored 'General case' 0 CA--C 1.49 -1.363 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.83 -16.89 39.84 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 111.753 -2.476 . . . . 0.0 106.973 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.53 -26.47 20.86 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.56 -29.95 23.75 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 106.444 -1.687 . . . . 0.0 106.444 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.61 -19.01 39.21 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 112.447 -2.16 . . . . 0.0 108.944 175.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.14 -30.12 20.05 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 104.475 -2.417 . . . . 0.0 104.475 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 tt -75.06 -42.99 55.86 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 112.599 -2.091 . . . . 0.0 105.979 174.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.16 -12.88 61.38 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 113.518 -1.674 . . . . 0.0 110.343 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.66 -27.88 40.83 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 124.518 1.127 . . . . 0.0 109.234 178.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.69 -32.32 46.97 Favored 'General case' 0 CA--C 1.5 -0.949 0 C-N-CA 125.756 1.623 . . . . 0.0 109.183 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -84.36 -18.9 34.65 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 111.587 -2.551 . . . . 0.0 106.351 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -85.05 -26.19 27.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 112.738 -2.028 . . . . 0.0 107.188 173.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.08 -31.55 17.09 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 114.461 -1.245 . . . . 0.0 107.799 175.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 113.344 -1.753 . . . . 0.0 113.007 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.3 -7.08 20.26 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.1 tt -95.41 -68.57 0.79 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.184 0.994 . . . . 0.0 110.271 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -59.57 -12.98 7.55 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.586 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -95.83 -40.01 9.54 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.743 1.217 . . . . 0.0 109.48 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -75.5 -12.77 60.3 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 122.041 0.924 . . . . 0.0 109.804 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -93.44 -44.16 8.39 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 113.143 -1.844 . . . . 0.0 106.802 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.79 -16.66 64.22 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 113.204 -1.816 . . . . 0.0 110.026 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.76 -26.41 16.27 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.573 -1.194 . . . . 0.0 108.084 177.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -81.38 -28.49 34.38 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 114.139 -1.392 . . . . 0.0 109.661 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -82.88 -29.84 29.02 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 126.158 1.783 . . . . 0.0 106.837 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -27.81 45.3 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 112.717 -2.038 . . . . 0.0 105.905 174.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -77.2 -28.51 53.93 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 113.54 -1.664 . . . . 0.0 109.181 175.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -44.82 89.85 Favored 'General case' 0 C--O 1.203 -1.391 0 CA-C-O 123.524 1.63 . . . . 0.0 109.414 176.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -21.28 63.99 Favored 'General case' 0 C--N 1.29 -2.003 0 CA-C-N 112.668 -2.06 . . . . 0.0 107.896 176.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.65 -38.3 8.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 113.082 -1.872 . . . . 0.0 112.247 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.83 -40.88 14.5 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.078 0.951 . . . . 0.0 110.285 -176.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -76.18 -24.35 54.74 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 114.296 -1.32 . . . . 0.0 107.771 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -83.93 -18.07 38.59 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 173.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -90.15 -23.95 21.2 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 113.622 -1.626 . . . . 0.0 107.665 175.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -89.5 -16.15 31.4 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 113.697 -1.592 . . . . 0.0 107.672 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.04 -21.57 19.65 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.52 -35.8 24.55 Favored 'General case' 0 N--CA 1.428 -1.54 0 CA-C-N 112.97 -1.923 . . . . 0.0 106.353 175.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.4 tp -76.65 -29.45 56.41 Favored 'General case' 0 C--O 1.208 -1.094 0 CA-C-N 111.758 -2.474 . . . . 0.0 108.036 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.39 -19.76 35.45 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 177.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -88.09 -32.62 18.62 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 112.893 -1.958 . . . . 0.0 107.58 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -86.32 -15.97 38.93 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.623 176.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 39.7 tp -57.12 -59.36 5.2 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.02 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -84.11 -41.28 17.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.757 -1.11 . . . . 0.0 112.009 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.278 -179.832 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.331 0 CA-C-O 121.049 0.452 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -95.72 -61.14 1.51 Allowed 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.248 -1.342 . . . . 0.0 109.822 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -31.88 67.26 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 113.62 -1.627 . . . . 0.0 112.435 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -92.19 -11.87 34.33 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.096 0.872 . . . . 0.0 110.305 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.42 -20.86 23.42 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 175.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -89.9 -36.72 14.88 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 111.241 -2.709 . . . . 0.0 106.545 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.81 -19.53 51.91 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 113.139 -1.846 . . . . 0.0 107.794 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.87 -28.84 18.97 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 175.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -80.24 -21.23 43.03 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 125.407 1.692 . . . . 0.0 106.761 176.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.6 -35.25 27.25 Favored 'General case' 0 N--CA 1.42 -1.929 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 175.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -78.87 -18.83 53.28 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 111.717 -2.492 . . . . 0.0 108.724 176.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -92.53 -16.47 25.69 Favored 'General case' 0 CA--C 1.495 -1.159 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 174.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -88.9 -24.46 22.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 111.368 -2.651 . . . . 0.0 106.957 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -91.28 -29.24 17.28 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 113.37 -1.741 . . . . 0.0 106.52 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.83 -19.03 31.27 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 111.99 -2.368 . . . . 0.0 107.982 175.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tt -86.0 -34.69 20.74 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 175.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.62 -39.04 70.72 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 112.363 -2.198 . . . . 0.0 107.772 175.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -78.86 -17.26 55.92 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 112.558 -2.11 . . . . 0.0 109.276 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.38 -31.78 19.93 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 175.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.13 -44.09 55.06 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 112.545 -2.116 . . . . 0.0 106.589 174.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.21 -13.38 61.9 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 112.692 -2.049 . . . . 0.0 110.555 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.02 -26.11 36.66 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.766 1.227 . . . . 0.0 109.281 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 tt -80.92 -44.62 17.98 Favored 'General case' 0 C--O 1.209 -1.053 0 C-N-CA 126.09 1.756 . . . . 0.0 107.077 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.65 -24.07 63.57 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 125.398 1.686 . . . . 0.0 106.736 174.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -72.6 -26.78 61.82 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 113.505 -1.679 . . . . 0.0 106.544 173.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.28 -41.05 9.24 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 113.667 -1.606 . . . . 0.0 109.593 175.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.235 0.301 0 CA-C-N 113.97 -1.468 . . . . 0.0 114.093 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 . . . . . 0 N--CA 1.469 0.509 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.01 -7.64 16.1 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -96.56 -69.15 0.77 Allowed 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.156 0.582 . . . . 0.0 112.168 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.06 -13.2 59.59 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.047 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -95.34 -37.44 10.97 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.358 1.063 . . . . 0.0 109.22 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 mmtt -76.21 -12.75 60.15 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 121.883 0.849 . . . . 0.0 109.132 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 9.1 tp -93.1 -40.27 10.6 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 113.203 -1.817 . . . . 0.0 106.787 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.78 -17.68 63.43 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 113.854 -1.521 . . . . 0.0 109.556 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.9 -25.2 16.67 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 114.096 -1.411 . . . . 0.0 108.266 177.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -87.11 -12.29 47.55 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.334 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -94.74 -32.59 13.26 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 126.045 1.738 . . . . 0.0 106.821 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -26.65 31.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 112.866 -1.97 . . . . 0.0 107.503 176.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -92.38 -13.9 29.45 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.006 176.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 6.7 tp -81.06 -40.77 23.66 Favored 'General case' 0 C--O 1.208 -1.091 0 C-N-CA 125.14 1.376 . . . . 0.0 111.418 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -17.02 55.12 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 111.691 -2.504 . . . . 0.0 107.779 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.29 -25.23 16.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 112.685 -2.052 . . . . 0.0 107.923 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.15 -42.09 12.57 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 113.729 -1.578 . . . . 0.0 106.99 177.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -71.06 -29.13 64.94 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 113.776 -1.557 . . . . 0.0 108.837 177.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.9 -28.09 55.2 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 174.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -86.22 -22.42 26.92 Favored 'General case' 0 CA--C 1.513 -0.449 0 O-C-N 125.119 1.512 . . . . 0.0 108.536 177.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -86.72 -13.62 44.84 Favored 'General case' 0 C--N 1.341 0.212 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.97 -24.96 18.21 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 112.87 -1.968 . . . . 0.0 106.557 176.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -85.9 -29.28 23.78 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 175.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.6 tp -80.82 -31.0 35.74 Favored 'General case' 0 C--O 1.208 -1.13 0 CA-C-N 111.849 -2.432 . . . . 0.0 107.949 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.68 -20.35 36.32 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 177.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -87.39 -31.78 19.92 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 113.058 -1.883 . . . . 0.0 107.55 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -86.18 -16.43 37.83 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.609 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 49.2 tp -58.73 -59.37 5.52 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.077 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -87.0 -41.87 13.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.806 -1.088 . . . . 0.0 112.076 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.283 -179.66 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.362 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tt -95.69 -61.01 1.53 Allowed 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.768 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -32.25 68.31 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 113.521 -1.672 . . . . 0.0 112.565 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -93.75 -11.46 31.34 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.254 0.971 . . . . 0.0 110.627 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.72 -23.12 23.03 Favored 'General case' 0 C--O 1.228 -0.077 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 175.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tp -91.77 -31.26 15.83 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 111.852 -2.431 . . . . 0.0 107.171 177.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.85 -19.6 40.69 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 113.7 -1.591 . . . . 0.0 107.556 176.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -29.82 17.45 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 176.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -82.05 -17.6 46.11 Favored 'General case' 0 CA--C 1.511 -0.55 0 O-C-N 125.415 1.697 . . . . 0.0 107.241 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.56 -31.83 24.15 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 175.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 14.2 t-105 -80.96 -24.0 38.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 110.901 -2.863 . . . . 0.0 109.012 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -91.88 -18.99 22.97 Favored 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -81.86 -33.34 30.65 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 111.675 -2.511 . . . . 0.0 106.277 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.2 -34.06 56.19 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-N 112.815 -1.993 . . . . 0.0 106.793 177.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.94 -15.55 53.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 111.698 -2.501 . . . . 0.0 107.508 175.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.39 -25.83 21.35 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 174.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.55 -30.3 22.0 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 113.575 -1.648 . . . . 0.0 106.794 176.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.17 -19.4 34.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 112.404 -2.18 . . . . 0.0 108.959 176.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.71 -31.4 19.72 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 104.459 -2.423 . . . . 0.0 104.459 175.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.15 -43.78 64.12 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 112.64 -2.073 . . . . 0.0 106.006 174.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.44 -16.02 62.37 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 113.568 -1.651 . . . . 0.0 110.529 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.47 -27.5 41.57 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 124.503 1.121 . . . . 0.0 109.552 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -76.06 -42.67 46.78 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 125.999 1.72 . . . . 0.0 108.182 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.09 -22.87 61.29 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 112.506 -2.134 . . . . 0.0 107.669 176.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -84.37 -34.92 23.51 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 113.06 -1.882 . . . . 0.0 107.698 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.79 -37.07 65.08 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 175.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-N 112.692 -2.049 . . . . 0.0 109.674 176.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.55 -14.08 17.61 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -97.07 -68.59 0.79 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.182 0.993 . . . . 0.0 111.006 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -55.47 -15.5 2.8 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 114.022 -1.444 . . . . 0.0 111.986 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -95.87 -40.27 9.4 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.583 1.153 . . . . 0.0 109.365 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -75.78 -12.32 60.16 Favored 'General case' 0 N--CA 1.486 1.325 0 CA-C-O 121.944 0.878 . . . . 0.0 109.874 177.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.33 -45.65 7.72 Favored 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 126.376 1.87 . . . . 0.0 106.772 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.65 -14.85 63.29 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 113.278 -1.783 . . . . 0.0 110.463 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.13 -27.75 15.41 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.517 1.127 . . . . 0.0 108.24 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 tp -81.08 -32.83 33.75 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.004 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -78.72 -30.24 45.81 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 126.676 1.99 . . . . 0.0 107.72 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -31.83 43.9 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 113.083 -1.871 . . . . 0.0 106.763 175.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -86.23 -14.96 42.32 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 113.929 -1.487 . . . . 0.0 110.804 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 tp -87.18 -29.89 21.42 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 124.189 0.996 . . . . 0.0 110.73 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.42 -19.05 34.11 Favored 'General case' 0 C--N 1.309 -1.171 0 C-N-CA 126.767 2.027 . . . . 0.0 106.657 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.26 -16.28 22.58 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 112.529 -2.123 . . . . 0.0 106.692 177.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.83 -42.47 9.51 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 112.946 -1.934 . . . . 0.0 105.903 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -77.02 -27.0 54.4 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 113.518 -1.673 . . . . 0.0 109.499 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -80.47 -18.4 48.78 Favored 'General case' 0 C--N 1.345 0.395 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 174.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -93.43 -25.86 17.47 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 113.442 -1.708 . . . . 0.0 108.806 176.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.07 -16.44 31.57 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 114.317 -1.31 . . . . 0.0 108.64 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.96 -21.17 19.94 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 105.804 -1.924 . . . . 0.0 105.804 176.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.87 -37.36 22.52 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-N 112.932 -1.94 . . . . 0.0 106.58 176.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 7.2 tp -78.07 -27.64 48.62 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-N 112.091 -2.322 . . . . 0.0 108.337 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.36 -20.7 33.79 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 177.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -89.12 -31.7 17.87 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 112.94 -1.936 . . . . 0.0 108.092 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -87.11 -19.48 28.47 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.134 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -58.29 -60.34 3.93 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.465 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -93.48 -42.35 9.3 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.601 -1.182 . . . . 0.0 111.66 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.178 0 C-N-CA 124.345 1.058 . . . . 0.0 112.299 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.43 0 CA-C-O 121.965 0.888 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 10.3 mp -94.22 -52.4 4.38 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 112.868 -1.969 . . . . 0.0 108.976 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.36 -30.48 64.88 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 113.517 -1.674 . . . . 0.0 111.047 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -87.43 -23.31 24.54 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 114.569 -1.196 . . . . 0.0 109.988 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -19.19 37.18 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tt -89.03 -34.35 16.84 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 111.145 -2.752 . . . . 0.0 105.892 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.05 -22.85 48.49 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 112.839 -1.982 . . . . 0.0 108.447 176.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -84.85 -37.73 20.33 Favored 'General case' 0 CA--C 1.49 -1.348 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -73.09 -20.23 60.99 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 111.536 -2.575 . . . . 0.0 108.418 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.63 -31.72 24.07 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 175.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -80.23 -23.44 40.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 110.951 -2.84 . . . . 0.0 108.845 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -92.2 -17.59 24.64 Favored 'General case' 0 CA--C 1.497 -1.093 0 N-CA-C 106.233 -1.766 . . . . 0.0 106.233 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -83.12 -31.16 27.38 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 111.671 -2.513 . . . . 0.0 106.018 174.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.99 -34.5 32.94 Favored 'General case' 0 N--CA 1.433 -1.318 0 CA-C-N 112.835 -1.984 . . . . 0.0 107.353 177.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.07 -17.24 47.32 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 111.986 -2.37 . . . . 0.0 107.896 175.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 tp -83.34 -37.53 23.25 Favored 'General case' 0 CA--C 1.495 -1.154 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.27 -40.15 59.08 Favored 'General case' 0 C--O 1.205 -1.237 0 CA-C-N 111.713 -2.494 . . . . 0.0 106.504 175.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -12.16 61.35 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 113.642 -1.617 . . . . 0.0 108.345 176.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.63 -34.5 10.92 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 174.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.88 -53.23 4.48 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 113.297 -1.774 . . . . 0.0 112.532 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.77 -12.6 41.68 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -176.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.45 -26.05 24.89 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tt -70.55 -46.89 62.7 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 113.663 -1.608 . . . . 0.0 107.235 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -25.55 64.44 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 125.522 1.764 . . . . 0.0 107.166 174.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -76.41 -24.14 54.04 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.331 -1.758 . . . . 0.0 107.055 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.1 -40.36 9.66 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 114.121 -1.399 . . . . 0.0 109.227 175.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.235 0.333 0 CA-C-N 113.699 -1.591 . . . . 0.0 114.057 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 111.531 0.197 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.5 -8.36 17.1 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 tt -96.77 -69.16 0.77 Allowed 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.792 0.837 . . . . 0.0 110.635 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.73 -13.01 12.3 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 114.343 -1.299 . . . . 0.0 112.039 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -95.85 -41.34 8.87 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.513 1.125 . . . . 0.0 109.503 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -75.57 -12.58 60.25 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.907 177.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.43 -44.43 8.26 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 113.456 -1.702 . . . . 0.0 106.732 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.91 -19.8 66.12 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 113.248 -1.796 . . . . 0.0 110.006 176.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.01 -25.63 17.88 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.286 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.55 -14.89 41.6 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.857 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -95.05 -30.57 14.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 113.256 -1.793 . . . . 0.0 106.29 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -30.62 41.1 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 112.621 -2.081 . . . . 0.0 106.541 175.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -81.98 -13.85 56.84 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 113.945 -1.48 . . . . 0.0 109.351 175.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -87.92 -19.72 26.92 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 125.012 1.325 . . . . 0.0 109.736 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -19.41 19.84 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 105.971 -1.863 . . . . 0.0 105.971 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.29 -25.85 16.17 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 112.117 -2.31 . . . . 0.0 108.223 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.43 -40.42 13.51 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -68.79 -29.23 67.54 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 114.015 -1.448 . . . . 0.0 108.762 175.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -81.49 -17.7 47.71 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 174.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -91.38 -23.95 19.91 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 113.765 -1.562 . . . . 0.0 107.704 176.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -87.76 -16.18 34.92 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 113.658 -1.61 . . . . 0.0 107.555 176.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.02 -21.84 19.51 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 176.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -35.8 22.86 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 112.875 -1.966 . . . . 0.0 106.387 175.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 tp -76.01 -30.01 58.36 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-N 111.93 -2.395 . . . . 0.0 107.921 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.58 -19.68 35.12 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.74 -32.47 19.13 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 112.741 -2.027 . . . . 0.0 107.484 176.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -86.17 -17.15 35.65 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.287 -1.324 . . . . 0.0 109.613 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.12 -59.18 5.47 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.86 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -86.73 -42.04 13.67 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.639 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.23 0 C-N-CA 124.441 1.097 . . . . 0.0 112.212 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 tt -96.17 -61.83 1.38 Allowed 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 114.286 -1.324 . . . . 0.0 110.173 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -32.44 71.77 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 113.469 -1.696 . . . . 0.0 112.791 -178.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -93.72 -10.96 32.57 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 124.288 0.992 . . . . 0.0 110.543 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.1 -24.81 22.17 Favored 'General case' 0 C--O 1.225 -0.187 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 175.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.87 -21.72 19.08 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 112.125 -2.307 . . . . 0.0 107.508 177.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.88 -20.21 22.5 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.77 -30.34 17.08 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 113.283 -1.78 . . . . 0.0 106.248 175.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -80.68 -20.01 43.93 Favored 'General case' 0 CA--C 1.508 -0.655 0 O-C-N 125.268 1.605 . . . . 0.0 106.743 176.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.54 -36.29 26.47 Favored 'General case' 0 N--CA 1.422 -1.862 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 175.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -78.16 -19.55 53.75 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 111.805 -2.452 . . . . 0.0 108.844 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -92.48 -15.84 26.57 Favored 'General case' 0 CA--C 1.494 -1.194 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 174.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -89.94 -24.71 21.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 111.352 -2.658 . . . . 0.0 107.295 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -92.94 -28.73 16.27 Favored 'General case' 0 CA--C 1.496 -1.135 0 CA-C-N 113.389 -1.732 . . . . 0.0 106.617 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.0 -17.82 32.11 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 112.125 -2.307 . . . . 0.0 107.952 175.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 tt -85.61 -36.01 20.63 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 105.225 -2.139 . . . . 0.0 105.225 175.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -41.82 63.68 Favored 'General case' 0 N--CA 1.431 -1.399 0 CA-C-N 112.092 -2.322 . . . . 0.0 108.602 176.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -77.04 -15.68 59.52 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 113.334 -1.757 . . . . 0.0 109.499 176.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.91 -31.92 16.2 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 104.264 -2.495 . . . . 0.0 104.264 175.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 tt -74.69 -48.38 26.32 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 112.405 -2.18 . . . . 0.0 106.886 175.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.43 -13.13 62.0 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.365 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.23 -21.5 24.47 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.997 0.919 . . . . 0.0 109.469 178.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -84.57 -42.79 15.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 113.259 -1.791 . . . . 0.0 108.637 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.53 -27.29 55.91 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 112.702 -2.045 . . . . 0.0 108.434 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -86.43 -25.07 25.43 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 124.918 1.386 . . . . 0.0 107.689 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.41 -37.32 65.96 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 105.464 -2.05 . . . . 0.0 105.464 174.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.651 0 CA-C-N 111.455 -2.612 . . . . 0.0 110.935 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.514 0 CA-C-O 120.366 0.127 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.31 -10.71 15.31 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.1 mt -97.06 -70.15 0.73 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.384 0.612 . . . . 0.0 112.082 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.98 -12.89 41.97 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.964 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -95.89 -38.71 10.15 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.364 1.066 . . . . 0.0 109.728 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -76.03 -12.58 60.15 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 121.975 0.893 . . . . 0.0 109.517 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.5 -43.73 8.58 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 113.125 -1.852 . . . . 0.0 106.735 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.88 -18.96 65.63 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 112.988 -1.915 . . . . 0.0 110.008 176.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.33 -24.26 18.18 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.263 177.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -86.11 -16.16 38.87 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 114.168 -1.378 . . . . 0.0 109.439 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -94.61 -29.18 14.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.491 -1.686 . . . . 0.0 107.119 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -29.64 25.74 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 112.885 -1.961 . . . . 0.0 107.239 175.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -84.91 -18.29 35.16 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.8 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tp -72.34 -38.07 68.71 Favored 'General case' 0 C--O 1.205 -1.277 0 CA-C-O 123.436 1.589 . . . . 0.0 110.222 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -19.51 61.06 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 111.528 -2.578 . . . . 0.0 107.515 177.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.11 -33.42 10.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 112.962 -1.927 . . . . 0.0 111.651 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.91 -40.63 11.61 Favored 'General case' 0 CA--C 1.51 -0.562 0 O-C-N 124.125 0.891 . . . . 0.0 109.815 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -78.91 -21.81 46.8 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 114.494 -1.23 . . . . 0.0 108.52 177.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -84.03 -17.83 39.08 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 173.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -92.0 -24.14 19.31 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 113.436 -1.711 . . . . 0.0 107.994 176.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -90.39 -15.08 31.69 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-N 114.01 -1.45 . . . . 0.0 107.798 176.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.99 -21.73 19.59 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 175.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -36.57 23.86 Favored 'General case' 0 N--CA 1.427 -1.604 0 CA-C-N 112.764 -2.016 . . . . 0.0 106.448 176.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 8.3 tp -77.83 -28.1 50.13 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-N 111.959 -2.382 . . . . 0.0 108.186 176.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.1 -20.25 35.21 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 176.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -89.03 -32.86 17.38 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 112.814 -1.994 . . . . 0.0 107.952 176.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -86.48 -17.52 34.0 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.026 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.01 -60.18 4.12 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.211 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -91.38 -42.38 10.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.615 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.168 0 C-N-CA 124.412 1.085 . . . . 0.0 112.245 -179.944 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.381 0 CA-C-O 121.0 0.428 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -86.63 -34.93 19.67 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.346 -1.297 . . . . 0.0 107.575 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.36 -23.6 43.25 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 113.054 -1.885 . . . . 0.0 108.019 176.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -89.75 -18.26 26.68 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 113.38 -1.736 . . . . 0.0 109.747 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -24.8 23.49 Favored 'General case' 0 C--O 1.226 -0.145 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 176.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.52 -19.58 21.08 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 112.388 -2.187 . . . . 0.0 107.187 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.86 -21.18 21.57 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 176.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -29.44 18.16 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 113.171 -1.831 . . . . 0.0 106.158 176.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -82.1 -18.8 41.73 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 125.327 1.642 . . . . 0.0 106.827 176.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.56 -32.71 23.67 Favored 'General case' 0 N--CA 1.429 -1.519 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 175.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -80.0 -24.24 40.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 111.219 -2.719 . . . . 0.0 109.179 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -91.02 -19.7 22.9 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 176.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -82.08 -33.98 29.56 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 111.702 -2.499 . . . . 0.0 106.413 175.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -33.83 58.2 Favored 'General case' 0 N--CA 1.435 -1.223 0 C-N-CA 126.425 1.89 . . . . 0.0 106.961 177.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.86 -16.18 51.6 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 111.775 -2.466 . . . . 0.0 107.641 175.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.4 -26.8 20.83 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.68 -30.94 21.32 Favored 'General case' 0 CA--C 1.499 -1.003 0 CA-C-N 113.558 -1.655 . . . . 0.0 106.886 176.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.14 -18.62 38.81 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 112.7 -2.046 . . . . 0.0 109.105 176.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.1 -31.4 19.24 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 175.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tt -73.98 -43.33 58.48 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 112.663 -2.062 . . . . 0.0 106.578 174.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.43 -12.81 60.6 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 113.481 -1.69 . . . . 0.0 110.534 177.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.59 -30.15 56.86 Favored 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 124.587 1.155 . . . . 0.0 109.791 178.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tt -77.88 -40.54 39.64 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 125.868 1.667 . . . . 0.0 108.777 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.44 -22.82 57.04 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 112.624 -2.08 . . . . 0.0 107.62 176.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -85.11 -34.71 22.13 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 113.215 -1.811 . . . . 0.0 107.827 174.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.12 -34.92 68.96 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 174.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.45 -0.442 0 CA-C-N 112.155 -2.293 . . . . 0.0 109.806 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.34 -19.5 13.45 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 tt -97.38 -69.62 0.75 Allowed 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 123.517 0.727 . . . . 0.0 111.461 -178.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.54 -14.22 39.74 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 114.643 -1.162 . . . . 0.0 112.416 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -95.67 -40.36 9.43 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 124.381 1.073 . . . . 0.0 109.679 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -75.81 -12.33 60.15 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 121.846 0.831 . . . . 0.0 109.71 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -93.35 -44.52 8.25 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 113.317 -1.765 . . . . 0.0 106.736 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.42 -19.74 65.71 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 113.362 -1.745 . . . . 0.0 109.891 176.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.94 -25.85 17.84 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 114.241 -1.345 . . . . 0.0 108.261 177.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -87.5 -10.99 50.22 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.465 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -95.06 -33.23 12.77 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 113.128 -1.851 . . . . 0.0 106.396 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -30.23 35.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 112.41 -2.177 . . . . 0.0 107.25 175.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -84.29 -14.11 50.65 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.567 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 10.8 tp -84.34 -30.97 25.07 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 124.933 1.293 . . . . 0.0 110.537 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.27 -18.94 34.78 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 127.119 2.168 . . . . 0.0 106.66 177.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.88 -18.05 21.5 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 112.332 -2.213 . . . . 0.0 106.613 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.41 -41.23 12.22 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 112.749 -2.023 . . . . 0.0 105.63 176.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -74.46 -28.11 60.89 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 113.294 -1.775 . . . . 0.0 108.861 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -81.97 -17.32 47.37 Favored 'General case' 0 C--N 1.346 0.444 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 174.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -92.4 -24.44 18.87 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 113.663 -1.608 . . . . 0.0 107.935 176.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -89.53 -15.25 33.35 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 113.831 -1.531 . . . . 0.0 107.933 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.92 -21.95 19.51 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 175.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.89 -36.52 23.3 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-N 112.693 -2.049 . . . . 0.0 106.474 176.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.2 tp -77.27 -28.4 53.47 Favored 'General case' 0 C--O 1.206 -1.188 0 CA-C-N 111.937 -2.392 . . . . 0.0 108.086 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.1 -20.22 35.26 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -89.2 -32.02 17.64 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 112.82 -1.991 . . . . 0.0 107.836 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -86.25 -19.53 29.81 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.453 -1.248 . . . . 0.0 109.924 176.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mt -57.95 -60.3 3.92 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.405 178.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -93.04 -42.34 9.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.609 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.16 0 C-N-CA 124.375 1.07 . . . . 0.0 112.252 -179.927 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 111.716 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 7.5 tt -95.89 -62.28 1.31 Allowed 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.813 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -32.09 67.36 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 113.37 -1.741 . . . . 0.0 112.423 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -93.98 -11.0 31.8 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.236 0.96 . . . . 0.0 110.602 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.67 -24.07 22.85 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 175.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 tp -89.32 -36.09 15.74 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 111.52 -2.582 . . . . 0.0 106.937 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.02 -17.06 53.79 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 125.331 1.645 . . . . 0.0 107.67 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.15 -28.08 22.67 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 104.97 -2.233 . . . . 0.0 104.97 174.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -82.69 -21.43 34.88 Favored 'General case' 0 C--N 1.343 0.325 0 O-C-N 125.851 1.97 . . . . 0.0 107.334 176.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -85.8 -28.57 24.42 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 104.911 -2.255 . . . . 0.0 104.911 175.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -83.18 -18.93 37.63 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 111.729 -2.487 . . . . 0.0 108.679 176.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.36 -18.62 25.18 Favored 'General case' 0 CA--C 1.493 -1.235 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 174.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.63 -34.42 23.09 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 110.943 -2.844 . . . . 0.0 106.804 175.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -82.64 -26.9 31.76 Favored 'General case' 0 CA--C 1.492 -1.259 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.43 -17.92 37.65 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 112.183 -2.28 . . . . 0.0 107.323 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 tt -86.58 -38.5 17.08 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 113.664 -1.607 . . . . 0.0 106.772 176.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -78.08 -24.47 47.6 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 125.443 1.714 . . . . 0.0 107.454 175.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.81 -15.71 47.31 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 112.908 -1.951 . . . . 0.0 107.935 175.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.18 -29.63 12.73 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 113.335 -1.757 . . . . 0.0 107.471 175.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.18 -47.42 7.8 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 113.549 -1.66 . . . . 0.0 112.21 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.0 -12.08 31.56 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.808 1.411 . . . . 0.0 114.808 -177.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -94.4 -42.64 8.77 Favored 'General case' 0 C--O 1.198 -1.631 0 CA-C-N 118.307 0.503 . . . . 0.0 110.684 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -61.69 -35.48 78.14 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 125.743 1.902 . . . . 0.0 110.895 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -80.68 -26.64 37.43 Favored 'General case' 0 CA--C 1.495 -1.139 0 CA-C-N 112.069 -2.332 . . . . 0.0 107.846 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -83.09 -32.26 26.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 112.009 -2.36 . . . . 0.0 108.566 175.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.84 -32.8 59.95 Favored 'General case' 0 CA--C 1.496 -1.1 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 N--CA 1.448 -0.53 0 CA-C-N 112.284 -2.235 . . . . 0.0 109.182 176.056 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.98 -7.61 16.13 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.0 tt -96.04 -68.63 0.79 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.044 0.938 . . . . 0.0 110.08 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.13 -14.01 14.88 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 114.589 -1.187 . . . . 0.0 112.022 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -95.67 -39.07 10.08 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.547 1.139 . . . . 0.0 109.395 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -75.84 -12.73 60.22 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.938 0.875 . . . . 0.0 109.755 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.18 -44.02 8.55 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 113.118 -1.855 . . . . 0.0 106.835 178.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.02 -19.21 65.78 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 113.288 -1.778 . . . . 0.0 109.808 176.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.33 -26.41 17.3 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 114.382 -1.281 . . . . 0.0 108.385 177.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.67 -13.07 49.68 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.572 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -94.36 -29.14 15.16 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 178.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -81.79 -30.29 32.33 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 112.398 -2.183 . . . . 0.0 106.291 175.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -84.58 -13.86 50.49 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.656 175.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -87.77 -16.67 33.53 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 124.447 1.099 . . . . 0.0 109.622 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.63 -21.0 18.5 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 112.543 -2.117 . . . . 0.0 105.519 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.92 -20.28 19.54 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 111.954 -2.384 . . . . 0.0 107.161 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.47 -36.16 16.62 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 176.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -77.06 -28.04 54.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 112.891 -1.959 . . . . 0.0 108.216 176.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -83.33 -16.97 44.05 Favored 'General case' 0 C--N 1.346 0.446 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 174.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.11 -22.39 19.92 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-N 113.51 -1.677 . . . . 0.0 107.524 176.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -90.58 -15.82 29.87 Favored 'General case' 0 C--N 1.343 0.294 0 CA-C-N 113.784 -1.553 . . . . 0.0 107.511 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.91 -21.83 19.6 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.78 -36.59 23.46 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-N 112.722 -2.035 . . . . 0.0 106.225 175.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 tp -74.56 -31.54 62.12 Favored 'General case' 0 C--O 1.201 -1.48 0 CA-C-N 111.998 -2.365 . . . . 0.0 107.714 175.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.39 -20.98 42.78 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 177.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -89.18 -30.42 18.58 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 112.965 -1.925 . . . . 0.0 108.108 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -87.62 -21.5 25.29 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.903 177.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.23 -60.07 4.12 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 121.684 0.754 . . . . 0.0 111.921 178.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -86.69 -43.35 12.66 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 113.61 -1.632 . . . . 0.0 112.049 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.201 0 C-N-CA 124.249 1.02 . . . . 0.0 112.297 -179.843 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.303 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tt -95.58 -58.45 2.11 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 125.122 1.369 . . . . 0.0 110.18 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -32.51 69.6 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 113.567 -1.651 . . . . 0.0 112.42 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -93.53 -11.05 32.81 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 124.115 0.885 . . . . 0.0 110.365 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.77 -23.13 22.97 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 175.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.98 -31.51 17.19 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 111.448 -2.614 . . . . 0.0 106.693 177.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.39 -16.61 42.14 Favored 'General case' 0 CA--C 1.511 -0.52 0 O-C-N 125.187 1.554 . . . . 0.0 106.863 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.82 -28.91 22.64 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 104.602 -2.369 . . . . 0.0 104.602 174.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -83.97 -18.79 36.07 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 112.915 -1.948 . . . . 0.0 107.589 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.25 -22.1 24.13 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 104.91 -2.255 . . . . 0.0 104.91 174.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -87.23 -22.95 24.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 110.699 -2.955 . . . . 0.0 108.374 176.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -93.05 -16.79 24.61 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 175.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.44 -25.49 26.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 111.601 -2.545 . . . . 0.0 106.272 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.06 -35.13 18.9 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 112.31 -2.223 . . . . 0.0 107.137 177.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.6 -16.92 46.62 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 112.14 -2.3 . . . . 0.0 108.176 176.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 tt -85.6 -36.04 20.63 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 105.269 -2.123 . . . . 0.0 105.269 174.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.14 -39.34 72.02 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-N 111.853 -2.43 . . . . 0.0 107.789 175.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.3 -16.03 57.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 112.496 -2.138 . . . . 0.0 109.283 176.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.2 -32.23 19.91 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 104.364 -2.458 . . . . 0.0 104.364 175.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.32 -41.86 55.85 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 112.531 -2.122 . . . . 0.0 107.156 174.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.72 -12.49 60.2 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 112.309 -2.223 . . . . 0.0 110.444 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -30.92 62.52 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 124.716 1.206 . . . . 0.0 109.263 178.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mp -73.86 -49.68 23.89 Favored 'General case' 0 C--O 1.202 -1.439 0 CA-C-N 113.625 -1.625 . . . . 0.0 107.322 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -21.06 66.17 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 125.92 2.012 . . . . 0.0 107.85 175.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -79.89 -27.4 40.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 113.548 -1.66 . . . . 0.0 107.039 173.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.5 -37.24 11.49 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 113.949 -1.478 . . . . 0.0 109.115 175.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 113.319 -1.764 . . . . 0.0 113.207 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 . . . . . 0 N--CA 1.469 0.492 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.5 -13.66 24.34 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.53 -69.43 0.76 Allowed 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.873 0.844 . . . . 0.0 111.616 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -58.64 -16.73 17.45 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 113.528 -1.669 . . . . 0.0 112.299 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -95.5 -36.52 11.27 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 124.195 0.998 . . . . 0.0 109.447 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -74.53 -12.85 60.58 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 122.214 1.007 . . . . 0.0 109.357 176.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mp -93.68 -43.89 8.43 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 112.866 -1.97 . . . . 0.0 106.731 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.71 -15.0 62.66 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 112.992 -1.913 . . . . 0.0 110.233 176.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.3 -26.87 16.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 177.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 49.1 tp -74.16 -44.17 54.53 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 113.591 -1.64 . . . . 0.0 109.278 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -70.55 -28.88 65.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 112.545 -2.116 . . . . 0.0 108.188 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -79.47 -29.05 41.54 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 174.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -76.33 -27.88 56.69 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 113.422 -1.717 . . . . 0.0 108.866 175.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mp -62.44 -47.7 82.91 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-O 123.539 1.638 . . . . 0.0 108.396 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -25.17 5.69 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 113.118 -1.855 . . . . 0.0 108.285 176.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.53 -35.56 9.11 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 112.61 -2.086 . . . . 0.0 112.44 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.24 -46.69 9.49 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 124.268 1.027 . . . . 0.0 109.886 -177.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -71.47 -25.28 62.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.119 -1.4 . . . . 0.0 108.279 176.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -84.18 -17.04 41.25 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 174.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.2 -23.06 19.49 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 113.635 -1.621 . . . . 0.0 107.455 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -89.89 -16.16 30.62 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 113.714 -1.585 . . . . 0.0 107.648 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.0 -21.33 19.82 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 106.109 -1.812 . . . . 0.0 106.109 176.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.18 -35.63 23.41 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 112.968 -1.924 . . . . 0.0 106.405 176.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.3 tp -76.76 -30.69 56.66 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 111.62 -2.536 . . . . 0.0 107.926 176.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.77 -20.2 36.32 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 177.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -85.85 -30.59 22.82 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 112.847 -1.979 . . . . 0.0 107.046 175.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -85.76 -18.1 33.96 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.029 -1.441 . . . . 0.0 109.576 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 10.2 tt -74.05 -60.34 2.31 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.658 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -76.05 -55.6 5.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.392 -1.276 . . . . 0.0 111.154 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.22 0 CA-C-N 114.628 -1.169 . . . . 0.0 112.322 179.819 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.257 0 CA-C-O 121.079 0.466 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -96.95 -53.78 3.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.275 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -32.57 74.36 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 113.616 -1.629 . . . . 0.0 112.712 -178.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -93.49 -10.84 33.57 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.233 0.958 . . . . 0.0 110.174 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.95 -23.18 22.74 Favored 'General case' 0 C--N 1.34 0.182 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 175.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp -91.8 -31.16 15.85 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 111.799 -2.455 . . . . 0.0 107.227 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.75 -20.01 36.77 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 113.515 -1.675 . . . . 0.0 107.542 176.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -29.4 18.52 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 175.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -80.63 -20.5 43.03 Favored 'General case' 0 CA--C 1.511 -0.541 0 O-C-N 125.439 1.712 . . . . 0.0 106.795 176.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.9 -35.41 26.16 Favored 'General case' 0 N--CA 1.42 -1.942 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 175.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -78.18 -19.39 54.01 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 111.804 -2.453 . . . . 0.0 108.689 176.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -92.2 -16.82 25.71 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -88.95 -23.9 22.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 111.315 -2.675 . . . . 0.0 107.201 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -91.07 -28.92 17.63 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 113.344 -1.753 . . . . 0.0 106.312 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.69 -19.43 30.88 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 111.995 -2.366 . . . . 0.0 107.858 175.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.51 -33.66 21.75 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 175.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.55 -39.06 65.0 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-N 112.466 -2.152 . . . . 0.0 107.915 175.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -77.41 -17.01 58.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 112.68 -2.054 . . . . 0.0 108.932 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.67 -31.14 18.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 104.602 -2.369 . . . . 0.0 104.602 175.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 tt -75.89 -41.12 52.97 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 112.541 -2.118 . . . . 0.0 106.574 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.74 -12.79 60.04 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 113.345 -1.752 . . . . 0.0 110.369 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.77 -28.87 61.89 Favored 'General case' 0 C--O 1.215 -0.738 0 C-N-CA 124.744 1.218 . . . . 0.0 110.167 178.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -29.29 33.0 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 125.426 1.49 . . . . 0.0 109.294 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -85.6 -21.14 28.62 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 111.904 -2.407 . . . . 0.0 106.589 177.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -88.36 -30.98 19.13 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 112.928 -1.942 . . . . 0.0 107.87 174.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.19 -31.1 60.86 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 174.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 N--CA 1.45 -0.471 0 CA-C-N 111.753 -2.476 . . . . 0.0 111.59 177.536 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 . . . . . 0 N--CA 1.47 0.561 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.54 -7.13 0.37 Allowed 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.92 -69.35 0.76 Allowed 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 123.627 0.771 . . . . 0.0 109.761 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -56.77 -14.23 3.19 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 113.743 -1.572 . . . . 0.0 111.926 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -95.97 -42.02 8.49 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.812 1.245 . . . . 0.0 109.344 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -76.69 -12.3 59.98 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.159 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -92.78 -44.16 8.66 Favored 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 126.026 1.73 . . . . 0.0 106.937 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.85 -16.57 63.81 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 113.529 -1.669 . . . . 0.0 109.981 176.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.9 -25.99 16.34 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 114.568 -1.196 . . . . 0.0 107.81 177.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 tt -77.52 -41.38 39.42 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 113.916 -1.493 . . . . 0.0 109.112 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -70.19 -29.15 65.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 112.787 -2.006 . . . . 0.0 108.522 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -83.49 -29.78 27.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 113.266 -1.788 . . . . 0.0 107.199 175.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -84.45 -14.55 48.93 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.219 -1.355 . . . . 0.0 110.694 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.19 -24.0 28.08 Favored 'General case' 0 C--O 1.222 -0.349 0 C-N-CA 124.276 1.03 . . . . 0.0 110.612 178.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.83 -18.74 25.67 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 112.617 -2.083 . . . . 0.0 105.865 177.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.89 -25.3 16.63 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 111.924 -2.398 . . . . 0.0 107.611 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -40.43 18.1 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 176.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -71.16 -27.69 63.72 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 113.554 -1.657 . . . . 0.0 108.508 175.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -82.47 -18.0 43.24 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 107.348 -1.352 . . . . 0.0 107.348 174.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -92.17 -25.17 18.82 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 113.649 -1.614 . . . . 0.0 108.058 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -87.85 -15.17 37.51 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 113.787 -1.551 . . . . 0.0 107.921 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.92 -22.09 19.43 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 176.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.37 -36.39 22.5 Favored 'General case' 0 N--CA 1.426 -1.638 0 CA-C-N 112.75 -2.023 . . . . 0.0 106.355 176.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.2 tp -76.93 -28.57 55.3 Favored 'General case' 0 C--O 1.204 -1.334 0 CA-C-N 112.025 -2.352 . . . . 0.0 108.081 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.86 -20.27 35.87 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 176.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.22 -32.33 17.48 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 112.876 -1.965 . . . . 0.0 107.944 176.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -87.39 -17.45 32.28 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.228 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 mt -58.53 -60.27 4.07 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.499 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.14 -42.13 39.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.644 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.135 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.197 -179.924 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.311 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -96.37 -51.7 4.26 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.536 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -31.53 71.91 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 113.934 -1.485 . . . . 0.0 112.399 -178.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -92.53 -11.8 33.55 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.286 0.991 . . . . 0.0 109.969 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.99 -24.36 22.41 Favored 'General case' 0 C--O 1.225 -0.185 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 175.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.64 -20.23 20.39 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 112.107 -2.315 . . . . 0.0 107.251 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.85 -19.53 22.42 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.48 -22.69 18.71 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 175.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -87.0 -21.47 26.12 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 113.162 -1.835 . . . . 0.0 106.308 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.76 -36.91 21.43 Favored 'General case' 0 N--CA 1.427 -1.593 0 CA-C-N 113.138 -1.846 . . . . 0.0 106.393 176.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -78.52 -16.78 57.09 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 112.445 -2.161 . . . . 0.0 108.386 176.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.46 -30.63 21.87 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 175.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 tt -77.21 -38.38 51.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 110.889 -2.869 . . . . 0.0 107.587 176.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -75.54 -27.79 58.8 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 113.362 -1.745 . . . . 0.0 106.831 176.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.2 -29.41 38.61 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 111.839 -2.437 . . . . 0.0 107.468 175.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 tp -77.76 -30.93 51.73 Favored 'General case' 0 CA--C 1.51 -0.564 0 O-C-N 125.211 1.569 . . . . 0.0 107.248 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -36.72 61.92 Favored 'General case' 0 N--CA 1.425 -1.681 0 CA-C-N 112.504 -2.134 . . . . 0.0 106.797 175.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -77.49 -18.92 56.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 112.241 -2.254 . . . . 0.0 109.356 175.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -84.16 -40.67 17.9 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 104.271 -2.492 . . . . 0.0 104.271 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 tt -65.29 -44.27 88.52 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 110.784 -2.917 . . . . 0.0 107.135 174.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.94 -14.08 60.99 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 113.935 -1.484 . . . . 0.0 110.807 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.87 -26.98 44.02 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.281 1.033 . . . . 0.0 109.436 178.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.84 -34.2 45.36 Favored 'General case' 0 CA--C 1.5 -0.958 0 C-N-CA 125.679 1.592 . . . . 0.0 108.802 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.26 -21.87 39.09 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 111.603 -2.544 . . . . 0.0 106.343 175.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -80.31 -26.43 38.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 112.989 -1.914 . . . . 0.0 106.928 173.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.59 -34.62 15.42 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.311 -1.313 . . . . 0.0 108.387 175.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 113.54 -1.664 . . . . 0.0 112.872 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.469 0.507 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.77 -6.17 19.84 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.3 tt -93.16 -61.93 1.48 Allowed 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.529 1.131 . . . . 0.0 108.948 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -59.91 -13.35 10.56 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.603 177.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -95.37 -37.98 10.71 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.245 1.418 . . . . 0.0 109.017 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -73.38 -14.01 61.2 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 122.168 0.985 . . . . 0.0 109.486 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 mp -93.63 -44.34 8.23 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 112.902 -1.954 . . . . 0.0 106.855 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.33 -15.28 63.5 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 113.127 -1.851 . . . . 0.0 110.056 176.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.13 -26.88 15.83 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 124.841 1.257 . . . . 0.0 107.954 177.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -80.75 -29.44 36.25 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 113.913 -1.494 . . . . 0.0 109.329 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -82.88 -30.67 28.39 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 126.513 1.925 . . . . 0.0 107.05 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -26.4 50.43 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 112.917 -1.947 . . . . 0.0 105.791 174.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -75.5 -34.51 60.83 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 113.339 -1.755 . . . . 0.0 108.59 174.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -49.25 75.79 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 123.343 1.544 . . . . 0.0 109.512 177.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.63 -29.1 1.12 Allowed 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 113.352 -1.749 . . . . 0.0 108.186 176.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.37 -31.36 10.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 112.393 -2.185 . . . . 0.0 112.999 176.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.61 -45.27 8.17 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.975 0.91 . . . . 0.0 109.528 -176.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.51 -27.82 61.58 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.698 -1.137 . . . . 0.0 108.008 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -78.22 -27.17 47.71 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -83.73 -21.77 32.18 Favored 'General case' 0 CA--C 1.509 -0.597 0 O-C-N 125.117 1.51 . . . . 0.0 108.142 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -86.47 -14.49 43.01 Favored 'General case' 0 C--N 1.34 0.195 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 175.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.3 -25.18 17.86 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 112.84 -1.982 . . . . 0.0 106.818 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -85.61 -28.79 24.57 Favored 'General case' 0 CA--C 1.494 -1.173 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 176.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.9 tp -80.84 -31.05 35.62 Favored 'General case' 0 C--O 1.207 -1.148 0 CA-C-N 111.823 -2.444 . . . . 0.0 107.989 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.22 -20.53 37.52 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 106.584 -1.635 . . . . 0.0 106.584 177.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -89.02 -31.71 17.95 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 113.056 -1.883 . . . . 0.0 108.025 176.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -86.24 -19.89 29.28 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.864 176.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.57 -60.19 4.05 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.408 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -91.3 -42.49 10.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.574 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 C-N-CA 124.379 1.071 . . . . 0.0 112.292 -179.933 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 121.002 0.43 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 tt -95.75 -61.47 1.45 Allowed 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.273 -1.33 . . . . 0.0 109.951 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -32.33 69.22 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 113.574 -1.648 . . . . 0.0 112.456 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -90.71 -17.7 26.31 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 123.974 0.796 . . . . 0.0 110.494 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.46 -22.2 32.65 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -89.78 -30.04 18.26 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 111.573 -2.558 . . . . 0.0 106.618 177.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.84 -21.98 40.32 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 113.31 -1.768 . . . . 0.0 107.886 175.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -85.18 -38.72 18.67 Favored 'General case' 0 CA--C 1.488 -1.412 0 N-CA-C 105.915 -1.883 . . . . 0.0 105.915 175.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -72.94 -20.18 61.1 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 111.814 -2.448 . . . . 0.0 108.429 176.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.15 -32.19 24.79 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 175.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -80.0 -23.35 41.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 110.936 -2.847 . . . . 0.0 108.862 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.36 -16.02 25.09 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 175.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -86.66 -25.05 25.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 111.792 -2.458 . . . . 0.0 106.17 174.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.8 -34.3 18.32 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-N 112.521 -2.127 . . . . 0.0 107.487 177.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.45 -16.67 41.75 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 112.218 -2.265 . . . . 0.0 108.163 175.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 tt -86.27 -36.07 19.57 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 104.72 -2.326 . . . . 0.0 104.72 175.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.36 -45.58 62.55 Favored 'General case' 0 N--CA 1.427 -1.608 0 CA-C-N 112.224 -2.262 . . . . 0.0 107.389 174.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -68.19 -10.88 57.64 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.104 -1.407 . . . . 0.0 108.401 175.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.65 -33.46 11.31 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 174.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.04 -56.09 3.3 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 113.207 -1.815 . . . . 0.0 111.908 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.82 -12.35 55.73 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 -176.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.07 -23.24 19.54 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.69 -38.7 62.31 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 126.243 1.817 . . . . 0.0 108.608 177.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.19 -24.29 51.43 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-N 112.684 -2.053 . . . . 0.0 107.116 176.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -83.81 -33.94 24.83 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 112.592 -2.094 . . . . 0.0 108.207 175.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.54 -34.25 65.11 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 105.609 -1.997 . . . . 0.0 105.609 174.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.451 -0.407 0 CA-C-N 112.144 -2.298 . . . . 0.0 109.385 176.444 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 . . . . . 0 N--CA 1.468 0.469 0 CA-C-O 120.563 0.22 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -105.73 -7.05 18.63 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.2 tt -96.44 -69.39 0.76 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.454 0.702 . . . . 0.0 111.035 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -63.45 -13.37 39.68 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 114.812 -1.085 . . . . 0.0 112.224 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -95.79 -40.67 9.23 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.353 1.061 . . . . 0.0 109.811 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -76.19 -12.4 60.09 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.689 0.757 . . . . 0.0 109.874 177.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -93.26 -44.58 8.25 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-N 113.472 -1.694 . . . . 0.0 106.755 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.38 -19.26 65.87 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 113.263 -1.79 . . . . 0.0 110.047 176.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.57 -26.7 17.0 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.326 -1.306 . . . . 0.0 108.44 177.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.7 -10.66 53.23 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 124.62 1.2 . . . . 0.0 109.744 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -94.9 -30.91 13.92 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.293 -1.776 . . . . 0.0 106.649 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -86.67 -29.54 22.41 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 112.456 -2.156 . . . . 0.0 107.786 176.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -88.06 -14.28 39.34 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.511 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.17 -28.8 57.46 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 125.253 1.421 . . . . 0.0 111.298 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.2 -19.21 27.18 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 126.356 1.863 . . . . 0.0 106.502 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.7 -18.73 20.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 112.581 -2.1 . . . . 0.0 107.902 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.06 -36.0 11.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 177.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -78.87 -28.32 44.13 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 113.892 -1.504 . . . . 0.0 109.084 177.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -80.34 -18.36 49.31 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 174.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -92.85 -24.71 18.39 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 113.469 -1.696 . . . . 0.0 108.536 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -88.92 -16.43 31.86 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 114.207 -1.361 . . . . 0.0 108.244 177.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.89 -21.26 19.94 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 176.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.37 -36.67 22.32 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 112.926 -1.943 . . . . 0.0 106.547 176.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 7.1 tp -77.73 -28.46 50.82 Favored 'General case' 0 C--O 1.205 -1.246 0 CA-C-N 111.991 -2.368 . . . . 0.0 108.204 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.7 -20.07 34.13 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 177.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -87.99 -31.97 19.08 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 112.908 -1.951 . . . . 0.0 107.637 176.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -87.61 -16.76 33.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.376 -1.283 . . . . 0.0 109.944 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 64.1 tp -58.92 -59.79 4.89 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.015 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -92.63 -42.43 9.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.627 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.228 0 C-N-CA 124.424 1.09 . . . . 0.0 112.155 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.295 0 CA-C-O 120.92 0.391 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tt -95.75 -59.47 1.86 Allowed 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.928 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -32.31 67.79 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 113.718 -1.583 . . . . 0.0 112.436 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -93.43 -11.41 32.22 Favored 'General case' 0 N--CA 1.466 0.325 0 O-C-N 124.189 0.931 . . . . 0.0 110.395 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.64 -22.9 23.21 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 175.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tp -91.13 -31.17 16.33 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 111.635 -2.529 . . . . 0.0 107.179 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.44 -19.34 39.16 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 113.325 -1.761 . . . . 0.0 107.345 175.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.53 -28.85 18.24 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 175.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -81.63 -19.15 42.39 Favored 'General case' 0 CA--C 1.511 -0.529 0 O-C-N 125.511 1.757 . . . . 0.0 106.885 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.0 -33.7 26.48 Favored 'General case' 0 N--CA 1.424 -1.766 0 N-CA-C 105.144 -2.169 . . . . 0.0 105.144 175.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 13.4 t-105 -80.96 -19.42 44.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 111.615 -2.539 . . . . 0.0 109.07 176.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.59 -19.98 23.1 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 175.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tt -81.93 -41.34 21.0 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 111.287 -2.688 . . . . 0.0 106.21 175.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -72.37 -28.32 62.94 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 113.5 -1.682 . . . . 0.0 107.091 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.26 -19.4 36.44 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 112.183 -2.28 . . . . 0.0 107.652 175.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 8.1 tp -85.31 -35.86 21.19 Favored 'General case' 0 C--N 1.347 0.483 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 175.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.92 -29.09 55.51 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-N 113.513 -1.676 . . . . 0.0 106.733 176.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.64 -17.64 40.83 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 112.497 -2.138 . . . . 0.0 108.776 175.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -32.36 20.06 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 104.562 -2.384 . . . . 0.0 104.562 175.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.33 -41.56 63.34 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 112.605 -2.089 . . . . 0.0 106.868 174.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.55 -12.79 60.0 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 112.109 -2.314 . . . . 0.0 110.815 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -29.3 63.22 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 124.521 1.128 . . . . 0.0 109.794 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 mp -75.93 -48.13 22.46 Favored 'General case' 0 C--O 1.203 -1.347 0 CA-C-N 113.973 -1.467 . . . . 0.0 107.366 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.94 -21.47 65.98 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 112.687 -2.051 . . . . 0.0 107.644 174.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -79.17 -27.55 42.69 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 113.519 -1.673 . . . . 0.0 106.917 173.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.07 -38.21 11.74 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 113.945 -1.48 . . . . 0.0 108.981 175.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.235 0.312 0 CA-C-N 113.335 -1.757 . . . . 0.0 114.009 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 . . . . . 0 N--CA 1.468 0.43 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.57 -7.4 28.25 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.7 mt -96.22 -68.81 0.78 Allowed 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.503 0.721 . . . . 0.0 110.951 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -56.8 -15.6 4.99 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.407 -1.27 . . . . 0.0 112.024 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -95.51 -40.68 9.33 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 124.525 1.13 . . . . 0.0 109.568 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -75.02 -12.37 60.31 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.982 0.896 . . . . 0.0 109.645 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -93.04 -46.16 7.58 Favored 'General case' 0 CA--C 1.496 -1.125 0 CA-C-N 113.093 -1.867 . . . . 0.0 106.601 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.27 -19.94 63.76 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 113.262 -1.79 . . . . 0.0 110.023 176.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.23 -26.57 17.3 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 114.313 -1.312 . . . . 0.0 108.534 177.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -88.72 -11.85 43.97 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.289 -1.323 . . . . 0.0 109.624 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -94.61 -33.55 12.96 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 126.267 1.827 . . . . 0.0 106.089 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -77.05 -30.52 55.68 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 112.581 -2.099 . . . . 0.0 106.657 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -84.35 -13.62 51.83 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 113.877 -1.51 . . . . 0.0 109.792 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -85.06 -13.28 50.91 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.733 1.213 . . . . 0.0 110.707 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -94.66 -26.52 16.29 Favored 'General case' 0 CA--C 1.491 -1.291 0 C-N-CA 126.972 2.109 . . . . 0.0 105.707 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.38 -22.52 22.54 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 109.056 -3.702 . . . . 0.0 107.896 177.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.17 -33.34 19.42 Favored 'General case' 0 C--N 1.343 0.315 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 176.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -78.17 -30.62 49.2 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 112.673 -2.058 . . . . 0.0 107.877 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -77.51 -25.58 50.43 Favored 'General case' 0 C--N 1.345 0.378 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 174.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -85.53 -21.04 28.77 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 113.841 -1.527 . . . . 0.0 108.043 176.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -86.86 -13.86 43.72 Favored 'General case' 0 C--N 1.341 0.224 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 175.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.17 -24.32 18.27 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 112.742 -2.026 . . . . 0.0 106.602 176.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -85.22 -29.83 24.36 Favored 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 175.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 tp -80.77 -29.39 36.17 Favored 'General case' 0 C--O 1.208 -1.131 0 CA-C-N 111.787 -2.46 . . . . 0.0 107.921 175.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.1 -20.42 38.14 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 176.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -88.99 -32.42 17.64 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 112.847 -1.979 . . . . 0.0 107.975 176.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -87.15 -17.18 33.34 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.969 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.48 -60.03 4.12 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.187 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -86.77 -42.01 13.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.564 -1.198 . . . . 0.0 111.637 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.267 0 C-N-CA 124.368 1.067 . . . . 0.0 112.301 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.159 0 CA-C-O 121.815 0.817 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -95.05 -53.1 3.94 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 113.068 -1.878 . . . . 0.0 108.386 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -31.85 61.96 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 113.332 -1.758 . . . . 0.0 111.535 179.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -93.85 -12.22 29.44 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.589 1.18 . . . . 0.0 110.348 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -22.5 21.84 Favored 'General case' 0 C--N 1.339 0.127 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.79 -31.2 15.84 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 111.773 -2.467 . . . . 0.0 107.121 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.21 -20.31 38.01 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 113.337 -1.756 . . . . 0.0 107.523 175.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -29.04 18.72 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 176.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -81.14 -19.93 42.43 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 125.467 1.729 . . . . 0.0 106.849 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.75 -34.43 27.15 Favored 'General case' 0 N--CA 1.422 -1.863 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 175.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -79.37 -19.17 50.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 111.699 -2.5 . . . . 0.0 108.86 176.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.63 -19.11 24.03 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 174.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.93 -31.95 23.36 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 111.221 -2.718 . . . . 0.0 107.01 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -82.59 -26.78 31.99 Favored 'General case' 0 CA--C 1.489 -1.367 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.53 -16.96 40.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 111.803 -2.453 . . . . 0.0 106.801 174.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.57 -27.41 20.26 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 174.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.43 -29.63 27.92 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 175.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.27 -19.61 36.0 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 112.241 -2.254 . . . . 0.0 109.263 175.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -30.4 20.61 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 104.044 -2.576 . . . . 0.0 104.044 175.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -46.89 51.1 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-N 112.49 -2.141 . . . . 0.0 106.191 174.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.62 -12.85 61.36 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 112.552 -2.113 . . . . 0.0 110.5 177.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.47 -25.17 29.1 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 124.711 1.204 . . . . 0.0 109.417 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 tt -86.05 -45.69 11.18 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 126.185 1.794 . . . . 0.0 107.314 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.0 -21.01 64.17 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 125.277 1.61 . . . . 0.0 107.055 174.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -75.77 -27.22 57.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 113.182 -1.826 . . . . 0.0 106.753 173.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.73 -38.46 10.78 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 113.525 -1.671 . . . . 0.0 109.093 175.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 113.624 -1.626 . . . . 0.0 113.848 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 . . . . . 0 N--CA 1.469 0.478 0 CA-C-O 120.538 0.209 . . . . 0.0 111.482 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.94 -7.06 34.14 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.887 0.475 . . . . 0.0 111.918 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -95.83 -68.22 0.81 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.073 0.949 . . . . 0.0 111.206 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -59.84 -13.76 12.05 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 114.581 -1.191 . . . . 0.0 112.208 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -94.77 -37.95 11.01 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.379 1.072 . . . . 0.0 108.674 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -76.61 -12.1 59.96 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 122.096 0.95 . . . . 0.0 109.109 175.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 tt -93.16 -44.64 8.26 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 126.859 2.064 . . . . 0.0 106.71 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.1 -19.28 65.61 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 113.405 -1.725 . . . . 0.0 109.993 176.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.19 -25.89 18.46 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.456 -1.247 . . . . 0.0 108.37 177.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -85.53 -14.79 44.82 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.608 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -94.99 -29.28 14.71 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 126.177 1.791 . . . . 0.0 106.314 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -32.57 30.0 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 112.464 -2.153 . . . . 0.0 106.965 175.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -82.24 -14.24 55.81 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 114.229 -1.35 . . . . 0.0 109.647 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 3.0 tt -83.89 -38.55 20.98 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 125.04 1.336 . . . . 0.0 109.359 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -16.85 56.36 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 112.445 -2.161 . . . . 0.0 107.439 176.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.14 -22.86 18.2 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 112.756 -2.02 . . . . 0.0 107.409 177.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.78 -39.64 16.9 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 175.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -71.74 -29.72 64.82 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 112.939 -1.937 . . . . 0.0 108.875 176.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -82.19 -16.94 47.96 Favored 'General case' 0 C--N 1.345 0.405 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 174.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.4 -22.95 19.36 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 113.677 -1.601 . . . . 0.0 107.44 176.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -90.08 -15.16 32.26 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 113.781 -1.554 . . . . 0.0 107.616 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.89 -21.97 19.53 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 176.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -36.14 23.46 Favored 'General case' 0 N--CA 1.427 -1.595 0 CA-C-N 112.672 -2.058 . . . . 0.0 106.257 176.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 11.8 tp -77.36 -28.17 52.87 Favored 'General case' 0 C--O 1.205 -1.261 0 CA-C-N 111.91 -2.405 . . . . 0.0 108.037 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.61 -20.55 36.19 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 176.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -89.27 -32.54 17.33 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 112.794 -2.003 . . . . 0.0 108.027 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -86.7 -18.38 31.37 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.961 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mt -56.59 -60.0 4.17 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.577 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -82.54 -41.24 19.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.515 -1.22 . . . . 0.0 112.091 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.087 -0.959 . . . . 0.0 111.327 -179.866 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 120.985 0.422 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 tt -95.78 -62.32 1.31 Allowed 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 114.253 -1.339 . . . . 0.0 109.969 -179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -31.5 68.58 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 113.693 -1.594 . . . . 0.0 112.494 -179.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -91.76 -12.0 35.11 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 124.09 0.869 . . . . 0.0 110.375 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.16 -21.11 23.48 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 105.906 -1.886 . . . . 0.0 105.906 175.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -90.2 -36.4 14.8 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 111.267 -2.697 . . . . 0.0 106.686 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.89 -19.23 52.41 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 113.215 -1.811 . . . . 0.0 107.899 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.72 -29.58 18.64 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 175.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -81.56 -18.45 44.87 Favored 'General case' 0 CA--C 1.512 -0.491 0 O-C-N 125.53 1.769 . . . . 0.0 107.208 176.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.76 -31.5 23.94 Favored 'General case' 0 N--CA 1.428 -1.549 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 175.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 -80.68 -22.71 40.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 110.84 -2.891 . . . . 0.0 108.681 176.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -93.16 -17.33 23.87 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 175.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.88 -24.85 26.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 111.646 -2.524 . . . . 0.0 106.379 175.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.78 -34.78 19.48 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 112.537 -2.12 . . . . 0.0 107.036 177.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.55 -17.49 44.75 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 112.048 -2.342 . . . . 0.0 108.077 175.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 tt -86.16 -35.56 20.06 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 175.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -38.92 72.72 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 111.867 -2.424 . . . . 0.0 107.867 175.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -79.25 -16.18 56.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 112.409 -2.178 . . . . 0.0 109.133 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.49 -32.55 19.39 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 104.419 -2.437 . . . . 0.0 104.419 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.06 -42.1 60.73 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 112.589 -2.096 . . . . 0.0 107.015 174.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.81 -12.69 60.22 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 112.159 -2.291 . . . . 0.0 110.648 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.27 -27.6 59.46 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.605 1.162 . . . . 0.0 109.819 178.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.1 -38.39 44.2 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 113.831 -1.531 . . . . 0.0 108.155 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.12 -20.16 49.32 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 111.587 -2.551 . . . . 0.0 106.927 175.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -79.56 -25.57 41.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 113.285 -1.78 . . . . 0.0 106.436 173.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.81 -37.81 12.11 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 113.653 -1.612 . . . . 0.0 108.814 175.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 113.542 -1.663 . . . . 0.0 113.917 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 . . . . . 0 N--CA 1.469 0.489 0 CA-C-O 120.721 0.296 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.38 -21.1 13.18 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 tt -97.52 -70.24 0.73 Allowed 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.141 0.577 . . . . 0.0 112.097 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -65.65 -14.8 61.93 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 114.679 -1.146 . . . . 0.0 112.104 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -95.65 -37.62 10.74 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.191 0.996 . . . . 0.0 110.232 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -75.25 -12.57 60.31 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 122.127 0.965 . . . . 0.0 109.408 176.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -93.56 -43.56 8.64 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 112.885 -1.961 . . . . 0.0 106.761 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.57 -15.64 63.26 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 113.224 -1.807 . . . . 0.0 110.295 176.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.2 -25.2 16.48 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 177.29 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 tt -77.4 -43.35 32.97 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 113.686 -1.597 . . . . 0.0 108.72 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -70.92 -31.96 68.74 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 112.635 -2.075 . . . . 0.0 108.297 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -74.96 -33.0 61.85 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -82.29 -15.17 53.93 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 113.45 -1.705 . . . . 0.0 110.111 176.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.47 -17.11 27.71 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 124.704 1.201 . . . . 0.0 109.472 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.52 -20.61 18.25 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 105.99 -1.856 . . . . 0.0 105.99 178.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.95 -26.87 15.94 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 112.234 -2.257 . . . . 0.0 108.472 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.15 -40.95 14.14 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 176.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -68.41 -28.91 67.5 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.099 -1.409 . . . . 0.0 108.74 174.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -81.52 -18.62 44.41 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -90.85 -24.18 20.34 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 113.713 -1.585 . . . . 0.0 107.777 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -87.99 -15.77 35.55 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 113.766 -1.561 . . . . 0.0 107.647 176.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.99 -21.97 19.45 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.46 -35.79 22.76 Favored 'General case' 0 N--CA 1.427 -1.605 0 CA-C-N 112.803 -1.998 . . . . 0.0 106.411 176.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 tp -76.49 -29.49 56.86 Favored 'General case' 0 C--O 1.206 -1.228 0 CA-C-N 111.878 -2.419 . . . . 0.0 108.002 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.25 -19.77 35.78 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 176.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -87.83 -31.23 19.66 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 112.778 -2.01 . . . . 0.0 107.468 176.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -87.28 -18.33 30.45 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.122 -1.399 . . . . 0.0 109.849 176.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 9.6 tt -63.63 -60.13 3.72 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.994 178.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -86.91 -43.21 12.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.874 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.216 0 C-N-CA 124.438 1.095 . . . . 0.0 112.266 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.301 0 CA-C-O 121.126 0.488 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -92.08 -35.61 13.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.213 -1.358 . . . . 0.0 107.481 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.39 -23.58 40.33 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 113.129 -1.851 . . . . 0.0 107.914 176.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -85.14 -27.49 26.17 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 113.271 -1.786 . . . . 0.0 109.863 177.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -22.5 38.02 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -88.55 -27.0 21.69 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 111.772 -2.467 . . . . 0.0 106.309 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.35 -21.85 30.76 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 125.271 1.607 . . . . 0.0 107.715 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -82.4 -36.09 27.05 Favored 'General case' 0 CA--C 1.487 -1.456 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 174.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -75.91 -21.91 56.62 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 111.119 -2.764 . . . . 0.0 108.372 176.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -83.23 -29.7 28.27 Favored 'General case' 0 CA--C 1.489 -1.391 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 174.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -80.7 -21.33 41.35 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 111.374 -2.648 . . . . 0.0 108.789 176.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.76 -18.05 25.62 Favored 'General case' 0 CA--C 1.494 -1.177 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 174.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -84.03 -34.01 24.36 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 111.279 -2.691 . . . . 0.0 106.595 175.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -82.44 -28.2 31.47 Favored 'General case' 0 CA--C 1.49 -1.334 0 CA-C-N 113.392 -1.731 . . . . 0.0 106.786 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.95 -17.93 38.97 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 112.099 -2.319 . . . . 0.0 107.38 175.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 44.2 tp -84.78 -37.77 20.4 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 113.75 -1.568 . . . . 0.0 107.472 175.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.3 -26.31 42.29 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 112.625 -2.08 . . . . 0.0 107.413 175.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.08 -15.53 53.15 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 113.241 -1.8 . . . . 0.0 107.62 175.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.7 -30.19 12.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 113.097 -1.865 . . . . 0.0 107.571 175.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.31 -46.53 7.99 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 113.7 -1.591 . . . . 0.0 112.553 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.06 -12.61 32.64 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -176.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -94.16 -42.68 8.85 Favored 'General case' 0 C--O 1.207 -1.158 0 CA-C-O 121.447 0.641 . . . . 0.0 109.67 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -26.71 67.41 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 112.556 -2.111 . . . . 0.0 110.017 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.92 -33.63 39.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 112.225 -2.261 . . . . 0.0 106.972 176.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -79.59 -32.35 41.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 111.733 -2.485 . . . . 0.0 108.871 176.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.58 -30.85 57.19 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 175.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 N--CA 1.452 -0.332 0 CA-C-N 112.272 -2.24 . . . . 0.0 108.721 175.888 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 . . . . . 0 N--CA 1.469 0.504 0 CA-C-O 120.707 0.289 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.47 -5.93 58.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.799 0.84 . . . . 0.0 111.759 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.4 tt -93.53 -60.05 1.86 Allowed 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.921 1.289 . . . . 0.0 109.453 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.59 -13.41 31.03 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.042 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -95.06 -37.47 11.09 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 124.877 1.271 . . . . 0.0 108.602 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -75.43 -12.58 60.28 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 122.074 0.94 . . . . 0.0 109.279 176.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 tt -93.28 -45.93 7.61 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 126.743 2.017 . . . . 0.0 106.491 178.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.61 -16.32 64.11 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 113.553 -1.658 . . . . 0.0 110.054 176.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.5 -27.27 16.07 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 114.453 -1.248 . . . . 0.0 108.389 177.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -85.16 -13.07 51.26 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 124.646 1.216 . . . . 0.0 109.585 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -95.11 -31.55 13.5 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 113.065 -1.88 . . . . 0.0 106.874 178.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.77 -29.46 25.43 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 112.587 -2.097 . . . . 0.0 107.659 176.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -85.66 -16.36 39.38 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.743 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -20.23 63.31 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 122.673 1.225 . . . . 0.0 110.823 178.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.05 -19.5 20.8 Favored 'General case' 0 C--N 1.284 -2.266 0 CA-C-N 112.207 -2.269 . . . . 0.0 106.395 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.26 -27.87 13.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 112.761 -2.018 . . . . 0.0 110.788 177.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.12 -40.29 9.69 Favored 'General case' 0 N--CA 1.445 -0.706 0 O-C-N 124.283 0.989 . . . . 0.0 108.933 -179.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -80.05 -21.89 42.95 Favored 'General case' 0 CA--C 1.51 -0.582 0 O-C-N 124.544 1.152 . . . . 0.0 109.215 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -83.35 -17.83 41.01 Favored 'General case' 0 C--N 1.349 0.546 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 173.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -92.22 -24.14 19.13 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-N 113.461 -1.699 . . . . 0.0 108.217 176.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -89.63 -16.24 30.97 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.125 -1.398 . . . . 0.0 107.98 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.97 -21.42 19.79 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 106.02 -1.844 . . . . 0.0 106.02 176.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.73 -36.24 23.81 Favored 'General case' 0 N--CA 1.426 -1.63 0 CA-C-N 112.937 -1.938 . . . . 0.0 106.501 175.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 12.4 tp -76.36 -29.99 57.41 Favored 'General case' 0 C--O 1.205 -1.273 0 CA-C-N 111.812 -2.449 . . . . 0.0 108.017 176.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.31 -19.91 35.36 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 177.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -87.91 -31.4 19.47 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 113.045 -1.889 . . . . 0.0 107.51 176.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -87.5 -16.45 34.69 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.348 -1.296 . . . . 0.0 110.011 176.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.1 -60.46 2.79 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.208 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -87.5 -43.48 12.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.691 -1.141 . . . . 0.0 111.893 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.209 0 C-N-CA 124.351 1.061 . . . . 0.0 112.292 -179.794 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.277 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -96.2 -52.71 3.9 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.583 -178.562 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -31.41 71.99 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 113.949 -1.478 . . . . 0.0 112.203 -178.872 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -91.67 -11.65 36.37 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 124.185 0.928 . . . . 0.0 110.269 178.438 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -22.14 23.53 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 175.015 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 tt -87.87 -40.73 13.75 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 111.228 -2.714 . . . . 0.0 106.319 177.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.47 -17.13 59.47 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 125.412 1.695 . . . . 0.0 107.978 176.347 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -28.78 23.34 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 174.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -83.59 -19.06 36.22 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 112.987 -1.915 . . . . 0.0 107.753 177.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -89.45 -21.66 22.89 Favored 'General case' 0 CA--C 1.493 -1.219 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 175.227 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -88.37 -24.08 23.2 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 110.982 -2.826 . . . . 0.0 108.948 176.383 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -92.04 -18.98 22.85 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 176.066 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tt -81.38 -36.48 29.54 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-N 111.723 -2.489 . . . . 0.0 106.087 175.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.89 -35.82 62.27 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 112.174 -2.285 . . . . 0.0 107.982 176.069 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.55 -17.41 48.5 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 112.319 -2.219 . . . . 0.0 108.368 176.101 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 tt -84.44 -35.77 22.81 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 105.238 -2.134 . . . . 0.0 105.238 174.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.71 -38.96 67.33 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 112.118 -2.31 . . . . 0.0 108.267 176.16 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -78.99 -16.06 57.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 112.761 -2.018 . . . . 0.0 108.935 176.308 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -31.36 18.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 104.429 -2.434 . . . . 0.0 104.429 174.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 tt -75.63 -41.46 54.15 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 112.373 -2.194 . . . . 0.0 106.608 175.111 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.05 -12.23 59.91 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 113.25 -1.796 . . . . 0.0 110.529 177.186 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.61 -29.16 59.12 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 124.714 1.206 . . . . 0.0 109.668 178.489 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 tt -77.58 -45.82 24.09 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-N 113.855 -1.521 . . . . 0.0 107.1 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.3 -20.41 63.02 Favored 'General case' 0 C--O 1.219 -0.536 0 O-C-N 125.682 1.864 . . . . 0.0 107.283 175.072 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -79.35 -25.83 42.19 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 113.391 -1.732 . . . . 0.0 106.788 173.327 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.96 -35.77 11.86 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 113.799 -1.546 . . . . 0.0 108.994 175.637 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 113.651 -1.613 . . . . 0.0 113.387 -179.36 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 . . . . . 0 N--CA 1.472 0.675 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.39 -6.29 22.07 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.393 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 tt -94.85 -67.87 0.83 Allowed 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.233 1.013 . . . . 0.0 110.223 -178.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -59.24 -12.98 6.22 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.538 178.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -95.76 -40.56 9.29 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.743 1.217 . . . . 0.0 109.425 179.045 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -74.77 -12.5 60.42 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 121.849 0.833 . . . . 0.0 109.702 177.217 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.03 -44.03 8.61 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 113.192 -1.822 . . . . 0.0 107.036 178.292 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.82 -17.02 64.38 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 113.013 -1.903 . . . . 0.0 109.889 176.294 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.08 -26.26 16.11 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 114.451 -1.25 . . . . 0.0 107.901 177.331 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 42.5 tp -74.69 -39.82 61.74 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 114.099 -1.41 . . . . 0.0 110.491 178.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -75.09 -31.47 61.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 112.717 -2.038 . . . . 0.0 107.916 177.684 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -30.88 57.26 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 113.271 -1.786 . . . . 0.0 106.197 175.153 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -84.71 -14.43 48.42 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 113.542 -1.663 . . . . 0.0 109.951 175.642 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -89.42 -17.27 29.08 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.119 0.967 . . . . 0.0 109.993 178.653 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -21.0 18.39 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 178.733 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.8 -20.86 19.12 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 111.79 -2.459 . . . . 0.0 107.108 177.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.0 -36.32 19.84 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 175.909 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -76.45 -31.7 57.99 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 112.973 -1.921 . . . . 0.0 107.862 176.565 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -78.26 -25.61 46.88 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 174.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.73 -19.25 31.1 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 124.983 1.427 . . . . 0.0 107.955 176.657 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -86.43 -14.88 41.97 Favored 'General case' 0 C--N 1.343 0.318 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 174.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.33 -25.05 17.9 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 112.509 -2.132 . . . . 0.0 106.838 176.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -86.28 -28.84 23.51 Favored 'General case' 0 CA--C 1.497 -1.078 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 175.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.0 tp -79.34 -32.03 43.19 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-N 111.967 -2.379 . . . . 0.0 107.765 176.012 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.95 -20.29 38.92 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 177.025 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -86.56 -31.28 21.31 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 112.978 -1.919 . . . . 0.0 107.355 176.017 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -86.52 -17.51 33.93 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.254 -1.339 . . . . 0.0 109.903 176.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 8.4 tt -70.03 -60.11 2.49 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.568 178.439 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -79.13 -53.45 6.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.015 179.377 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.186 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.375 179.843 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 120.942 0.401 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tt -95.68 -60.26 1.69 Allowed 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 125.047 1.339 . . . . 0.0 109.571 -179.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -32.5 65.31 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 113.515 -1.675 . . . . 0.0 112.527 -179.253 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -94.38 -11.31 30.17 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.247 0.967 . . . . 0.0 110.486 179.248 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.21 -22.71 22.63 Favored 'General case' 0 N--CA 1.461 0.116 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 175.634 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tp -91.29 -31.53 16.07 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 111.82 -2.445 . . . . 0.0 107.287 177.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.52 -19.96 37.66 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 113.39 -1.732 . . . . 0.0 107.505 176.099 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.37 -28.78 18.46 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 176.018 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -81.15 -19.75 42.79 Favored 'General case' 0 CA--C 1.51 -0.587 0 O-C-N 125.415 1.697 . . . . 0.0 106.831 176.534 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.83 -34.92 26.77 Favored 'General case' 0 N--CA 1.421 -1.901 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 175.419 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -79.92 -18.38 50.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 111.595 -2.548 . . . . 0.0 108.903 176.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -91.92 -17.85 24.6 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 105.545 -2.02 . . . . 0.0 105.545 174.668 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -84.91 -33.18 22.79 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 111.084 -2.78 . . . . 0.0 106.547 175.36 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -83.87 -27.47 28.64 Favored 'General case' 0 CA--C 1.492 -1.259 0 CA-C-N 113.585 -1.643 . . . . 0.0 106.823 177.102 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.83 -16.45 41.31 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 112.207 -2.269 . . . . 0.0 107.482 175.519 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 tt -85.9 -37.83 18.69 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 175.014 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.95 -31.52 59.1 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 113.105 -1.862 . . . . 0.0 107.548 176.085 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.18 -18.35 43.01 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 112.849 -1.978 . . . . 0.0 108.837 176.111 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.13 -31.65 20.3 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 104.408 -2.442 . . . . 0.0 104.408 175.391 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 tt -73.34 -42.85 61.77 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 112.567 -2.106 . . . . 0.0 106.115 174.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.01 -14.45 61.43 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 113.538 -1.665 . . . . 0.0 110.474 177.147 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.41 -26.83 41.83 Favored 'General case' 0 C--O 1.213 -0.836 0 C-N-CA 124.615 1.166 . . . . 0.0 109.909 178.715 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.45 -24.69 36.66 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 125.644 1.578 . . . . 0.0 109.706 179.798 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.15 -24.54 22.17 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 111.098 -2.774 . . . . 0.0 106.226 177.138 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -83.07 -35.14 25.94 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 112.34 -2.209 . . . . 0.0 107.922 175.089 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.42 -34.42 63.25 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 175.654 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-N 112.53 -2.123 . . . . 0.0 110.243 176.855 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.78 -6.53 22.49 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.644 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.3 tt -94.34 -66.1 0.94 Allowed 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.67 1.188 . . . . 0.0 109.743 -178.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -57.81 -14.75 6.48 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 114.799 -1.092 . . . . 0.0 111.3 178.559 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -95.44 -38.04 10.64 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 124.986 1.314 . . . . 0.0 109.395 178.786 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -75.4 -12.75 60.32 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 122.126 0.965 . . . . 0.0 109.61 176.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -93.29 -44.05 8.5 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 112.895 -1.957 . . . . 0.0 106.74 178.277 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.37 -15.46 63.32 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 113.065 -1.879 . . . . 0.0 110.15 176.402 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.03 -25.83 16.32 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 177.316 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 34.6 tp -77.37 -37.22 52.65 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 113.707 -1.588 . . . . 0.0 109.97 178.307 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -76.74 -30.77 56.73 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 112.375 -2.193 . . . . 0.0 108.16 177.708 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -79.54 -30.65 41.83 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 113.311 -1.768 . . . . 0.0 106.671 175.401 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -84.71 -14.91 46.97 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 113.748 -1.569 . . . . 0.0 109.898 175.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 tt -84.2 -37.86 21.31 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 124.532 1.133 . . . . 0.0 109.259 178.468 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.35 -18.95 58.64 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 112.741 -2.027 . . . . 0.0 107.427 176.495 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.51 -19.89 20.13 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 112.591 -2.095 . . . . 0.0 106.868 177.301 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.03 -39.91 17.47 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 176.212 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -75.78 -29.18 58.69 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 113.024 -1.898 . . . . 0.0 108.511 177.174 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -82.4 -16.58 48.55 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 174.179 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.48 -23.01 19.26 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 113.626 -1.624 . . . . 0.0 107.515 176.166 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -90.01 -15.64 31.45 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 113.791 -1.55 . . . . 0.0 107.723 176.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.92 -21.98 19.5 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 176.272 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -36.36 22.82 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 112.655 -2.066 . . . . 0.0 106.277 176.255 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 12.0 tp -76.9 -28.17 55.24 Favored 'General case' 0 C--O 1.202 -1.402 0 CA-C-N 111.973 -2.376 . . . . 0.0 108.084 176.074 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.72 -20.47 35.97 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 176.746 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -89.24 -32.74 17.26 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 112.9 -1.955 . . . . 0.0 108.098 176.555 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -88.03 -16.16 34.39 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.251 177.085 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mt -57.14 -59.97 4.31 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.437 178.582 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -82.3 -41.54 19.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.007 179.442 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.313 -179.917 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.276 0 CA-C-O 121.072 0.463 . . . . 0.0 112.21 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -96.06 -50.96 4.63 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.268 -1.333 . . . . 0.0 110.03 -178.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -31.45 72.67 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 113.719 -1.582 . . . . 0.0 111.952 -179.146 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -93.63 -10.9 33.01 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.407 1.067 . . . . 0.0 110.211 178.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.86 -23.3 22.82 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 175.728 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tp -91.12 -31.4 16.24 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 111.73 -2.486 . . . . 0.0 107.055 177.771 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.54 -19.19 39.11 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 113.439 -1.71 . . . . 0.0 107.382 175.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.33 -29.57 19.05 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 175.898 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -81.28 -19.21 43.48 Favored 'General case' 0 CA--C 1.512 -0.489 0 O-C-N 125.427 1.704 . . . . 0.0 107.056 176.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.88 -32.2 23.31 Favored 'General case' 0 N--CA 1.427 -1.603 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 175.561 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -79.6 -22.72 43.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 111.081 -2.781 . . . . 0.0 108.644 176.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -91.86 -18.36 23.91 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 175.551 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.32 -24.66 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 111.72 -2.491 . . . . 0.0 106.795 175.561 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.17 -33.44 20.82 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-N 112.59 -2.095 . . . . 0.0 106.385 176.862 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.96 -16.95 45.3 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 111.66 -2.518 . . . . 0.0 107.918 175.25 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -88.59 -25.63 22.37 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 174.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.17 -37.74 25.69 Favored 'General case' 0 N--CA 1.427 -1.575 0 CA-C-N 112.548 -2.115 . . . . 0.0 107.204 176.554 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -79.17 -16.56 56.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 112.356 -2.202 . . . . 0.0 109.109 176.236 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -30.27 19.2 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 104.393 -2.447 . . . . 0.0 104.393 175.016 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 tt -76.72 -40.74 47.65 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 112.452 -2.158 . . . . 0.0 106.491 174.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.7 -12.23 59.95 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 113.219 -1.81 . . . . 0.0 110.342 177.424 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.02 -31.71 66.45 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 124.683 1.193 . . . . 0.0 109.516 178.312 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 tt -72.95 -51.7 17.41 Favored 'General case' 0 C--O 1.213 -0.834 0 C-N-CA 126.065 1.746 . . . . 0.0 107.462 179.488 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.45 -21.05 66.19 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 112.164 -2.289 . . . . 0.0 107.792 174.411 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -82.11 -26.25 33.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 113.619 -1.628 . . . . 0.0 107.411 173.736 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.26 -40.59 12.06 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 114.077 -1.42 . . . . 0.0 108.823 175.725 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 CA--C 1.514 -0.433 0 CA-C-N 113.784 -1.553 . . . . 0.0 114.267 -178.822 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.01 -7.56 16.12 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -179.386 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.7 tt -96.81 -69.64 0.75 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 123.873 0.869 . . . . 0.0 110.689 -179.557 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.8 -13.73 26.53 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 114.518 -1.219 . . . . 0.0 112.253 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -95.85 -40.3 9.39 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 124.391 1.077 . . . . 0.0 109.681 179.124 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -76.58 -12.47 60.02 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.834 0.826 . . . . 0.0 109.976 177.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.42 -43.08 8.93 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 113.433 -1.712 . . . . 0.0 106.604 178.009 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.1 -19.27 65.79 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 113.03 -1.896 . . . . 0.0 109.808 175.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.73 -24.85 17.68 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 114.273 -1.331 . . . . 0.0 108.24 177.699 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -85.76 -11.0 54.66 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.368 178.244 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -95.62 -31.84 13.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 112.776 -2.011 . . . . 0.0 106.539 178.738 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -29.68 23.68 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 112.518 -2.128 . . . . 0.0 107.492 176.38 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -81.68 -14.15 56.96 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.256 176.002 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 tp -82.49 -30.35 29.94 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 124.87 1.268 . . . . 0.0 110.298 178.118 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -18.72 35.46 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 127.103 2.161 . . . . 0.0 106.629 177.352 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.84 -18.71 20.94 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 112.265 -2.243 . . . . 0.0 106.422 176.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.04 -40.34 13.92 Favored 'General case' 0 C--N 1.346 0.414 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 175.882 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -75.09 -27.54 59.93 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 113.299 -1.773 . . . . 0.0 108.618 177.049 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -82.77 -17.29 44.71 Favored 'General case' 0 C--N 1.346 0.416 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 174.211 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.3 -22.93 19.46 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 113.37 -1.741 . . . . 0.0 107.526 176.255 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -90.83 -14.55 31.63 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 113.766 -1.561 . . . . 0.0 107.574 176.566 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.07 -21.84 19.48 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 105.839 -1.912 . . . . 0.0 105.839 175.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -36.03 23.05 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 112.619 -2.082 . . . . 0.0 106.42 176.186 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 tp -78.0 -27.75 49.08 Favored 'General case' 0 C--O 1.205 -1.255 0 CA-C-N 111.87 -2.423 . . . . 0.0 108.035 176.166 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.74 -20.57 35.71 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 176.701 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -89.31 -32.39 17.37 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 112.723 -2.035 . . . . 0.0 107.963 176.59 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -86.38 -18.78 30.92 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.891 177.061 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 mt -56.33 -59.83 4.39 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.4 178.591 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -81.71 -41.4 21.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.457 -1.247 . . . . 0.0 112.012 179.468 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.033 -0.984 . . . . 0.0 111.243 -179.949 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.28 0 CA-C-O 121.863 0.84 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -94.21 -38.77 10.88 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 113.167 -1.833 . . . . 0.0 109.093 -178.512 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -27.2 65.69 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 113.855 -1.52 . . . . 0.0 109.752 178.724 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -91.26 -15.43 29.2 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 113.83 -1.532 . . . . 0.0 109.634 177.348 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.14 -20.16 24.61 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 176.367 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tt -90.06 -36.32 14.97 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 111.586 -2.552 . . . . 0.0 106.314 177.577 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.37 -19.66 52.9 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 112.954 -1.93 . . . . 0.0 107.818 176.082 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.41 -29.19 19.23 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 175.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -81.29 -19.29 43.28 Favored 'General case' 0 CA--C 1.512 -0.488 0 O-C-N 125.511 1.757 . . . . 0.0 106.991 176.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.23 -31.96 22.88 Favored 'General case' 0 N--CA 1.427 -1.576 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 175.724 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -79.69 -23.21 42.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 111.043 -2.799 . . . . 0.0 108.677 176.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -92.21 -18.22 23.76 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 175.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.35 -24.17 25.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 111.644 -2.525 . . . . 0.0 106.792 175.471 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.21 -33.79 20.66 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 112.639 -2.073 . . . . 0.0 106.51 176.858 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.9 -17.38 43.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 111.687 -2.506 . . . . 0.0 107.746 175.392 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -88.28 -26.33 22.35 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 175.008 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.35 -38.0 27.38 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-N 112.638 -2.074 . . . . 0.0 107.391 176.656 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.47 -17.29 56.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 112.487 -2.142 . . . . 0.0 109.141 176.476 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.19 -29.97 18.9 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 104.587 -2.375 . . . . 0.0 104.587 175.245 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 tt -77.05 -40.94 44.45 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 112.539 -2.119 . . . . 0.0 106.644 174.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.54 -12.66 60.06 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 113.175 -1.83 . . . . 0.0 110.37 177.296 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.47 -26.64 61.89 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 124.834 1.254 . . . . 0.0 109.987 178.45 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 4.3 mp -80.64 -46.22 15.98 Favored 'General case' 0 CA--C 1.493 -1.219 0 CA-C-N 113.857 -1.52 . . . . 0.0 107.25 179.495 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.32 -21.94 64.73 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 112.601 -2.09 . . . . 0.0 107.293 174.482 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -76.6 -26.38 54.93 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 113.514 -1.676 . . . . 0.0 106.691 173.099 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.05 -38.7 10.52 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 113.706 -1.588 . . . . 0.0 109.105 175.782 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.235 0.324 0 CA-C-N 113.563 -1.653 . . . . 0.0 114.107 -178.591 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.95 -6.37 6.01 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.1 -65.71 0.97 Allowed 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 124.28 1.032 . . . . 0.0 108.836 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -55.85 -14.93 2.69 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 113.722 -1.581 . . . . 0.0 111.268 177.605 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -95.64 -39.55 9.85 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.0 1.32 . . . . 0.0 108.899 178.559 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -75.05 -12.97 60.44 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.44 177.095 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.05 -43.76 8.74 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 113.104 -1.862 . . . . 0.0 106.98 178.103 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.17 -18.67 65.49 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 113.121 -1.854 . . . . 0.0 109.649 175.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.07 -25.78 16.32 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 114.146 -1.388 . . . . 0.0 108.1 177.51 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -85.74 -10.69 55.18 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 114.204 -1.362 . . . . 0.0 109.344 178.651 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -94.44 -29.38 14.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 113.1 -1.864 . . . . 0.0 106.269 178.734 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -84.85 -28.81 25.79 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 112.516 -2.129 . . . . 0.0 106.589 175.255 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -86.36 -13.68 45.72 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 114.106 -1.407 . . . . 0.0 109.65 175.817 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 35.6 tp -81.02 -35.39 31.96 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.929 1.291 . . . . 0.0 111.089 179.09 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -18.6 42.53 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 111.579 -2.555 . . . . 0.0 106.894 177.414 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.73 -18.65 21.08 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 112.386 -2.188 . . . . 0.0 106.328 177.074 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.12 -38.97 14.94 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 112.663 -2.062 . . . . 0.0 105.519 175.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -75.58 -28.46 58.96 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 112.729 -2.032 . . . . 0.0 108.726 177.197 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -82.75 -16.53 47.6 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 174.06 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -92.21 -23.68 19.28 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 113.552 -1.658 . . . . 0.0 107.704 176.086 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -89.53 -15.71 32.34 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 113.741 -1.572 . . . . 0.0 107.619 176.607 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.99 -21.94 19.47 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 176.274 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.9 -36.38 23.38 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 112.762 -2.017 . . . . 0.0 106.396 176.133 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 7.9 tp -76.64 -28.79 56.19 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 111.924 -2.398 . . . . 0.0 108.094 176.185 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.81 -20.44 35.73 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 176.828 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -89.16 -33.2 17.13 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 112.875 -1.966 . . . . 0.0 107.892 176.611 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -85.25 -17.07 38.1 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.695 176.849 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.93 -59.54 4.9 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.164 178.056 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -82.2 -41.48 20.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.48 -1.236 . . . . 0.0 112.024 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.386 -179.871 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.282 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -96.45 -54.09 3.38 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.449 -1.25 . . . . 0.0 110.281 -178.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -32.25 73.71 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 113.672 -1.604 . . . . 0.0 112.558 -178.858 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -92.64 -11.21 34.78 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 124.278 0.986 . . . . 0.0 110.126 178.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.57 -22.06 22.56 Favored 'General case' 0 C--O 1.226 -0.139 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 175.506 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.15 -28.98 16.74 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 111.893 -2.412 . . . . 0.0 106.912 177.743 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.61 -20.2 31.78 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 113.368 -1.742 . . . . 0.0 107.412 176.414 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -29.91 17.96 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 106.144 -1.798 . . . . 0.0 106.144 175.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -81.18 -19.89 42.38 Favored 'General case' 0 CA--C 1.509 -0.621 0 O-C-N 125.459 1.724 . . . . 0.0 106.914 176.733 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.35 -34.81 28.32 Favored 'General case' 0 N--CA 1.421 -1.895 0 N-CA-C 105.44 -2.059 . . . . 0.0 105.44 175.332 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -78.35 -19.86 52.55 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 111.505 -2.589 . . . . 0.0 108.612 176.79 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -91.29 -17.75 25.45 Favored 'General case' 0 CA--C 1.495 -1.162 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 174.668 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -88.41 -23.93 23.19 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 111.373 -2.648 . . . . 0.0 107.268 175.392 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -89.48 -27.5 20.29 Favored 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 176.378 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.56 -18.07 32.43 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 111.522 -2.581 . . . . 0.0 107.683 175.221 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.17 -24.35 22.2 Favored 'General case' 0 C--N 1.348 0.516 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 175.046 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.22 -37.42 23.61 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 112.735 -2.029 . . . . 0.0 107.311 176.407 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.85 -20.96 52.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 112.344 -2.207 . . . . 0.0 109.001 176.324 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -30.18 21.4 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 175.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tt -72.83 -40.01 66.11 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 173.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.75 -19.52 62.02 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 113.258 -1.792 . . . . 0.0 110.601 177.681 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -70.07 -46.16 65.52 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-O 122.51 1.148 . . . . 0.0 108.12 177.053 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mp -56.42 -52.0 66.27 Favored 'General case' 0 C--O 1.204 -1.336 0 CA-C-N 111.405 -2.634 . . . . 0.0 109.023 177.689 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.48 -23.61 66.29 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 125.63 1.831 . . . . 0.0 108.442 175.931 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -79.95 -25.77 40.3 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.664 -1.607 . . . . 0.0 107.347 174.101 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.0 -32.19 13.27 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 114.288 -1.324 . . . . 0.0 108.833 175.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.235 0.302 0 CA-C-N 113.736 -1.575 . . . . 0.0 112.788 -179.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 120.88 0.371 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.46 -32.55 8.05 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.344 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 11.0 mp -96.16 -64.34 1.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.359 1.064 . . . . 0.0 111.173 -178.448 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -60.21 -15.62 26.02 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.764 179.382 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -94.68 -34.27 12.63 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.397 1.079 . . . . 0.0 108.451 178.322 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -76.5 -12.49 60.04 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 122.394 1.092 . . . . 0.0 108.611 175.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 tt -93.23 -45.51 7.82 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 112.529 -2.123 . . . . 0.0 106.462 178.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.52 -17.02 64.07 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 113.513 -1.676 . . . . 0.0 110.155 176.574 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.69 -23.95 18.04 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 177.254 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -79.87 -30.53 40.24 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 113.791 -1.55 . . . . 0.0 109.547 178.388 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -84.1 -29.73 26.54 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 126.372 1.869 . . . . 0.0 107.468 179.031 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -80.24 -25.83 39.36 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 174.539 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -76.73 -30.48 56.63 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 113.349 -1.75 . . . . 0.0 108.802 175.543 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.62 -48.18 81.87 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 123.746 1.736 . . . . 0.0 109.023 176.3 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -26.84 2.98 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-N 112.792 -2.004 . . . . 0.0 108.331 176.604 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.18 -35.29 8.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 112.675 -2.057 . . . . 0.0 112.551 176.385 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.57 -47.84 8.0 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.235 1.014 . . . . 0.0 110.062 -176.716 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -71.06 -25.72 62.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.279 -1.328 . . . . 0.0 108.21 176.52 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -80.22 -26.16 39.26 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 174.545 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.39 -22.01 30.62 Favored 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 125.066 1.479 . . . . 0.0 108.144 176.624 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -86.05 -14.17 45.18 Favored 'General case' 0 C--N 1.341 0.237 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 175.145 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.3 -24.65 18.07 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 112.799 -2.0 . . . . 0.0 106.741 176.156 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -84.99 -30.23 24.37 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 106.138 -1.801 . . . . 0.0 106.138 175.678 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 14.4 tp -78.9 -31.52 45.4 Favored 'General case' 0 C--O 1.206 -1.234 0 CA-C-N 111.767 -2.469 . . . . 0.0 107.951 175.922 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -82.07 -20.31 38.47 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 177.082 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -87.48 -31.66 19.86 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 112.91 -1.95 . . . . 0.0 107.509 176.259 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -87.04 -16.15 36.5 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.827 176.324 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 9.3 tt -65.63 -60.08 3.28 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.218 178.672 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -82.15 -44.28 16.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.725 -1.125 . . . . 0.0 112.349 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.075 -0.964 . . . . 0.0 111.124 -179.991 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.437 0 CA-C-O 120.917 0.389 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -92.58 -31.26 15.25 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 179.187 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.04 -24.95 26.18 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 112.88 -1.964 . . . . 0.0 108.199 177.134 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -87.68 -17.32 32.06 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 113.924 -1.489 . . . . 0.0 109.939 177.124 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.0 -21.83 23.3 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 106.185 -1.783 . . . . 0.0 106.185 176.591 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tt -88.65 -36.47 16.22 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 111.532 -2.576 . . . . 0.0 106.694 177.434 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.88 -20.72 52.46 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 113.116 -1.856 . . . . 0.0 108.065 176.311 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -28.77 19.42 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 176.136 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -80.85 -20.38 42.49 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 125.409 1.693 . . . . 0.0 106.815 176.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.22 -35.32 23.56 Favored 'General case' 0 N--CA 1.419 -1.976 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 175.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -78.86 -19.7 51.36 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 111.962 -2.381 . . . . 0.0 109.074 176.87 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.23 -19.39 24.22 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 174.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.78 -33.09 23.07 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 111.131 -2.759 . . . . 0.0 106.872 175.808 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -82.4 -27.12 32.22 Favored 'General case' 0 CA--C 1.49 -1.338 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 177.052 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.55 -19.25 35.99 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 112.107 -2.315 . . . . 0.0 107.265 175.383 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 tt -86.24 -38.57 17.46 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 113.72 -1.582 . . . . 0.0 106.84 175.532 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.04 -31.32 62.84 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 113.249 -1.796 . . . . 0.0 107.336 175.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.95 -19.25 44.57 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 112.916 -1.947 . . . . 0.0 109.017 175.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.03 -31.17 19.44 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 104.697 -2.334 . . . . 0.0 104.697 175.758 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tt -74.61 -42.75 58.08 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 112.713 -2.039 . . . . 0.0 106.139 175.071 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.34 -14.49 61.75 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 113.556 -1.657 . . . . 0.0 110.421 176.678 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.09 -28.41 48.71 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.558 1.143 . . . . 0.0 109.315 178.559 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tt -75.31 -46.49 33.05 Favored 'General case' 0 C--O 1.215 -0.722 0 C-N-CA 125.934 1.693 . . . . 0.0 107.693 179.094 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.6 -22.72 65.35 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 112.124 -2.307 . . . . 0.0 107.792 175.589 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -83.28 -36.49 24.45 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 113.039 -1.891 . . . . 0.0 107.666 174.257 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.71 -35.49 65.14 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 175.584 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.451 -0.39 0 CA-C-N 112.469 -2.15 . . . . 0.0 109.643 176.882 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 . . . . . 0 N--CA 1.469 0.484 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.61 -7.52 15.66 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.426 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tt -96.68 -68.61 0.79 Allowed 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.713 0.805 . . . . 0.0 111.113 -178.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.23 -12.76 54.78 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 114.161 -1.382 . . . . 0.0 111.909 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -95.22 -37.91 10.8 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.328 1.051 . . . . 0.0 109.116 179.283 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 39.0 mttp -75.63 -12.87 60.29 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.91 0.862 . . . . 0.0 109.337 176.625 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 11.9 tp -93.52 -41.89 9.53 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 126.257 1.823 . . . . 0.0 106.989 178.026 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.52 -17.07 63.55 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 113.886 -1.506 . . . . 0.0 109.679 176.618 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.44 -26.36 17.25 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-N 114.214 -1.357 . . . . 0.0 108.184 177.717 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.76 -11.53 50.78 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 124.701 1.25 . . . . 0.0 109.374 178.68 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -95.63 -33.88 12.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.109 -1.859 . . . . 0.0 106.474 178.445 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.15 -29.84 34.6 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 112.36 -2.2 . . . . 0.0 107.439 176.257 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -82.88 -14.43 54.25 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.216 176.361 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.88 -23.13 24.05 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-O 122.151 0.977 . . . . 0.0 110.33 178.692 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.58 -18.71 23.65 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 112.313 -2.222 . . . . 0.0 105.978 178.187 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.45 -23.97 17.51 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 112.151 -2.295 . . . . 0.0 107.301 177.634 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.23 -40.5 17.99 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 175.85 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -70.74 -30.37 66.87 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 113.543 -1.662 . . . . 0.0 108.341 176.123 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.79 -26.59 49.8 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 174.591 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -84.93 -22.81 29.1 Favored 'General case' 0 CA--C 1.51 -0.575 0 O-C-N 125.024 1.453 . . . . 0.0 108.26 176.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -84.24 -14.41 50.03 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 174.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.29 -25.17 17.88 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 112.764 -2.016 . . . . 0.0 106.734 176.339 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -86.16 -29.49 23.22 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 175.808 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 8.4 tp -79.74 -30.64 40.92 Favored 'General case' 0 C--O 1.208 -1.131 0 CA-C-N 111.992 -2.367 . . . . 0.0 107.941 175.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.73 -20.38 36.1 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 176.856 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.16 -32.49 17.46 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 112.961 -1.927 . . . . 0.0 107.998 176.664 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -86.33 -18.14 32.71 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.857 176.714 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.73 -59.97 4.23 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.676 0.61 . . . . 0.0 112.351 178.486 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -87.95 -42.05 12.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.633 179.337 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.208 0 C-N-CA 124.459 1.104 . . . . 0.0 112.293 179.98 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.309 0 CA-C-O 121.382 0.61 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -92.26 -47.32 7.27 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 179.245 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.04 -26.21 65.76 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 112.971 -1.922 . . . . 0.0 109.137 176.536 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -89.11 -16.68 30.91 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.999 1.437 . . . . 0.0 110.54 177.743 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.11 -23.26 23.73 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 106.783 -1.562 . . . . 0.0 106.783 177.169 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tp -91.56 -31.06 16.06 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 111.833 -2.439 . . . . 0.0 107.258 177.855 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.17 -21.0 36.74 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 113.425 -1.716 . . . . 0.0 107.711 176.121 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -29.24 18.62 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 176.211 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -81.01 -20.24 42.21 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 125.4 1.687 . . . . 0.0 106.799 176.716 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.87 -35.59 26.11 Favored 'General case' 0 N--CA 1.421 -1.894 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 175.59 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -79.06 -19.52 51.17 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 111.935 -2.393 . . . . 0.0 109.014 177.003 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -91.24 -18.28 24.66 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 174.918 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -84.86 -33.88 22.75 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 111.242 -2.708 . . . . 0.0 106.757 175.635 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -83.16 -26.92 30.46 Favored 'General case' 0 CA--C 1.491 -1.309 0 CA-C-N 113.556 -1.656 . . . . 0.0 106.812 177.278 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.17 -17.29 37.63 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 112.134 -2.303 . . . . 0.0 107.455 175.549 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 tt -84.57 -39.85 18.26 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 175.025 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.12 -31.66 58.75 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 112.961 -1.927 . . . . 0.0 107.949 176.774 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.0 -19.47 40.41 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 113.314 -1.767 . . . . 0.0 109.233 176.425 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.37 -32.92 19.34 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 104.534 -2.395 . . . . 0.0 104.534 175.731 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 tt -72.7 -45.69 57.51 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 112.727 -2.033 . . . . 0.0 106.08 174.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.07 -14.14 62.53 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 113.724 -1.58 . . . . 0.0 110.687 177.765 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.28 -24.53 39.97 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.605 1.162 . . . . 0.0 109.879 178.696 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 tt -85.95 -42.24 14.21 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 113.701 -1.59 . . . . 0.0 108.608 179.766 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.95 -26.72 60.64 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-N 112.986 -1.915 . . . . 0.0 108.351 177.068 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -84.02 -29.96 26.51 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 113.937 -1.483 . . . . 0.0 107.408 174.862 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.86 -40.03 69.27 Favored 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 174.744 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.45 -0.454 0 CA-C-N 111.788 -2.46 . . . . 0.0 110.007 177.038 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.91 -12.3 15.2 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -179.076 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 tt -97.33 -69.79 0.74 Allowed 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.263 0.625 . . . . 0.0 111.348 -178.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.48 -13.08 37.0 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 114.565 -1.198 . . . . 0.0 112.238 -179.561 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -95.91 -40.4 9.32 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.453 1.101 . . . . 0.0 109.733 179.241 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -76.73 -12.15 59.95 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 121.751 0.786 . . . . 0.0 109.894 177.804 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.33 -43.81 8.61 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-N 113.392 -1.731 . . . . 0.0 106.728 177.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.19 -18.86 65.61 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 113.212 -1.813 . . . . 0.0 109.912 176.044 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.73 -26.36 17.04 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.354 177.736 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -86.26 -10.94 53.62 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.553 178.724 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -95.04 -29.86 14.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 113.221 -1.809 . . . . 0.0 106.216 178.009 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.4 -29.92 27.76 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 112.507 -2.133 . . . . 0.0 106.91 175.608 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -85.2 -13.92 48.45 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.553 175.856 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 tt -83.91 -37.36 22.46 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 124.92 1.288 . . . . 0.0 109.351 178.68 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -18.8 57.89 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 112.448 -2.16 . . . . 0.0 107.411 176.415 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.64 -19.79 20.14 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 112.564 -2.107 . . . . 0.0 106.72 177.435 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.59 -40.11 16.61 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 112.812 -1.995 . . . . 0.0 105.673 176.126 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -75.79 -27.33 57.96 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 113.035 -1.893 . . . . 0.0 108.502 177.092 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -82.76 -17.2 45.06 Favored 'General case' 0 C--N 1.345 0.411 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 174.261 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -92.22 -24.22 19.1 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 113.47 -1.695 . . . . 0.0 107.734 175.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -89.51 -14.55 34.97 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 113.767 -1.56 . . . . 0.0 107.715 176.731 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.02 -21.93 19.46 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 176.033 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.19 -36.09 23.06 Favored 'General case' 0 N--CA 1.426 -1.648 0 CA-C-N 112.586 -2.097 . . . . 0.0 106.284 176.174 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 12.6 tp -77.82 -27.68 50.1 Favored 'General case' 0 C--O 1.203 -1.353 0 CA-C-N 111.867 -2.424 . . . . 0.0 108.08 176.147 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.32 -19.71 35.7 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 176.507 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -88.83 -33.16 17.48 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 112.591 -2.095 . . . . 0.0 107.984 176.494 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -88.69 -16.75 31.54 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.423 -1.262 . . . . 0.0 110.481 177.263 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mt -57.89 -60.34 3.86 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.23 0.538 . . . . 0.0 112.372 178.756 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -89.95 -42.6 11.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.683 179.251 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.224 0 C-N-CA 124.416 1.086 . . . . 0.0 112.252 -179.859 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 121.139 0.495 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -92.89 -35.13 13.51 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.175 -1.375 . . . . 0.0 107.289 179.29 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.31 -25.22 36.63 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 113.01 -1.904 . . . . 0.0 108.348 177.199 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -89.31 -16.82 30.21 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.42 177.809 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -23.95 23.88 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 177.006 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp -90.32 -31.08 17.07 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 111.986 -2.37 . . . . 0.0 107.042 177.663 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.9 -19.35 37.52 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 113.454 -1.703 . . . . 0.0 107.986 176.232 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -22.22 19.2 Favored 'General case' 0 C--N 1.344 0.341 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 176.113 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -86.55 -22.19 26.47 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 113.007 -1.906 . . . . 0.0 106.405 176.011 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.24 -38.63 18.7 Favored 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 113.068 -1.878 . . . . 0.0 106.659 176.567 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -77.41 -16.83 58.62 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 112.62 -2.082 . . . . 0.0 108.37 176.921 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.9 -31.48 23.67 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 175.088 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -78.07 -33.26 50.92 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 110.75 -2.932 . . . . 0.0 107.918 176.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -82.32 -23.68 34.99 Favored 'General case' 0 CA--C 1.489 -1.375 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 177.217 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.24 -17.61 34.27 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 111.729 -2.487 . . . . 0.0 107.061 174.718 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -91.31 -26.35 18.99 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 176.157 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.89 -32.76 20.03 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 176.192 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -79.77 -14.95 58.35 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 113.047 -1.888 . . . . 0.0 109.355 176.052 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.31 -31.77 13.29 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 105.147 -2.168 . . . . 0.0 105.147 175.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 tt -76.78 -45.53 28.55 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 112.959 -1.928 . . . . 0.0 107.964 176.132 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.77 -12.71 60.23 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 114.275 -1.329 . . . . 0.0 111.14 178.772 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -26.41 53.22 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.116 0.967 . . . . 0.0 109.633 178.471 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.72 -46.05 16.14 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 113.073 -1.876 . . . . 0.0 108.295 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.33 -23.78 59.1 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 113.591 -1.641 . . . . 0.0 108.068 175.867 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -79.72 -22.43 43.34 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 174.082 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.43 -42.61 9.66 Favored 'General case' 0 N--CA 1.423 -1.807 0 CA-C-N 113.75 -1.568 . . . . 0.0 109.341 175.8 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 113.614 -1.63 . . . . 0.0 113.959 -178.654 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 . . . . . 0 N--CA 1.471 0.608 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.54 -6.43 5.16 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -179.185 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.3 tt -94.19 -64.15 1.11 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.0 1.32 . . . . 0.0 109.036 -179.536 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -60.5 -13.37 13.44 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 114.36 -1.291 . . . . 0.0 111.235 178.413 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -95.55 -38.73 10.29 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.785 1.234 . . . . 0.0 109.139 178.632 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -75.05 -13.64 60.51 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-O 121.954 0.883 . . . . 0.0 109.823 177.201 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 mp -93.24 -44.37 8.36 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-N 113.15 -1.841 . . . . 0.0 106.56 178.245 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.78 -17.91 64.96 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 113.268 -1.787 . . . . 0.0 110.081 176.32 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.6 -27.34 15.96 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 114.476 -1.238 . . . . 0.0 108.519 178.001 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.93 -11.4 50.75 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.924 179.353 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -94.34 -33.05 13.34 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 111.312 -2.676 . . . . 0.0 106.685 178.123 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -27.82 34.24 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 112.621 -2.081 . . . . 0.0 106.868 175.298 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -86.35 -14.5 43.33 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.572 176.319 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.02 -22.65 22.88 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-O 122.123 0.964 . . . . 0.0 110.075 178.463 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.89 -18.63 24.46 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 112.162 -2.29 . . . . 0.0 105.928 178.167 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.68 -24.74 17.03 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 112.203 -2.271 . . . . 0.0 107.34 177.365 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.98 -39.93 17.51 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 175.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -70.05 -31.39 68.98 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 113.689 -1.596 . . . . 0.0 108.179 175.869 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -77.48 -26.63 51.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 174.566 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.49 -19.8 30.66 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 125.011 1.444 . . . . 0.0 108.036 176.801 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -86.69 -14.23 43.12 Favored 'General case' 0 C--N 1.345 0.388 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 174.717 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.37 -24.5 18.07 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 112.568 -2.105 . . . . 0.0 106.785 176.258 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -86.03 -29.14 23.68 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 175.573 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.9 tp -80.72 -30.46 36.26 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 111.864 -2.425 . . . . 0.0 107.924 175.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.87 -19.99 36.4 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 176.778 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -86.15 -32.82 21.08 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 112.781 -2.009 . . . . 0.0 107.635 176.129 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -88.19 -16.41 33.38 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.259 -1.337 . . . . 0.0 110.191 176.79 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 55.7 tp -58.36 -59.64 5.03 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.128 178.78 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -89.75 -42.3 11.38 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.737 179.65 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.163 0 C-N-CA 124.458 1.103 . . . . 0.0 112.314 -179.792 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.257 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -96.06 -51.78 4.3 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.507 -178.43 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.98 -32.05 73.03 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 114.017 -1.447 . . . . 0.0 112.15 -178.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -90.43 -12.82 36.3 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.21 0.944 . . . . 0.0 110.175 178.566 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.19 -21.4 23.3 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 175.492 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tt -89.41 -36.39 15.5 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 111.382 -2.645 . . . . 0.0 106.733 177.661 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.04 -20.24 52.8 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 113.189 -1.823 . . . . 0.0 107.983 176.305 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -29.36 18.88 Favored 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 175.933 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -80.1 -21.03 43.75 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 125.536 1.772 . . . . 0.0 106.867 176.766 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.71 -35.16 26.96 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 175.788 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -78.01 -19.98 53.39 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 111.736 -2.484 . . . . 0.0 108.611 176.789 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -91.68 -17.6 25.23 Favored 'General case' 0 CA--C 1.494 -1.174 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 174.703 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -88.89 -22.95 22.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 111.483 -2.598 . . . . 0.0 107.433 175.485 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -90.17 -27.03 19.84 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 176.388 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.25 -17.87 29.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 111.274 -2.694 . . . . 0.0 107.606 175.353 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.95 -23.83 21.45 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 105.817 -1.92 . . . . 0.0 105.817 175.058 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.15 -37.81 25.64 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 112.828 -1.987 . . . . 0.0 107.384 176.27 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.49 -18.7 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 112.383 -2.19 . . . . 0.0 109.06 176.416 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.71 -30.76 18.85 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 104.415 -2.439 . . . . 0.0 104.415 175.687 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 tt -72.98 -42.49 63.25 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 112.819 -1.991 . . . . 0.0 105.977 174.549 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.77 -14.61 61.57 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 113.296 -1.775 . . . . 0.0 110.482 177.44 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.39 -26.83 52.17 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 124.531 1.132 . . . . 0.0 110.212 178.702 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.81 -28.37 33.18 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 125.558 1.543 . . . . 0.0 109.206 179.241 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -84.73 -22.95 29.51 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 111.724 -2.489 . . . . 0.0 106.58 176.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -86.24 -33.28 20.76 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 112.444 -2.162 . . . . 0.0 107.935 174.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.54 -35.12 65.49 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 174.782 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.448 -0.545 0 CA-C-N 112.096 -2.32 . . . . 0.0 109.688 176.365 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.34 -5.78 2.71 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -179.136 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.8 mt -90.86 -64.19 1.16 Allowed 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 124.183 0.993 . . . . 0.0 109.383 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -59.5 -13.25 8.24 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 114.513 -1.222 . . . . 0.0 110.73 177.188 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -95.41 -36.3 11.4 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.107 1.363 . . . . 0.0 108.706 178.504 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -74.19 -13.3 60.78 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 122.11 0.957 . . . . 0.0 109.273 176.155 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -93.19 -43.62 8.75 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 112.871 -1.968 . . . . 0.0 106.701 178.156 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.94 -18.51 65.39 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 113.069 -1.878 . . . . 0.0 109.855 176.009 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.99 -25.38 16.53 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.048 -1.433 . . . . 0.0 108.206 177.583 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -86.4 -10.83 53.52 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.159 178.55 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -94.37 -29.81 14.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.266 -1.788 . . . . 0.0 106.733 178.383 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -28.12 24.25 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 112.674 -2.057 . . . . 0.0 107.2 175.806 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -91.45 -13.61 31.97 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.449 -1.25 . . . . 0.0 109.797 176.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 26.5 tp -76.16 -40.11 53.33 Favored 'General case' 0 C--O 1.204 -1.339 0 C-N-CA 125.423 1.489 . . . . 0.0 111.169 178.904 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -16.55 54.9 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 112.208 -2.269 . . . . 0.0 107.898 178.617 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.18 -28.09 14.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 112.876 -1.965 . . . . 0.0 109.154 178.797 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.65 -38.79 12.87 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.34 -1.3 . . . . 0.0 107.562 178.128 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -71.77 -27.3 62.87 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 114.137 -1.392 . . . . 0.0 108.551 176.235 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -81.18 -19.07 44.14 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 174.012 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -92.72 -25.12 18.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 113.431 -1.713 . . . . 0.0 108.62 177.179 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.08 -15.89 32.86 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 113.963 -1.471 . . . . 0.0 108.165 177.196 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.84 -21.92 19.6 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 105.782 -1.932 . . . . 0.0 105.782 176.242 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.15 -36.49 24.71 Favored 'General case' 0 N--CA 1.428 -1.546 0 CA-C-N 112.87 -1.968 . . . . 0.0 106.368 176.099 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.0 tp -76.73 -29.21 56.09 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 111.928 -2.396 . . . . 0.0 108.014 176.21 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.66 -20.85 35.45 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 106.479 -1.675 . . . . 0.0 106.479 177.272 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -89.09 -33.24 17.18 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 113.105 -1.861 . . . . 0.0 108.059 176.321 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -84.34 -18.29 36.68 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.644 -1.162 . . . . 0.0 109.673 176.69 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -58.27 -60.05 4.36 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.222 178.254 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -92.23 -42.61 9.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.703 179.507 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.189 0 C-N-CA 124.32 1.048 . . . . 0.0 112.142 -179.781 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.277 0 CA-C-O 121.056 0.455 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -95.45 -61.11 1.52 Allowed 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.705 -179.328 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -31.44 66.45 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 113.418 -1.719 . . . . 0.0 112.428 -179.519 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -92.46 -11.93 33.41 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 124.151 0.907 . . . . 0.0 110.395 178.561 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.75 -21.69 22.54 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 175.532 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 tt -88.37 -40.75 13.31 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 111.133 -2.758 . . . . 0.0 106.273 177.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.76 -16.64 59.42 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 125.387 1.679 . . . . 0.0 107.92 176.282 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.73 -28.97 22.75 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 104.829 -2.286 . . . . 0.0 104.829 174.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -83.1 -19.84 36.0 Favored 'General case' 0 C--N 1.342 0.239 0 CA-C-N 112.842 -1.981 . . . . 0.0 107.65 177.242 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.33 -21.06 22.21 Favored 'General case' 0 CA--C 1.497 -1.096 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 175.527 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 15.7 t-105 -87.21 -24.2 24.51 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 111.124 -2.762 . . . . 0.0 108.189 176.317 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -92.13 -18.51 23.44 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 175.752 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.29 -23.26 26.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 111.989 -2.369 . . . . 0.0 106.876 175.525 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -34.33 19.6 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-N 112.626 -2.079 . . . . 0.0 106.327 176.831 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.7 -16.47 44.82 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 111.663 -2.517 . . . . 0.0 107.733 175.643 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.35 -24.79 21.88 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 174.73 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.56 -38.28 23.93 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 112.739 -2.028 . . . . 0.0 107.604 176.544 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -80.34 -18.04 50.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 112.376 -2.193 . . . . 0.0 109.292 176.722 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.44 -30.99 19.02 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 175.363 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.96 -43.65 62.04 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 112.566 -2.106 . . . . 0.0 106.107 174.582 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.85 -12.64 60.74 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 113.503 -1.681 . . . . 0.0 110.765 177.208 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.43 -23.66 34.73 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 124.88 1.272 . . . . 0.0 109.531 178.196 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 32.2 tp -78.9 -46.14 19.09 Favored 'General case' 0 C--O 1.215 -0.758 0 C-N-CA 126.059 1.744 . . . . 0.0 108.425 179.45 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -25.8 59.27 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 111.613 -2.54 . . . . 0.0 107.79 175.744 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.07 -21.49 39.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 113.949 -1.478 . . . . 0.0 107.256 174.766 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.9 -40.86 12.13 Favored 'General case' 0 N--CA 1.42 -1.936 0 CA-C-N 113.806 -1.543 . . . . 0.0 108.539 175.549 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 113.089 -1.868 . . . . 0.0 113.313 -179.867 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.468 0.444 0 CA-C-O 120.689 0.281 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.33 -5.89 0.14 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.617 1.167 . . . . 0.0 114.07 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -94.65 -68.77 0.78 Allowed 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 123.955 0.902 . . . . 0.0 109.989 -179.184 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -61.76 -12.29 16.27 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 113.991 -1.459 . . . . 0.0 111.824 178.7 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -95.6 -41.79 8.74 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 124.753 1.221 . . . . 0.0 109.491 179.027 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -75.26 -12.51 60.3 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.899 177.505 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 mp -93.25 -44.53 8.28 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 113.397 -1.728 . . . . 0.0 106.897 178.202 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.88 -18.9 65.65 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 113.246 -1.797 . . . . 0.0 109.932 176.355 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.23 -25.89 17.61 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 114.392 -1.276 . . . . 0.0 108.353 177.777 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -87.37 -12.97 44.75 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.692 178.907 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -94.9 -32.09 13.38 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 126.414 1.885 . . . . 0.0 106.479 178.254 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -30.43 38.1 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 112.527 -2.124 . . . . 0.0 107.124 175.655 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -85.48 -14.17 46.87 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.866 175.905 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 tt -85.07 -36.45 21.18 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 124.966 1.307 . . . . 0.0 109.462 178.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.27 -18.67 55.01 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 112.57 -2.105 . . . . 0.0 107.301 176.51 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.81 -18.33 21.31 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 112.601 -2.091 . . . . 0.0 106.741 177.247 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.44 -40.79 14.05 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 112.855 -1.975 . . . . 0.0 105.798 176.294 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -76.68 -27.37 55.53 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 113.121 -1.854 . . . . 0.0 108.782 177.444 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -82.86 -16.99 45.47 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 107.013 -1.476 . . . . 0.0 107.013 174.209 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.5 -23.57 19.06 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 113.45 -1.705 . . . . 0.0 107.737 176.235 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -90.11 -15.71 31.09 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 113.845 -1.525 . . . . 0.0 107.794 176.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.99 -21.55 19.7 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 176.281 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.25 -36.24 22.83 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 112.753 -2.022 . . . . 0.0 106.437 176.09 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 12.4 tp -76.63 -29.09 56.32 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-N 111.956 -2.383 . . . . 0.0 108.022 176.177 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.37 -20.04 34.97 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 177.071 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -89.02 -32.96 17.34 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 112.875 -1.966 . . . . 0.0 107.987 176.442 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -86.53 -17.91 32.89 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.134 176.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.59 -60.26 3.94 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.281 178.361 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -91.76 -42.28 10.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.706 179.353 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.13 0 C-N-CA 124.378 1.071 . . . . 0.0 112.257 -179.956 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.332 0 CA-C-O 121.04 0.448 . . . . 0.0 112.139 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.2 tt -95.7 -60.74 1.59 Allowed 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.956 -179.076 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.58 -31.75 69.74 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 113.565 -1.652 . . . . 0.0 112.545 -179.302 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -93.14 -11.77 32.01 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.236 0.96 . . . . 0.0 110.314 179.3 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -24.59 22.71 Favored 'General case' 0 C--O 1.227 -0.101 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 175.599 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -93.76 -20.94 19.64 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 111.961 -2.381 . . . . 0.0 107.285 177.84 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.29 -19.22 23.2 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 175.888 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.67 -28.9 18.05 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 175.866 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -82.64 -18.33 41.48 Favored 'General case' 0 CA--C 1.51 -0.567 0 O-C-N 125.4 1.687 . . . . 0.0 106.932 176.626 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.53 -32.16 24.04 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 105.655 -1.98 . . . . 0.0 105.655 175.114 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 13.8 t-105 -81.12 -23.39 38.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 110.99 -2.823 . . . . 0.0 109.21 177.061 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.83 -23.96 22.69 Favored 'General case' 0 CA--C 1.494 -1.188 0 N-CA-C 105.854 -1.906 . . . . 0.0 105.854 175.827 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 tp -76.38 -38.82 55.21 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 111.777 -2.465 . . . . 0.0 106.81 175.171 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.39 -35.25 70.97 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 112.828 -1.987 . . . . 0.0 107.522 176.612 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.67 -26.09 54.43 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 111.931 -2.395 . . . . 0.0 107.909 176.012 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.23 -36.16 40.45 Favored 'General case' 0 CA--C 1.499 -1.017 0 O-C-N 125.288 1.618 . . . . 0.0 107.797 176.55 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.85 -30.98 62.96 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 111.714 -2.494 . . . . 0.0 106.697 175.018 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.19 -18.6 42.12 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 112.456 -2.156 . . . . 0.0 109.271 175.702 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.8 -40.45 20.4 Favored 'General case' 0 CA--C 1.491 -1.313 0 N-CA-C 104.081 -2.563 . . . . 0.0 104.081 174.344 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 tt -65.24 -43.89 89.92 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 110.735 -2.939 . . . . 0.0 107.058 174.845 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.71 -12.63 60.23 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 113.871 -1.513 . . . . 0.0 110.876 177.586 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.32 -27.29 47.17 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 124.364 1.065 . . . . 0.0 109.236 178.572 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -77.01 -46.4 23.96 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-N 113.773 -1.558 . . . . 0.0 107.884 179.544 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.5 -20.28 63.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 112.316 -2.22 . . . . 0.0 106.995 174.896 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -82.43 -26.11 33.03 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 113.107 -1.86 . . . . 0.0 107.236 173.756 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.67 -38.6 11.24 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 114.182 -1.372 . . . . 0.0 109.266 175.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 9.5 mp . . . . . 0 N--CA 1.472 0.645 0 CA-C-N 113.637 -1.62 . . . . 0.0 113.534 -178.841 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 . . . . . 0 N--CA 1.471 0.596 0 CA-C-O 120.715 0.293 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.36 -6.78 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -179.796 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 37.3 tp -93.43 -68.04 0.82 Allowed 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.562 1.145 . . . . 0.0 108.998 -179.86 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.55 -11.54 4.89 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.84 177.441 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -95.03 -40.13 9.81 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 125.26 1.424 . . . . 0.0 109.137 178.716 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -73.16 -13.22 61.13 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 121.994 0.902 . . . . 0.0 109.635 176.707 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 6.3 mp -93.47 -43.7 8.6 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 113.168 -1.833 . . . . 0.0 106.653 177.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.09 -18.02 65.08 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 113.066 -1.879 . . . . 0.0 109.891 176.098 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.77 -24.76 16.95 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 114.292 -1.322 . . . . 0.0 108.169 177.821 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -86.71 -14.4 42.58 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 114.285 -1.325 . . . . 0.0 109.465 178.566 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -95.34 -31.14 13.57 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 126.209 1.804 . . . . 0.0 106.522 178.423 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -30.5 33.85 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 112.727 -2.033 . . . . 0.0 107.187 175.925 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -84.61 -14.05 49.83 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.365 -1.289 . . . . 0.0 109.516 175.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 tt -83.88 -38.55 20.98 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 125.07 1.348 . . . . 0.0 109.344 178.778 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.32 -17.64 56.28 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 112.417 -2.174 . . . . 0.0 107.4 176.815 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.21 -23.13 18.01 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 112.652 -2.067 . . . . 0.0 107.62 177.895 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.43 -40.01 16.9 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 176.106 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -73.3 -27.36 61.49 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 113.213 -1.812 . . . . 0.0 108.664 176.59 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -82.59 -17.56 44.37 Favored 'General case' 0 C--N 1.345 0.412 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 173.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -92.31 -24.23 19.02 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 113.41 -1.723 . . . . 0.0 107.75 176.251 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -89.43 -14.68 34.88 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 113.775 -1.557 . . . . 0.0 107.738 176.592 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.01 -22.18 19.31 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 176.078 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.16 -36.29 22.98 Favored 'General case' 0 N--CA 1.427 -1.622 0 CA-C-N 112.644 -2.071 . . . . 0.0 106.421 176.282 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 tp -78.06 -27.44 48.63 Favored 'General case' 0 C--O 1.205 -1.254 0 CA-C-N 111.965 -2.379 . . . . 0.0 108.174 176.201 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.96 -20.39 35.3 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 176.513 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -89.26 -31.98 17.61 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 112.762 -2.017 . . . . 0.0 107.896 176.502 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -86.89 -18.72 30.19 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 114.387 -1.279 . . . . 0.0 110.082 176.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -57.08 -60.14 4.04 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.546 178.636 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -82.94 -41.61 18.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.497 -1.229 . . . . 0.0 112.144 179.64 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.065 -0.969 . . . . 0.0 111.28 -179.827 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 121.217 0.532 . . . . 0.0 109.694 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -92.7 -37.16 12.54 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.937 -1.483 . . . . 0.0 107.349 179.415 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.75 -24.25 44.88 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 113.11 -1.859 . . . . 0.0 108.373 177.003 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -87.74 -18.13 30.12 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 113.726 -1.579 . . . . 0.0 109.841 176.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.46 -21.04 23.18 Favored 'General case' 0 C--O 1.227 -0.128 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 176.798 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tt -88.56 -35.95 16.63 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 111.638 -2.528 . . . . 0.0 106.598 177.267 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.9 -21.09 51.74 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 113.055 -1.884 . . . . 0.0 108.056 176.183 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -28.62 18.97 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 176.262 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -80.97 -20.2 42.41 Favored 'General case' 0 CA--C 1.51 -0.57 0 O-C-N 125.491 1.744 . . . . 0.0 106.81 176.716 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.95 -34.95 26.35 Favored 'General case' 0 N--CA 1.422 -1.87 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 175.735 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 13.8 t-105 -79.43 -20.1 48.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 111.788 -2.46 . . . . 0.0 108.95 176.816 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.72 -19.05 23.98 Favored 'General case' 0 CA--C 1.495 -1.173 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 175.016 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.18 -33.84 24.11 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 111.221 -2.718 . . . . 0.0 106.858 175.6 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -79.98 -26.92 39.73 Favored 'General case' 0 CA--C 1.489 -1.393 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 176.866 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.55 -16.82 38.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 111.689 -2.505 . . . . 0.0 107.243 175.009 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.4 -26.02 20.1 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 175.171 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.66 -29.7 22.3 Favored 'General case' 0 CA--C 1.5 -0.977 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 176.323 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.46 -19.13 36.41 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 112.62 -2.082 . . . . 0.0 109.099 175.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.25 -31.09 18.05 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 104.45 -2.426 . . . . 0.0 104.45 175.894 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.36 -46.56 48.42 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 112.648 -2.069 . . . . 0.0 105.801 174.451 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.02 -12.68 60.58 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 113.92 -1.491 . . . . 0.0 110.199 177.172 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.89 -29.93 23.28 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 124.587 1.155 . . . . 0.0 109.074 178.089 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -30.92 31.07 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 126.122 1.769 . . . . 0.0 109.432 179.798 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.69 -22.63 37.31 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 112.802 -1.999 . . . . 0.0 106.036 176.076 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -83.62 -35.92 24.27 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 111.979 -2.373 . . . . 0.0 108.067 174.865 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.24 -34.43 65.86 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 175.101 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.367 0 CA-C-N 112.183 -2.28 . . . . 0.0 109.467 176.421 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.67 -11.33 34.4 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.884 0.874 . . . . 0.0 112.984 -179.893 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.1 tt -96.26 -65.27 0.98 Allowed 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 124.763 1.225 . . . . 0.0 109.778 -179.419 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -56.56 -15.79 4.95 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 114.241 -1.345 . . . . 0.0 112.334 179.458 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -95.18 -37.26 11.12 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.368 1.067 . . . . 0.0 108.501 178.227 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -78.45 -12.21 60.0 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 114.858 -1.064 . . . . 0.0 109.403 176.778 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 tt -93.14 -45.09 8.04 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 126.821 2.048 . . . . 0.0 106.51 178.896 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.24 -17.86 64.98 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 113.428 -1.715 . . . . 0.0 109.997 176.172 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.76 -25.8 17.26 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.5 -1.227 . . . . 0.0 108.398 177.726 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.02 -13.19 48.22 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.366 -1.288 . . . . 0.0 109.513 178.747 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -95.2 -30.86 13.79 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 126.191 1.797 . . . . 0.0 106.57 178.156 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -82.04 -31.84 30.75 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 112.593 -2.094 . . . . 0.0 107.25 176.003 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -83.81 -13.97 52.49 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.762 176.035 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tt -83.24 -39.41 20.94 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 125.044 1.338 . . . . 0.0 109.674 178.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.67 -17.48 57.65 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 112.555 -2.111 . . . . 0.0 107.478 177.034 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.43 -24.21 17.43 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 112.627 -2.079 . . . . 0.0 107.896 178.115 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.88 -39.74 17.89 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 176.321 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -72.56 -28.84 63.07 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 113.334 -1.757 . . . . 0.0 108.575 176.467 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -81.96 -17.43 47.03 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 173.948 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.41 -22.97 19.34 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 113.672 -1.604 . . . . 0.0 107.843 176.361 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -89.73 -15.89 31.51 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 113.854 -1.521 . . . . 0.0 107.711 176.718 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.94 -21.51 19.76 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 176.36 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.2 -35.97 23.12 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 112.84 -1.982 . . . . 0.0 106.356 175.945 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 14.6 tp -75.69 -30.41 59.34 Favored 'General case' 0 C--O 1.206 -1.216 0 CA-C-N 111.858 -2.428 . . . . 0.0 108.001 175.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.07 -20.06 35.66 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.321 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -88.16 -31.01 19.37 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 112.93 -1.941 . . . . 0.0 107.564 176.061 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -86.99 -18.73 29.97 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.264 -1.334 . . . . 0.0 109.845 176.792 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.6 -60.47 3.29 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.088 178.68 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -86.5 -43.06 13.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.844 179.515 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.248 0 C-N-CA 124.34 1.056 . . . . 0.0 112.281 -179.948 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.369 0 CA-C-O 121.409 0.623 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tt -90.76 -47.21 7.77 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 113.775 -1.557 . . . . 0.0 106.944 179.573 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.79 -24.01 64.35 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 113.145 -1.843 . . . . 0.0 108.766 176.084 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -84.53 -27.8 27.11 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.996 177.825 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -21.63 34.59 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 178.371 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -93.09 -17.46 23.78 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 112.0 -2.364 . . . . 0.0 106.405 176.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.66 -22.98 20.9 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 113.452 -1.704 . . . . 0.0 107.116 175.49 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -87.3 -33.53 19.19 Favored 'General case' 0 CA--C 1.493 -1.227 0 CA-C-N 113.42 -1.718 . . . . 0.0 106.592 175.907 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -78.18 -21.6 49.9 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 111.03 -2.805 . . . . 0.0 107.834 176.126 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.31 -33.36 23.94 Favored 'General case' 0 N--CA 1.435 -1.197 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 175.527 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 -79.15 -22.37 45.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 111.328 -2.669 . . . . 0.0 108.435 176.705 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.92 -31.31 22.22 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 176.554 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 tt -73.24 -40.21 64.84 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 111.195 -2.73 . . . . 0.0 106.459 176.052 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -34.09 75.54 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 113.192 -1.822 . . . . 0.0 107.262 175.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.36 -17.98 50.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 111.73 -2.486 . . . . 0.0 108.011 175.516 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -90.19 -25.47 20.62 Favored 'General case' 0 C--N 1.349 0.587 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 175.891 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.44 -28.66 23.38 Favored 'General case' 0 CA--C 1.5 -0.968 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 175.962 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.31 -19.48 33.68 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 112.298 -2.228 . . . . 0.0 108.845 175.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.54 -31.38 19.93 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 104.449 -2.426 . . . . 0.0 104.449 175.752 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 tt -73.33 -41.09 63.91 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 112.626 -2.079 . . . . 0.0 106.056 174.819 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.02 -13.56 60.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 113.479 -1.691 . . . . 0.0 110.256 176.859 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -31.46 24.96 Favored 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 124.469 1.107 . . . . 0.0 109.824 178.574 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -80.72 -26.96 37.06 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 126.031 1.732 . . . . 0.0 108.254 179.408 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.32 -33.12 43.46 Favored 'General case' 0 N--CA 1.426 -1.625 0 CA-C-N 110.593 -3.003 . . . . 0.0 106.835 176.626 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -79.02 -35.13 43.2 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 111.624 -2.535 . . . . 0.0 108.59 175.68 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.84 -33.03 63.96 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 175.405 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-N 112.224 -2.262 . . . . 0.0 109.194 176.248 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.539 0.537 0 CA-C-O 120.546 0.212 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.08 -6.75 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -179.277 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 tt -94.5 -64.96 1.02 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.921 0.888 . . . . 0.0 109.023 179.544 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.1 -11.44 48.91 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.245 -1.343 . . . . 0.0 111.344 178.228 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -95.31 -40.94 9.28 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.726 1.21 . . . . 0.0 109.141 179.17 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -75.68 -12.37 60.18 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.442 176.893 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.99 -40.29 10.64 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 113.332 -1.758 . . . . 0.0 107.497 178.315 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.21 -18.43 63.17 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 112.643 -2.071 . . . . 0.0 109.515 176.196 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.46 -24.14 17.43 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 114.177 -1.374 . . . . 0.0 108.046 177.584 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.8 -14.66 41.57 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 114.242 -1.345 . . . . 0.0 109.586 178.477 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -95.24 -30.17 14.13 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 126.118 1.767 . . . . 0.0 106.596 178.392 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -30.24 28.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 112.614 -2.084 . . . . 0.0 107.327 176.03 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -85.26 -13.95 48.22 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.613 176.046 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 8.9 tp -81.35 -38.79 26.11 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.203 1.401 . . . . 0.0 110.423 179.012 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.78 -17.7 50.04 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 110.792 -2.913 . . . . 0.0 107.39 177.825 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.27 -24.46 17.44 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 112.743 -2.026 . . . . 0.0 107.365 177.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.26 -40.6 17.83 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 175.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -71.86 -29.18 64.1 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 113.454 -1.703 . . . . 0.0 108.246 176.376 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -77.88 -27.37 49.68 Favored 'General case' 0 C--N 1.344 0.357 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 174.393 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.33 -20.15 28.76 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 125.1 1.5 . . . . 0.0 108.146 177.149 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -87.24 -13.5 43.64 Favored 'General case' 0 C--N 1.344 0.333 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 174.903 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.02 -24.85 18.2 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 112.682 -2.054 . . . . 0.0 106.491 176.138 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -85.25 -30.71 23.59 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 175.703 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 tp -80.27 -29.23 38.3 Favored 'General case' 0 C--O 1.203 -1.359 0 CA-C-N 111.972 -2.376 . . . . 0.0 108.111 176.124 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.52 -20.35 36.87 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 176.748 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.01 -32.29 17.67 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 112.927 -1.942 . . . . 0.0 107.999 176.529 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -87.95 -16.85 32.69 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.177 176.924 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.12 -59.98 4.45 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.281 0.562 . . . . 0.0 112.515 178.796 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -83.92 -41.88 16.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.13 179.603 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.361 -179.851 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.443 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tt -93.46 -47.15 6.99 Favored 'General case' 0 CA--C 1.508 -0.657 0 C-N-CA 125.39 1.476 . . . . 0.0 108.819 -178.055 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.69 -29.33 64.58 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 114.153 -1.385 . . . . 0.0 110.462 177.934 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -90.09 -15.7 31.16 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 124.678 1.236 . . . . 0.0 110.68 177.27 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -83.86 -33.25 24.88 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 123.634 1.683 . . . . 0.0 106.763 175.94 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -80.61 -32.09 36.48 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 109.406 -3.543 . . . . 0.0 107.954 177.132 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.28 -17.58 42.1 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 176.298 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.3 -28.93 21.97 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 104.948 -2.242 . . . . 0.0 104.948 175.008 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -83.11 -20.32 35.07 Favored 'General case' 0 C--N 1.345 0.4 0 O-C-N 125.703 1.877 . . . . 0.0 107.294 176.818 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -85.05 -29.34 25.01 Favored 'General case' 0 CA--C 1.493 -1.231 0 N-CA-C 104.758 -2.312 . . . . 0.0 104.758 174.931 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -81.92 -20.65 38.29 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 111.568 -2.56 . . . . 0.0 108.832 176.469 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.18 -19.06 24.66 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 174.887 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -83.8 -34.36 24.75 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 111.296 -2.684 . . . . 0.0 106.874 175.5 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -79.97 -27.44 39.71 Favored 'General case' 0 CA--C 1.489 -1.397 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 176.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.79 -16.27 39.34 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 111.633 -2.531 . . . . 0.0 107.316 175.334 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.12 -26.12 20.37 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 106.819 -1.549 . . . . 0.0 106.819 175.097 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.33 -29.9 21.23 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 113.752 -1.567 . . . . 0.0 106.793 176.446 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.68 -19.88 34.52 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 112.635 -2.075 . . . . 0.0 109.115 176.214 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -32.41 19.03 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 104.644 -2.354 . . . . 0.0 104.644 175.714 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 tt -71.9 -41.5 67.89 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 112.674 -2.057 . . . . 0.0 106.145 174.798 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.73 -13.55 60.62 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 113.321 -1.763 . . . . 0.0 110.8 176.963 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.35 -24.27 25.88 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 124.627 1.171 . . . . 0.0 110.431 179.002 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.46 -28.69 21.92 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 125.471 1.508 . . . . 0.0 107.986 179.364 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.61 -37.18 31.63 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 110.44 -3.073 . . . . 0.0 107.828 177.909 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -80.75 -25.23 38.13 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 113.003 -1.908 . . . . 0.0 108.058 174.927 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.01 -35.28 72.0 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 105.142 -2.17 . . . . 0.0 105.142 174.174 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.443 -0.824 0 CA-C-N 110.868 -2.878 . . . . 0.0 111.93 177.202 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 . . . . . 0 N--CA 1.469 0.524 0 CA-C-O 120.89 0.376 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.75 -6.66 42.55 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.17 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.7 tt -95.78 -69.69 0.74 Allowed 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 123.991 0.916 . . . . 0.0 111.122 -177.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.21 -12.95 14.83 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.257 -179.572 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -96.41 -42.73 7.97 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.405 1.082 . . . . 0.0 109.564 179.26 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -77.05 -12.06 59.89 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 124.055 0.847 . . . . 0.0 110.485 178.391 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -92.63 -44.32 8.64 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-N 113.695 -1.593 . . . . 0.0 106.999 178.093 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.39 -17.05 64.14 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 113.088 -1.869 . . . . 0.0 110.112 176.491 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -95.22 -25.96 16.16 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.621 -1.172 . . . . 0.0 107.969 177.258 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 53.4 tp -74.9 -41.24 60.12 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.225 1.41 . . . . 0.0 110.483 178.886 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -73.25 -32.68 64.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 112.607 -2.088 . . . . 0.0 108.261 177.51 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -75.74 -30.68 59.3 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 113.352 -1.749 . . . . 0.0 106.341 175.285 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -85.41 -14.64 45.63 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 113.56 -1.655 . . . . 0.0 110.196 175.684 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -90.05 -16.91 28.77 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 124.133 0.973 . . . . 0.0 110.138 179.018 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.6 -20.99 18.52 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 178.573 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.95 -20.92 18.98 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 111.838 -2.437 . . . . 0.0 107.374 178.256 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.62 -37.2 14.81 Favored 'General case' 0 C--N 1.346 0.42 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 176.437 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -75.03 -31.89 61.44 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 113.394 -1.73 . . . . 0.0 108.406 176.835 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -77.16 -25.68 52.19 Favored 'General case' 0 C--N 1.344 0.339 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 174.672 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -85.69 -21.72 28.19 Favored 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 125.088 1.493 . . . . 0.0 108.369 177.116 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -85.78 -14.0 46.49 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 175.066 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.24 -25.02 17.97 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 112.618 -2.083 . . . . 0.0 106.605 176.339 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -85.37 -30.64 23.47 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 175.792 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 13.5 tp -79.11 -30.49 43.78 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-N 112.065 -2.334 . . . . 0.0 108.195 176.031 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.7 -20.16 36.64 Favored 'General case' 0 CA--C 1.508 -0.641 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 176.893 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -89.04 -32.71 17.45 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 112.825 -1.989 . . . . 0.0 108.002 176.614 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -86.87 -17.02 34.32 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.082 176.804 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mt -58.51 -59.98 4.51 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.423 178.665 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -84.41 -41.94 16.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.651 -1.159 . . . . 0.0 112.16 179.757 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.066 -0.969 . . . . 0.0 111.315 -179.788 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.27 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 tt -95.48 -62.55 1.28 Allowed 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.127 -178.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -31.67 67.78 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 113.515 -1.675 . . . . 0.0 112.338 -179.619 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -91.7 -11.87 35.65 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 124.083 0.864 . . . . 0.0 110.292 178.598 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.91 -21.24 23.71 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 175.287 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tt -89.55 -36.82 15.12 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 111.277 -2.692 . . . . 0.0 106.552 177.791 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.96 -18.86 53.04 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 113.17 -1.832 . . . . 0.0 107.751 176.197 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -28.61 18.9 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 175.883 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -81.94 -18.2 44.4 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 125.56 1.788 . . . . 0.0 107.162 176.772 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.41 -31.34 22.95 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 175.42 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 11.0 t-105 -82.17 -22.54 35.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 110.938 -2.846 . . . . 0.0 109.297 176.724 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.89 -19.34 22.59 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 175.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 tt -80.31 -39.24 29.1 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 111.567 -2.56 . . . . 0.0 105.624 175.09 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -34.62 68.54 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 112.641 -2.072 . . . . 0.0 107.998 176.184 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.52 -18.67 44.23 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 112.226 -2.261 . . . . 0.0 108.395 175.816 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 tp -82.25 -38.46 24.42 Favored 'General case' 0 CA--C 1.493 -1.231 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 175.859 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.02 -44.32 63.6 Favored 'General case' 0 C--O 1.204 -1.322 0 CA-C-N 111.64 -2.527 . . . . 0.0 106.0 174.661 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -68.66 -11.29 59.95 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 113.881 -1.509 . . . . 0.0 108.783 176.58 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.15 -34.89 10.97 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 174.544 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 mp -91.43 -55.06 3.65 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 113.463 -1.698 . . . . 0.0 111.893 179.057 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.25 -12.83 57.82 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -176.608 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.22 -23.89 17.7 Favored 'General case' 0 C--O 1.21 -1.001 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.288 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.46 -38.51 74.46 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 126.289 1.835 . . . . 0.0 108.287 177.583 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.97 -25.41 59.92 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 112.437 -2.165 . . . . 0.0 107.252 176.166 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -83.86 -33.57 24.8 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 112.5 -2.136 . . . . 0.0 108.268 175.71 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.14 -33.08 61.5 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 175.369 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 N--CA 1.451 -0.414 0 CA-C-N 112.325 -2.216 . . . . 0.0 109.376 176.462 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 . . . . . 0 N--CA 1.468 0.455 0 CA-C-O 120.787 0.327 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.64 -8.0 0.08 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -179.456 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 tt -94.62 -61.24 1.54 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.441 1.097 . . . . 0.0 108.77 179.544 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.03 -12.71 28.15 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 114.267 -1.333 . . . . 0.0 110.502 177.645 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -95.15 -35.94 11.68 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.134 1.374 . . . . 0.0 108.711 178.581 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -74.89 -14.28 60.64 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-O 122.121 0.963 . . . . 0.0 109.206 176.513 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -93.44 -43.17 8.88 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 112.869 -1.969 . . . . 0.0 106.464 177.827 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.02 -19.1 65.83 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 113.037 -1.892 . . . . 0.0 109.689 176.091 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.34 -26.0 16.75 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 114.224 -1.353 . . . . 0.0 108.31 177.952 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -86.86 -10.66 52.89 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.536 178.741 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -94.91 -30.43 14.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 112.942 -1.935 . . . . 0.0 105.916 178.254 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -31.67 27.38 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 112.35 -2.204 . . . . 0.0 106.979 175.899 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -81.5 -13.81 57.7 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.272 -1.331 . . . . 0.0 109.129 175.753 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 13.7 tp -82.87 -32.42 27.42 Favored 'General case' 0 C--N 1.346 0.414 0 C-N-CA 125.166 1.387 . . . . 0.0 110.484 178.565 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.27 -18.43 39.12 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 127.241 2.217 . . . . 0.0 106.689 177.484 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.46 -19.4 20.6 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 112.294 -2.23 . . . . 0.0 106.4 177.046 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.48 -39.28 15.32 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 112.711 -2.04 . . . . 0.0 105.621 175.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -75.77 -27.41 58.04 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 113.106 -1.861 . . . . 0.0 108.473 176.762 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -82.15 -17.2 47.19 Favored 'General case' 0 C--N 1.347 0.472 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.023 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -91.44 -24.49 19.69 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 113.471 -1.695 . . . . 0.0 107.627 176.051 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -89.15 -15.53 33.59 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 113.573 -1.649 . . . . 0.0 107.722 176.625 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.95 -21.62 19.69 Favored 'General case' 0 CA--C 1.509 -0.635 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 176.208 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.83 -35.78 23.98 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 112.697 -2.047 . . . . 0.0 106.232 175.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 tp -76.97 -29.05 55.36 Favored 'General case' 0 C--O 1.207 -1.18 0 CA-C-N 111.849 -2.432 . . . . 0.0 107.974 175.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.58 -20.39 36.6 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 176.9 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -89.11 -32.43 17.52 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 112.855 -1.975 . . . . 0.0 107.834 176.339 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -84.76 -20.0 31.76 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.723 176.856 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.89 -59.94 4.31 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.13 178.266 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -90.25 -42.33 11.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.623 179.452 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.214 0 C-N-CA 124.348 1.059 . . . . 0.0 112.213 -179.932 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.28 0 CA-C-O 121.067 0.46 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -92.57 -34.58 13.97 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.168 -1.378 . . . . 0.0 107.33 179.176 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.57 -24.04 34.16 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 113.015 -1.902 . . . . 0.0 108.302 177.115 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -89.07 -17.29 29.6 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.874 177.65 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -24.72 22.61 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 176.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.44 -19.1 21.59 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 112.302 -2.226 . . . . 0.0 107.226 177.252 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.05 -21.3 21.31 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 175.913 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.59 -29.76 17.62 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 113.067 -1.878 . . . . 0.0 106.122 176.169 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -81.93 -19.11 41.42 Favored 'General case' 0 CA--C 1.509 -0.609 0 O-C-N 125.33 1.644 . . . . 0.0 106.825 176.649 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.5 -34.94 27.79 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 105.397 -2.075 . . . . 0.0 105.397 175.041 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 12.8 t-105 -79.25 -19.93 49.43 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 111.767 -2.47 . . . . 0.0 108.905 176.916 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.64 -19.04 24.1 Favored 'General case' 0 CA--C 1.495 -1.159 0 N-CA-C 105.468 -2.049 . . . . 0.0 105.468 174.84 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.59 -33.2 23.42 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 111.317 -2.674 . . . . 0.0 106.943 175.643 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -80.88 -27.1 36.44 Favored 'General case' 0 CA--C 1.487 -1.463 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 176.772 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.39 -17.52 39.08 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 111.72 -2.491 . . . . 0.0 107.027 174.891 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.01 -27.89 19.45 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 175.174 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.32 -29.04 28.62 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 176.185 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.6 -19.5 35.4 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 112.29 -2.232 . . . . 0.0 109.078 175.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -31.64 19.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 104.352 -2.462 . . . . 0.0 104.352 175.765 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.24 -44.62 62.61 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 112.739 -2.028 . . . . 0.0 106.373 174.406 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.85 -13.58 62.09 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 112.529 -2.123 . . . . 0.0 110.686 177.036 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.21 -27.89 32.3 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 124.514 1.126 . . . . 0.0 109.138 178.425 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 tt -78.73 -41.26 31.32 Favored 'General case' 0 CA--C 1.516 -0.327 0 C-N-CA 126.494 1.918 . . . . 0.0 108.377 179.75 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -74.32 -22.25 59.34 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 112.549 -2.114 . . . . 0.0 107.011 175.653 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -83.28 -35.5 25.24 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 112.831 -1.986 . . . . 0.0 107.911 174.477 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.39 -35.6 71.11 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 174.928 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.51 -0.566 0 CA-C-N 112.106 -2.316 . . . . 0.0 109.878 176.437 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 CA--C 1.538 0.495 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.25 -15.75 14.41 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.9 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.5 mt -97.05 -69.9 0.74 Allowed 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.335 0.654 . . . . 0.0 111.847 -178.698 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -61.41 -12.73 15.59 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.16 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -95.98 -41.9 8.54 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.301 1.04 . . . . 0.0 109.674 178.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -75.89 -12.69 60.2 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.931 177.752 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.53 -45.71 7.63 Favored 'General case' 0 CA--C 1.497 -1.067 0 C-N-CA 125.956 1.703 . . . . 0.0 106.861 178.399 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.29 -16.71 63.85 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 113.619 -1.628 . . . . 0.0 110.097 176.495 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.82 -27.05 15.95 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.554 177.604 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -88.33 -12.99 41.86 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.908 179.315 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -94.95 -32.23 13.28 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 126.205 1.802 . . . . 0.0 106.708 178.507 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -30.39 36.16 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 112.658 -2.064 . . . . 0.0 107.277 175.859 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -88.29 -14.47 38.24 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.906 176.675 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.04 -29.07 22.21 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 124.43 1.092 . . . . 0.0 110.98 179.641 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -18.69 31.06 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 112.959 -1.928 . . . . 0.0 106.553 177.795 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.59 -21.52 18.19 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 112.656 -2.066 . . . . 0.0 108.118 177.941 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.79 -42.52 10.06 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 177.003 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -72.73 -27.41 62.03 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.044 -1.435 . . . . 0.0 109.637 176.81 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -79.99 -18.99 48.85 Favored 'General case' 0 C--N 1.345 0.378 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 174.036 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -93.24 -25.93 17.58 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 113.457 -1.701 . . . . 0.0 108.855 177.016 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -88.42 -16.36 33.06 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 114.341 -1.299 . . . . 0.0 108.576 177.744 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.94 -21.22 19.93 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 176.048 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.03 -37.16 22.49 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-N 112.913 -1.949 . . . . 0.0 106.645 176.212 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 6.8 tp -78.24 -28.11 47.77 Favored 'General case' 0 C--O 1.204 -1.306 0 CA-C-N 111.963 -2.381 . . . . 0.0 108.32 176.586 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.45 -20.44 34.06 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 177.314 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.1 -31.66 17.91 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 112.97 -1.923 . . . . 0.0 107.938 176.218 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -87.01 -19.44 28.68 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.222 177.007 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mt -59.45 -60.61 3.58 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.453 178.731 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -43.06 9.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.851 179.462 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.18 0 C-N-CA 124.379 1.071 . . . . 0.0 112.204 -179.913 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 21.8 ptt? . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 120.805 0.336 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -119.03 0.36 11.28 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 122.984 0.514 . . . . 0.0 110.985 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.09 -42.14 10.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.843 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 tt -95.63 -61.15 1.51 Allowed 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.03 -1.441 . . . . 0.0 109.555 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -31.14 66.77 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 113.455 -1.702 . . . . 0.0 112.489 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -92.4 -12.35 32.45 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 124.224 0.953 . . . . 0.0 110.342 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.88 -21.77 22.36 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 175.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tt -90.41 -35.72 15.0 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 111.376 -2.647 . . . . 0.0 106.926 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.5 -20.33 51.04 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 113.337 -1.756 . . . . 0.0 107.814 176.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.38 -29.14 19.3 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 176.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -81.03 -20.15 42.3 Favored 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 125.522 1.764 . . . . 0.0 106.997 176.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.89 -34.72 26.62 Favored 'General case' 0 N--CA 1.421 -1.888 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 175.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -79.16 -19.27 51.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 111.724 -2.489 . . . . 0.0 108.764 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.65 -19.04 24.09 Favored 'General case' 0 CA--C 1.495 -1.144 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.08 -32.38 22.86 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 111.177 -2.738 . . . . 0.0 106.984 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -82.69 -26.23 32.24 Favored 'General case' 0 CA--C 1.49 -1.36 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.36 -16.25 40.51 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 111.773 -2.467 . . . . 0.0 107.003 174.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.06 -26.77 21.22 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.42 -30.14 22.32 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 113.579 -1.646 . . . . 0.0 106.618 176.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.2 -18.66 38.51 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 112.573 -2.103 . . . . 0.0 108.856 175.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.48 -31.14 20.14 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 104.402 -2.444 . . . . 0.0 104.402 175.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tt -73.79 -42.41 61.03 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 112.563 -2.108 . . . . 0.0 106.149 174.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.12 -13.2 60.79 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 113.409 -1.723 . . . . 0.0 110.484 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.87 -27.07 44.02 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.607 1.163 . . . . 0.0 109.373 178.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 tt -76.56 -45.89 28.58 Favored 'General case' 0 C--O 1.212 -0.888 0 C-N-CA 126.039 1.736 . . . . 0.0 106.952 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.93 -21.35 62.37 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 112.992 -1.913 . . . . 0.0 107.351 174.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -78.27 -25.6 46.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 113.651 -1.613 . . . . 0.0 106.647 173.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.58 -36.31 12.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 113.916 -1.493 . . . . 0.0 108.954 175.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.58 -55.25 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 113.778 -1.555 . . . . 0.0 113.936 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.77 -44.08 13.65 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -176.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.23 -4.87 31.99 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -85.67 -42.49 14.24 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.263 0.225 . . . . 0.0 111.273 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -113.05 128.63 56.55 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.416 0.448 . . . . 0.0 110.767 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 84.9 m -128.62 -51.69 1.26 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.197 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 tp -148.91 -42.47 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 O-C-N 123.275 0.36 . . . . 0.0 111.178 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 82.7 m -133.18 152.02 51.95 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.307 0.379 . . . . 0.0 111.078 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -100.04 141.82 32.35 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 pp -108.48 157.53 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.274 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -94.84 123.03 38.06 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -132.8 153.29 51.4 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.595 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.4 m -97.01 126.8 42.4 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 40.2 p -129.64 151.46 50.22 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.074 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -96.47 -39.61 9.49 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.266 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -97.26 150.07 21.34 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.449 0.468 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.52 113.37 63.32 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.263 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -67.64 163.36 35.4 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.536 2.157 . . . . 0.0 112.736 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 16.1 mt -101.51 -65.07 1.0 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 41.53 92.64 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.715 1.206 . . . . 0.0 112.767 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 71.5 p -142.06 -158.96 0.91 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.114 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -97.62 -39.17 9.23 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.001 0.52 . . . . 0.0 110.485 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -76.82 -7.89 56.3 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.075 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.1 -24.28 11.63 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.825 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.35 -70.01 0.74 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.735 0.814 . . . . 0.0 111.832 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -61.47 -15.46 37.85 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 113.683 -1.599 . . . . 0.0 112.235 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -95.45 -38.13 10.6 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 124.392 1.077 . . . . 0.0 109.925 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -74.52 -12.78 60.56 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 122.013 0.911 . . . . 0.0 109.534 176.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.79 -43.34 8.66 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-N 113.032 -1.895 . . . . 0.0 106.666 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.15 -15.95 63.53 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 113.038 -1.892 . . . . 0.0 110.273 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.35 -26.78 15.76 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.665 1.186 . . . . 0.0 107.919 177.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.5 -45.1 32.36 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 113.791 -1.549 . . . . 0.0 109.198 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.56 -30.9 69.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 113.26 -1.791 . . . . 0.0 108.005 176.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -76.56 -28.53 56.31 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -76.5 -28.65 56.52 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 113.526 -1.67 . . . . 0.0 108.995 175.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mp -69.56 -49.57 53.05 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-O 123.166 1.46 . . . . 0.0 108.864 176.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.89 -25.95 0.88 Allowed 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 113.499 -1.682 . . . . 0.0 108.504 176.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.69 -37.76 8.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 112.154 -2.294 . . . . 0.0 112.241 176.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.68 -47.07 11.6 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 124.138 0.975 . . . . 0.0 109.74 -177.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -67.08 -31.23 71.58 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.071 176.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -81.26 -15.93 54.12 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 174.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.12 -23.73 19.34 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 114.254 -1.339 . . . . 0.0 107.524 175.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -88.91 -16.64 31.37 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 113.651 -1.613 . . . . 0.0 107.806 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.16 -22.06 19.29 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 176.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.6 -36.12 24.16 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-N 113.021 -1.899 . . . . 0.0 106.409 176.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 11.6 tp -76.42 -29.8 57.18 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 111.849 -2.432 . . . . 0.0 108.171 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.14 -19.95 35.69 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 177.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -87.99 -31.63 19.25 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 112.939 -1.937 . . . . 0.0 107.359 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -85.66 -16.52 38.85 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.43 -1.259 . . . . 0.0 109.649 176.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.92 -60.05 3.99 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.137 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -83.65 -44.4 14.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.617 -1.174 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.284 -179.763 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.13 0.491 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -119.19 -2.68 10.66 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.576 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.05 -44.7 8.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.304 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -96.37 -51.67 4.28 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.37 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -31.65 72.74 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 113.84 -1.527 . . . . 0.0 112.206 -178.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -93.0 -11.33 33.42 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.323 1.014 . . . . 0.0 110.071 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.11 -24.55 22.22 Favored 'General case' 0 C--O 1.227 -0.081 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 175.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -93.75 -20.17 20.37 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 112.037 -2.347 . . . . 0.0 107.157 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.07 -19.92 22.63 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 106.576 -1.638 . . . . 0.0 106.576 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.75 -29.49 18.67 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 113.061 -1.881 . . . . 0.0 106.008 175.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -81.81 -19.56 40.91 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 125.534 1.771 . . . . 0.0 106.798 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.66 -34.09 27.57 Favored 'General case' 0 N--CA 1.422 -1.847 0 N-CA-C 105.17 -2.159 . . . . 0.0 105.17 175.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -79.38 -18.93 51.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 111.601 -2.545 . . . . 0.0 108.729 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.05 -19.48 24.32 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.94 -31.82 23.4 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 111.09 -2.777 . . . . 0.0 107.016 175.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -82.89 -25.89 32.05 Favored 'General case' 0 CA--C 1.489 -1.389 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 176.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.73 -17.16 39.22 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 111.827 -2.442 . . . . 0.0 106.907 174.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -88.4 -27.42 21.59 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 174.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.65 -31.1 24.36 Favored 'General case' 0 CA--C 1.498 -1.039 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 176.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.55 -17.32 48.83 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 112.508 -2.133 . . . . 0.0 108.97 175.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.23 -29.42 20.46 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 104.465 -2.42 . . . . 0.0 104.465 175.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 tt -78.11 -40.55 37.95 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 112.416 -2.175 . . . . 0.0 106.715 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.52 -12.46 59.96 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 113.262 -1.79 . . . . 0.0 110.224 177.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -30.3 69.21 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 124.534 1.134 . . . . 0.0 109.342 178.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mp -71.96 -52.18 18.41 Favored 'General case' 0 C--O 1.2 -1.551 0 CA-C-N 113.746 -1.57 . . . . 0.0 107.762 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.96 -18.9 65.66 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 113.136 -1.847 . . . . 0.0 108.02 175.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -84.26 -26.89 28.29 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 113.11 -1.859 . . . . 0.0 107.301 173.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.82 -38.59 10.68 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.151 -1.386 . . . . 0.0 109.19 175.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.47 -52.33 6.6 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 113.645 -1.616 . . . . 0.0 113.239 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.23 -43.43 12.97 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 -177.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.68 -42.33 34.93 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -91.35 -35.15 14.58 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.051 0.219 . . . . 0.0 111.388 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 64.27 129.8 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.922 0.889 . . . . 0.0 112.345 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 79.0 m -132.63 150.9 52.09 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.619 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.5 pp -127.57 -49.97 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.972 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 57.6 m -136.32 -44.76 0.62 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.182 0.301 . . . . 0.0 111.539 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -97.19 138.83 34.08 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.315 0.384 . . . . 0.0 111.185 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 pp -140.76 111.33 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.195 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -133.26 117.54 17.5 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.709 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -138.73 -43.35 0.48 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.2 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 49.4 t -119.46 -37.97 3.08 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 123.421 0.451 . . . . 0.0 111.331 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 50.9 m -92.38 155.53 17.83 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.388 0.43 . . . . 0.0 111.179 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -126.09 -38.82 2.13 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.891 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 63.9 mtt -105.5 -52.3 2.85 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.247 0.342 . . . . 0.0 111.845 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.12 103.55 12.78 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.89 154.06 33.51 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.581 2.187 . . . . 0.0 112.507 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 15.9 mt -95.55 -14.63 23.45 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.605 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -106.39 128.26 53.9 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.682 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 61.0 p -106.44 -119.77 0.24 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.294 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -97.66 -45.86 6.22 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.371 0.268 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -92.31 -9.84 40.52 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.13 -6.99 7.5 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 10.1 mt -95.11 -68.52 0.8 Allowed 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 124.263 1.025 . . . . 0.0 110.394 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -56.77 -14.86 3.73 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.915 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -95.66 -40.16 9.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 124.618 1.167 . . . . 0.0 109.294 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -75.82 -12.53 60.19 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 122.03 0.919 . . . . 0.0 109.709 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.29 -43.98 8.54 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 113.084 -1.871 . . . . 0.0 106.922 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.99 -16.33 64.0 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 113.298 -1.774 . . . . 0.0 109.967 176.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.09 -25.82 16.29 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 177.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 61.6 tp -77.56 -40.04 43.76 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 113.812 -1.54 . . . . 0.0 110.091 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -73.05 -31.24 64.29 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 111.851 -2.431 . . . . 0.0 108.047 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -78.92 -31.64 45.32 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 113.208 -1.815 . . . . 0.0 106.508 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -82.0 -14.72 55.58 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 113.764 -1.562 . . . . 0.0 109.606 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 tp -82.86 -33.69 26.99 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 124.877 1.271 . . . . 0.0 110.708 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -18.52 40.02 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 112.374 -2.194 . . . . 0.0 106.731 177.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.6 -20.34 19.68 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 112.36 -2.2 . . . . 0.0 106.555 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.98 -40.82 15.44 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 112.923 -1.944 . . . . 0.0 105.987 175.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -74.84 -29.49 61.06 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 113.384 -1.734 . . . . 0.0 108.235 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -78.29 -26.17 46.93 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 174.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.95 -20.14 29.39 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 125.132 1.52 . . . . 0.0 107.944 176.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -87.27 -13.97 42.26 Favored 'General case' 0 C--N 1.343 0.323 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.16 -25.05 18.02 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 112.619 -2.082 . . . . 0.0 106.74 176.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -85.57 -29.42 24.15 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.1 tp -80.77 -29.85 36.13 Favored 'General case' 0 C--O 1.206 -1.221 0 CA-C-N 111.875 -2.42 . . . . 0.0 107.903 176.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.3 -20.28 37.77 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -89.08 -31.4 18.05 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 112.887 -1.961 . . . . 0.0 107.985 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -87.61 -19.13 28.2 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.972 176.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mt -56.88 -60.23 3.88 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.428 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -88.87 -42.37 11.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.539 -1.21 . . . . 0.0 111.607 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.236 0 C-N-CA 124.302 1.041 . . . . 0.0 112.334 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.144 0.497 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -122.88 0.67 9.23 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.108 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.83 -44.82 8.73 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.831 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 tt -95.48 -57.45 2.39 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 125.175 1.39 . . . . 0.0 109.541 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -31.89 66.61 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 113.508 -1.678 . . . . 0.0 112.282 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -93.04 -11.56 32.76 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 124.282 0.989 . . . . 0.0 109.987 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.97 -23.56 21.5 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 175.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -93.65 -21.07 19.61 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 111.824 -2.443 . . . . 0.0 107.145 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.09 -18.68 24.14 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 175.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -28.75 17.32 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 175.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -82.53 -17.67 44.18 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 125.526 1.766 . . . . 0.0 106.988 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.75 -31.35 26.03 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 174.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -82.47 -23.03 34.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 110.629 -2.987 . . . . 0.0 109.201 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -90.45 -20.31 22.9 Favored 'General case' 0 CA--C 1.494 -1.184 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 175.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 tp -79.4 -37.3 37.55 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 111.631 -2.531 . . . . 0.0 106.578 175.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -34.05 66.18 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 112.681 -2.054 . . . . 0.0 106.996 176.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.79 -15.7 53.37 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 111.709 -2.496 . . . . 0.0 107.718 175.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -88.67 -25.92 22.12 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 174.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.26 -30.07 22.62 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 113.471 -1.695 . . . . 0.0 106.66 176.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.41 -18.46 35.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 112.375 -2.193 . . . . 0.0 108.811 176.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.49 -30.97 20.23 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 104.408 -2.442 . . . . 0.0 104.408 175.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 tt -73.33 -41.79 63.07 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 112.589 -2.096 . . . . 0.0 106.065 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.65 -13.58 60.65 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 113.377 -1.738 . . . . 0.0 110.439 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.96 -27.33 43.49 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.437 1.095 . . . . 0.0 109.57 178.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.74 -35.23 60.27 Favored 'General case' 0 CA--C 1.498 -1.024 0 C-N-CA 125.756 1.623 . . . . 0.0 108.62 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -82.59 -20.23 36.86 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 111.645 -2.525 . . . . 0.0 106.56 175.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -81.69 -24.41 36.24 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 113.163 -1.835 . . . . 0.0 106.763 173.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.17 -35.82 12.95 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.034 -1.439 . . . . 0.0 108.516 175.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.71 -55.4 4.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 113.584 -1.643 . . . . 0.0 113.588 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.26 -44.48 12.11 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -176.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.48 -4.69 31.9 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 -75.8 -42.13 50.91 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.366 0.266 . . . . 0.0 111.684 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -119.66 134.64 55.15 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.421 0.451 . . . . 0.0 110.215 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 81.7 m -98.0 -57.77 2.14 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.482 0.489 . . . . 0.0 111.134 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -150.29 -57.37 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 O-C-N 123.221 0.326 . . . . 0.0 111.515 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 25.0 p -142.91 -21.19 0.65 Allowed 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.303 0.377 . . . . 0.0 111.856 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -86.74 139.22 30.95 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.239 0.337 . . . . 0.0 111.506 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 tp -124.01 -35.0 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 64.76 153.92 0.06 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.083 0.953 . . . . 0.0 112.209 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 65.0 152.43 0.05 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.121 0.968 . . . . 0.0 112.209 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 82.3 m -92.88 153.83 18.58 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.164 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 89.7 p 53.24 109.14 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.373 1.069 . . . . 0.0 112.619 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -121.11 -37.24 2.98 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.274 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 67.5 mtt 65.29 150.12 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.926 0.891 . . . . 0.0 112.075 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.66 109.95 44.23 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.303 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.38 161.7 36.83 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 122.585 2.19 . . . . 0.0 112.899 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 19.0 mt -90.61 -11.89 38.58 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.875 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -93.64 96.6 9.93 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.704 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 53.0 p -148.98 -67.22 0.22 Allowed 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.426 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -98.7 -70.11 0.74 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -87.26 -8.91 56.26 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.82 -19.16 13.51 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tt -96.7 -69.4 0.76 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.926 0.89 . . . . 0.0 110.894 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -60.29 -14.38 17.83 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 114.727 -1.124 . . . . 0.0 112.162 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -95.49 -39.01 10.19 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.387 1.075 . . . . 0.0 109.558 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -75.35 -12.69 60.32 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 122.0 0.905 . . . . 0.0 109.459 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 mp -93.29 -43.87 8.59 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 113.043 -1.89 . . . . 0.0 106.678 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.06 -19.29 65.92 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 113.1 -1.864 . . . . 0.0 109.845 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.08 -25.75 17.04 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.31 -1.314 . . . . 0.0 108.368 177.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -86.68 -11.39 51.39 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.424 -1.262 . . . . 0.0 109.464 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -95.16 -32.28 13.14 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 112.974 -1.921 . . . . 0.0 106.16 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -29.87 34.28 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 112.844 -1.98 . . . . 0.0 107.115 175.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -83.66 -13.52 53.99 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 114.251 -1.34 . . . . 0.0 109.254 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 tt -80.0 -38.0 33.03 Favored 'General case' 0 C--O 1.216 -0.69 0 C-N-CA 124.938 1.295 . . . . 0.0 109.919 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -71.59 -26.27 62.53 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 112.856 -1.974 . . . . 0.0 107.963 175.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.0 -21.72 24.67 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 110.049 -3.251 . . . . 0.0 108.024 178.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.84 -38.84 17.69 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 105.696 -1.964 . . . . 0.0 105.696 176.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -74.94 -30.07 61.13 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 112.819 -1.991 . . . . 0.0 108.393 177.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -77.86 -25.58 48.77 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -86.16 -21.89 27.31 Favored 'General case' 0 C--N 1.347 0.482 0 CA-C-N 113.766 -1.561 . . . . 0.0 108.104 176.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -86.3 -13.66 45.96 Favored 'General case' 0 C--N 1.34 0.184 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 175.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.02 -24.11 18.45 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 112.746 -2.024 . . . . 0.0 106.383 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -85.06 -30.39 24.14 Favored 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 tp -80.84 -29.02 35.92 Favored 'General case' 0 C--O 1.207 -1.144 0 CA-C-N 111.712 -2.495 . . . . 0.0 108.031 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.52 -20.24 37.12 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 176.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -88.86 -32.81 17.6 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 112.814 -1.994 . . . . 0.0 107.991 176.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 58.9 mttt -87.35 -16.54 34.73 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.538 -1.21 . . . . 0.0 110.13 176.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.83 -59.84 4.44 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.462 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -83.04 -41.23 18.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.592 -1.185 . . . . 0.0 112.095 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.324 -179.903 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 120.657 0.265 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -113.8 -2.48 13.66 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.027 0.531 . . . . 0.0 111.11 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.18 -40.29 11.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.116 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 tt -95.78 -62.09 1.35 Allowed 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.301 -1.318 . . . . 0.0 109.938 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -32.13 68.82 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 113.448 -1.706 . . . . 0.0 112.615 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -93.83 -11.41 31.26 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 124.153 0.908 . . . . 0.0 110.638 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -22.83 22.66 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 175.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -92.06 -30.93 15.76 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 111.584 -2.553 . . . . 0.0 106.874 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.52 -17.28 39.47 Favored 'General case' 0 CA--C 1.509 -0.615 0 O-C-N 125.04 1.463 . . . . 0.0 107.149 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -28.65 23.21 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 174.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -84.17 -18.93 35.07 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 112.921 -1.945 . . . . 0.0 107.542 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.28 -22.41 23.92 Favored 'General case' 0 CA--C 1.495 -1.149 0 N-CA-C 105.096 -2.187 . . . . 0.0 105.096 174.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -86.77 -25.02 24.87 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 110.954 -2.839 . . . . 0.0 108.683 176.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.65 -19.99 23.02 Favored 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -81.43 -33.89 31.84 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 111.772 -2.467 . . . . 0.0 106.568 175.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.81 -35.06 60.16 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 126.454 1.902 . . . . 0.0 106.623 177.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.14 -23.64 51.68 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-N 111.473 -2.603 . . . . 0.0 107.101 175.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.99 -22.94 28.92 Favored 'General case' 0 C--O 1.213 -0.844 0 O-C-N 124.987 1.429 . . . . 0.0 107.209 176.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -89.14 -19.55 25.36 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 174.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -14.03 35.28 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 112.18 -2.282 . . . . 0.0 108.343 174.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -97.38 -42.81 7.58 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.94 -51.38 8.12 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 111.781 -2.463 . . . . 0.0 113.076 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.57 -12.21 32.37 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -28.52 17.58 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 118.346 0.521 . . . . 0.0 109.836 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tt -75.36 -35.82 61.06 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 126.411 1.885 . . . . 0.0 107.608 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.41 -33.98 71.99 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 111.552 -2.567 . . . . 0.0 107.222 175.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -77.24 -34.43 55.86 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 111.84 -2.436 . . . . 0.0 108.734 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.4 -34.28 67.77 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 175.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.81 -48.8 62.67 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 112.178 -2.283 . . . . 0.0 109.779 176.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -39.45 89.35 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 113.445 -1.707 . . . . 0.0 111.986 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.95 -17.29 61.5 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.67 -1.15 . . . . 0.0 112.55 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -94.13 -47.82 6.49 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 123.288 0.368 . . . . 0.0 110.682 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 66.15 -66.18 0.17 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.36 1.064 . . . . 0.0 112.19 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 49.6 t -135.49 153.75 51.64 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 122.412 0.285 . . . . 0.0 110.883 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 pp -95.81 130.49 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.359 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 83.7 m -132.48 151.98 51.7 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.841 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -96.98 109.67 22.37 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.3 pp -149.59 -44.48 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.379 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -130.35 130.35 44.31 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.362 0.414 . . . . 0.0 110.584 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -126.99 128.31 46.17 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.972 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.0 m -130.41 -45.44 1.1 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.062 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 48.0 m -133.47 129.37 37.14 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.839 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -131.38 -41.19 1.1 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.612 0.57 . . . . 0.0 111.345 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.5 -1.27 51.04 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 123.392 0.433 . . . . 0.0 111.657 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.66 -46.82 0.48 Allowed Pre-proline 0 CA--C 1.545 0.78 0 CA-C-O 118.692 -0.671 . . . . 0.0 112.585 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -77.98 152.18 28.02 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.294 1.996 . . . . 0.0 112.822 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -122.74 -37.07 2.8 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.574 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -89.9 100.67 13.44 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.284 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 51.6 m -149.65 -59.88 0.21 Allowed 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.013 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -98.13 -70.64 0.72 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.115 0.784 . . . . 0.0 113.115 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -92.75 -45.51 8.0 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.04 -6.54 0.25 Allowed 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.8 mt -94.64 -68.39 0.8 Allowed 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.026 0.93 . . . . 0.0 109.864 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -59.83 -12.25 7.08 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 114.436 -1.256 . . . . 0.0 111.603 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -95.6 -41.3 8.99 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.689 1.196 . . . . 0.0 109.274 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -75.16 -12.63 60.34 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.865 0.841 . . . . 0.0 109.834 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -93.33 -44.17 8.43 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 113.291 -1.777 . . . . 0.0 106.812 178.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.57 -19.26 65.85 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 113.132 -1.849 . . . . 0.0 109.902 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.38 -25.99 17.45 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.352 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -86.16 -11.0 53.72 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.515 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -94.61 -29.43 14.86 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 113.279 -1.782 . . . . 0.0 106.623 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -29.21 23.88 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 112.427 -2.169 . . . . 0.0 107.223 175.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -89.0 -13.98 37.59 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 114.402 -1.272 . . . . 0.0 110.723 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 11.6 tp -82.53 -30.81 29.51 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 124.771 1.228 . . . . 0.0 111.396 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.43 -18.84 34.66 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 126.762 2.025 . . . . 0.0 106.686 177.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.34 -17.46 21.6 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 112.161 -2.291 . . . . 0.0 106.688 177.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.47 -43.05 9.93 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 176.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -74.43 -27.1 60.46 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 113.74 -1.573 . . . . 0.0 109.313 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -80.42 -19.35 46.4 Favored 'General case' 0 C--N 1.344 0.339 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 174.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -93.5 -26.08 17.32 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 113.479 -1.691 . . . . 0.0 109.072 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -88.41 -15.75 34.67 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 114.429 -1.259 . . . . 0.0 108.758 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.94 -21.12 19.99 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 175.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -36.95 21.42 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 112.747 -2.024 . . . . 0.0 106.75 176.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 8.7 tp -77.65 -28.57 51.32 Favored 'General case' 0 C--O 1.204 -1.324 0 CA-C-N 112.015 -2.357 . . . . 0.0 108.325 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.0 -21.48 33.88 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 106.576 -1.638 . . . . 0.0 106.576 177.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.5 -31.72 21.16 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 112.731 -2.031 . . . . 0.0 107.744 176.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -88.21 -16.36 33.49 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.115 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 61.6 tp -61.35 -59.7 4.87 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.371 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -88.11 -42.44 12.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.112 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.066 -0.969 . . . . 0.0 111.176 -179.701 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 111.271 0.1 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -82.68 -1.26 50.71 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 123.354 0.662 . . . . 0.0 111.678 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.41 -16.18 26.25 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.9 1.28 . . . . 0.0 109.551 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tt -92.09 -46.95 7.51 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 113.739 -1.573 . . . . 0.0 106.88 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.08 -25.93 65.58 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 112.983 -1.917 . . . . 0.0 108.982 176.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -89.45 -16.32 31.11 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 113.907 -1.497 . . . . 0.0 110.423 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -22.75 23.31 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -90.75 -31.13 16.66 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 111.867 -2.424 . . . . 0.0 106.946 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.93 -19.66 36.82 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 113.28 -1.782 . . . . 0.0 107.872 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.71 -22.41 19.42 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 176.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -86.09 -21.5 27.64 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 113.015 -1.902 . . . . 0.0 106.621 175.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.36 -34.9 21.7 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 113.241 -1.8 . . . . 0.0 106.849 176.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 7.4 t-105 -79.22 -19.84 49.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 111.519 -2.582 . . . . 0.0 107.949 176.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.46 -32.35 20.87 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 175.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.94 -31.54 64.67 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 111.529 -2.578 . . . . 0.0 106.968 176.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -32.89 39.45 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 112.997 -1.91 . . . . 0.0 107.656 177.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.08 -18.32 47.0 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 111.976 -2.374 . . . . 0.0 108.238 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.86 -38.31 19.63 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 176.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.96 -43.89 61.75 Favored 'General case' 0 C--O 1.204 -1.291 0 CA-C-N 111.813 -2.449 . . . . 0.0 106.086 174.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -65.97 -12.56 55.83 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.057 -1.428 . . . . 0.0 108.394 176.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.71 -35.08 10.68 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 174.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.72 -53.31 4.47 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 113.409 -1.723 . . . . 0.0 111.959 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.63 -13.39 56.58 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.17 -21.67 18.93 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.38 -35.45 73.52 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 126.329 1.852 . . . . 0.0 107.627 176.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.95 -23.98 52.38 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 112.003 -2.362 . . . . 0.0 107.207 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -83.98 -35.08 24.2 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 112.593 -2.094 . . . . 0.0 107.807 175.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.43 -33.09 62.87 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 106.098 -1.816 . . . . 0.0 106.098 175.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.69 -45.44 65.01 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 112.499 -2.137 . . . . 0.0 109.134 176.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.06 -38.69 92.18 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 114.781 -1.1 . . . . 0.0 111.759 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.8 -4.86 45.7 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 114.352 -1.295 . . . . 0.0 112.663 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 18.2 t-105 -83.04 -15.49 50.82 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.494 0.317 . . . . 0.0 111.539 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -97.32 -33.58 11.38 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.338 0.399 . . . . 0.0 111.321 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 48.9 t -92.78 159.38 15.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.019 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.0 mp 68.61 142.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 123.705 0.802 . . . . 0.0 110.796 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 84.6 m -93.21 -42.35 9.41 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.637 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -101.31 114.3 28.15 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 123.33 0.394 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 pp -147.41 134.41 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.172 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -109.32 124.04 50.29 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -133.95 -46.81 0.79 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.077 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 35.3 t -134.06 153.42 51.81 Favored 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.405 0.441 . . . . 0.0 110.813 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 16.0 t -97.32 -43.5 7.29 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.353 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -98.97 151.84 20.45 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.33 0.393 . . . . 0.0 111.021 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.23 115.91 28.17 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.146 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.32 158.05 64.79 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.25 -71.4 0.04 OUTLIER 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.522 2.148 . . . . 0.0 113.074 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 5.9 mt 65.08 -14.83 0.1 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.605 1.162 . . . . 0.0 113.743 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 55.64 149.03 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.536 1.534 . . . . 0.0 113.755 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 7.7 t -124.61 -17.62 5.91 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.474 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -97.87 -47.87 5.39 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -92.49 -8.44 44.58 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.076 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.31 -20.75 13.03 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -178.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tt -97.49 -69.61 0.75 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.246 0.618 . . . . 0.0 111.477 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -62.08 -14.56 37.54 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 114.58 -1.191 . . . . 0.0 112.39 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -95.77 -40.36 9.39 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.402 1.081 . . . . 0.0 109.707 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -75.53 -12.49 60.24 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-O 121.81 0.814 . . . . 0.0 109.812 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -93.23 -44.56 8.27 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 113.325 -1.762 . . . . 0.0 106.765 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.68 -18.59 65.44 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 113.368 -1.742 . . . . 0.0 110.044 176.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.66 -25.31 17.54 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 114.439 -1.255 . . . . 0.0 108.225 177.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -87.26 -14.06 42.03 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.12 -1.4 . . . . 0.0 109.668 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -94.98 -32.6 13.1 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 126.329 1.852 . . . . 0.0 106.482 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -29.73 42.17 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 112.547 -2.115 . . . . 0.0 107.033 175.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -85.65 -14.49 45.37 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.064 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.09 -17.21 28.13 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 124.557 1.143 . . . . 0.0 109.644 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.23 -19.89 18.97 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 126.233 1.813 . . . . 0.0 106.175 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.28 -27.87 15.27 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 112.115 -2.311 . . . . 0.0 108.33 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.67 -41.97 12.99 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -66.12 -30.58 71.1 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.374 175.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -77.09 -27.83 54.3 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 174.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.92 -20.14 29.45 Favored 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 125.015 1.447 . . . . 0.0 108.266 177.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -86.63 -13.7 44.86 Favored 'General case' 0 C--N 1.346 0.427 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 174.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.11 -24.75 18.17 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 112.674 -2.057 . . . . 0.0 106.538 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -85.71 -29.84 23.61 Favored 'General case' 0 CA--C 1.497 -1.079 0 N-CA-C 106.206 -1.776 . . . . 0.0 106.206 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.7 tp -80.86 -29.27 35.82 Favored 'General case' 0 C--O 1.205 -1.277 0 CA-C-N 111.948 -2.387 . . . . 0.0 108.01 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.77 -20.41 35.93 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 176.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -89.21 -31.38 17.94 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 112.796 -2.002 . . . . 0.0 107.988 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -87.95 -18.84 28.21 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.105 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -56.51 -59.95 4.24 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.46 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -81.78 -41.36 21.27 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.461 -1.245 . . . . 0.0 112.113 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.285 -179.873 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 111.352 0.13 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -80.04 -2.05 42.51 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.559 0.744 . . . . 0.0 111.855 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.08 -18.32 23.75 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.992 1.317 . . . . 0.0 109.62 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -92.5 -36.71 12.92 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 113.796 -1.547 . . . . 0.0 107.552 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.26 -23.61 47.23 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 113.2 -1.818 . . . . 0.0 108.024 176.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -88.53 -17.71 29.67 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 113.329 -1.76 . . . . 0.0 109.579 177.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.08 -24.08 22.37 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 106.514 -1.662 . . . . 0.0 106.514 177.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.55 -18.67 21.99 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 112.333 -2.212 . . . . 0.0 107.013 177.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.06 -20.99 21.46 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.61 -29.77 17.59 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 112.976 -1.92 . . . . 0.0 106.092 176.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -82.47 -18.68 40.84 Favored 'General case' 0 CA--C 1.508 -0.658 0 O-C-N 125.398 1.686 . . . . 0.0 106.807 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.23 -34.19 28.97 Favored 'General case' 0 N--CA 1.423 -1.785 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 174.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -79.52 -19.64 49.11 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 111.485 -2.598 . . . . 0.0 108.814 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.53 -18.87 24.51 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 174.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.92 -32.22 23.22 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-N 111.233 -2.712 . . . . 0.0 106.939 175.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -82.2 -26.59 33.2 Favored 'General case' 0 CA--C 1.49 -1.363 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.83 -16.89 39.84 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 111.753 -2.476 . . . . 0.0 106.973 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.53 -26.47 20.86 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.56 -29.95 23.75 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 106.444 -1.687 . . . . 0.0 106.444 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.61 -19.01 39.21 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 112.447 -2.16 . . . . 0.0 108.944 175.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.14 -30.12 20.05 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 104.475 -2.417 . . . . 0.0 104.475 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 tt -75.06 -42.99 55.86 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 112.599 -2.091 . . . . 0.0 105.979 174.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.16 -12.88 61.38 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 113.518 -1.674 . . . . 0.0 110.343 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.66 -27.88 40.83 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 124.518 1.127 . . . . 0.0 109.234 178.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.69 -32.32 46.97 Favored 'General case' 0 CA--C 1.5 -0.949 0 C-N-CA 125.756 1.623 . . . . 0.0 109.183 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -84.36 -18.9 34.65 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 111.587 -2.551 . . . . 0.0 106.351 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -85.05 -26.19 27.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 112.738 -2.028 . . . . 0.0 107.188 173.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.08 -31.55 17.09 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 114.461 -1.245 . . . . 0.0 107.799 175.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.37 -54.94 4.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 113.344 -1.753 . . . . 0.0 113.007 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.04 -46.26 8.61 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -176.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.39 -4.96 24.95 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -90.95 -29.08 17.64 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.245 0.218 . . . . 0.0 111.32 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -85.94 2.77 44.84 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.427 0.454 . . . . 0.0 111.898 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 49.6 t -90.74 153.72 20.06 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.986 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 tp -92.22 132.18 37.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.013 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 83.7 m -130.01 151.0 51.04 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -98.65 -35.51 10.16 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.679 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 tp -90.07 -39.82 12.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 O-C-N 123.345 0.403 . . . . 0.0 111.584 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -104.34 146.11 29.28 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.312 0.383 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -133.17 -47.65 0.84 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.206 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 82.4 m -133.95 149.18 51.25 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 51.7 m -124.15 -42.68 2.12 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -114.17 155.5 25.97 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.453 0.47 . . . . 0.0 110.534 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -93.47 -47.98 6.6 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.353 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.26 89.78 26.98 Favored Pre-proline 0 CA--C 1.544 0.725 0 O-C-N 123.319 0.387 . . . . 0.0 111.046 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.5 151.83 29.41 Favored 'Trans proline' 0 C--N 1.372 1.797 0 C-N-CA 122.701 2.267 . . . . 0.0 112.644 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 25.6 mt -117.63 -17.78 9.86 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.768 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -80.48 119.2 22.84 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.473 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 23.2 t -139.8 -116.04 0.14 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.43 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -98.22 -47.81 5.32 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.551 0.34 . . . . 0.0 111.201 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -87.39 -8.91 56.04 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.829 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.3 -7.08 20.26 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.1 tt -95.41 -68.57 0.79 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.184 0.994 . . . . 0.0 110.271 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -59.57 -12.98 7.55 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.586 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -95.83 -40.01 9.54 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.743 1.217 . . . . 0.0 109.48 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -75.5 -12.77 60.3 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 122.041 0.924 . . . . 0.0 109.804 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -93.44 -44.16 8.39 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 113.143 -1.844 . . . . 0.0 106.802 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.79 -16.66 64.22 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 113.204 -1.816 . . . . 0.0 110.026 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.76 -26.41 16.27 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.573 -1.194 . . . . 0.0 108.084 177.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -81.38 -28.49 34.38 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 114.139 -1.392 . . . . 0.0 109.661 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -82.88 -29.84 29.02 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 126.158 1.783 . . . . 0.0 106.837 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -27.81 45.3 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 112.717 -2.038 . . . . 0.0 105.905 174.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -77.2 -28.51 53.93 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 113.54 -1.664 . . . . 0.0 109.181 175.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -44.82 89.85 Favored 'General case' 0 C--O 1.203 -1.391 0 CA-C-O 123.524 1.63 . . . . 0.0 109.414 176.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -21.28 63.99 Favored 'General case' 0 C--N 1.29 -2.003 0 CA-C-N 112.668 -2.06 . . . . 0.0 107.896 176.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.65 -38.3 8.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 113.082 -1.872 . . . . 0.0 112.247 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.83 -40.88 14.5 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.078 0.951 . . . . 0.0 110.285 -176.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -76.18 -24.35 54.74 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 114.296 -1.32 . . . . 0.0 107.771 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -83.93 -18.07 38.59 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 173.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -90.15 -23.95 21.2 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 113.622 -1.626 . . . . 0.0 107.665 175.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -89.5 -16.15 31.4 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 113.697 -1.592 . . . . 0.0 107.672 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.04 -21.57 19.65 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.52 -35.8 24.55 Favored 'General case' 0 N--CA 1.428 -1.54 0 CA-C-N 112.97 -1.923 . . . . 0.0 106.353 175.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.4 tp -76.65 -29.45 56.41 Favored 'General case' 0 C--O 1.208 -1.094 0 CA-C-N 111.758 -2.474 . . . . 0.0 108.036 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.39 -19.76 35.45 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 177.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -88.09 -32.62 18.62 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 112.893 -1.958 . . . . 0.0 107.58 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -86.32 -15.97 38.93 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.623 176.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 39.7 tp -57.12 -59.36 5.2 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.02 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -84.11 -41.28 17.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.757 -1.11 . . . . 0.0 112.009 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.278 -179.832 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 120.998 0.427 . . . . 0.0 111.435 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.1 -3.25 12.08 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.146 0.578 . . . . 0.0 111.586 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.77 -42.64 10.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.113 -177.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -95.72 -61.14 1.51 Allowed 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.248 -1.342 . . . . 0.0 109.822 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -31.88 67.26 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 113.62 -1.627 . . . . 0.0 112.435 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -92.19 -11.87 34.33 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.096 0.872 . . . . 0.0 110.305 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.42 -20.86 23.42 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 175.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -89.9 -36.72 14.88 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 111.241 -2.709 . . . . 0.0 106.545 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.81 -19.53 51.91 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 113.139 -1.846 . . . . 0.0 107.794 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.87 -28.84 18.97 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 175.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -80.24 -21.23 43.03 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 125.407 1.692 . . . . 0.0 106.761 176.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.6 -35.25 27.25 Favored 'General case' 0 N--CA 1.42 -1.929 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 175.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -78.87 -18.83 53.28 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 111.717 -2.492 . . . . 0.0 108.724 176.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -92.53 -16.47 25.69 Favored 'General case' 0 CA--C 1.495 -1.159 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 174.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -88.9 -24.46 22.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 111.368 -2.651 . . . . 0.0 106.957 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -91.28 -29.24 17.28 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 113.37 -1.741 . . . . 0.0 106.52 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.83 -19.03 31.27 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 111.99 -2.368 . . . . 0.0 107.982 175.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tt -86.0 -34.69 20.74 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 175.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.62 -39.04 70.72 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 112.363 -2.198 . . . . 0.0 107.772 175.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -78.86 -17.26 55.92 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 112.558 -2.11 . . . . 0.0 109.276 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.38 -31.78 19.93 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 175.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.13 -44.09 55.06 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 112.545 -2.116 . . . . 0.0 106.589 174.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.21 -13.38 61.9 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 112.692 -2.049 . . . . 0.0 110.555 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.02 -26.11 36.66 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.766 1.227 . . . . 0.0 109.281 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 tt -80.92 -44.62 17.98 Favored 'General case' 0 C--O 1.209 -1.053 0 C-N-CA 126.09 1.756 . . . . 0.0 107.077 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.65 -24.07 63.57 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 125.398 1.686 . . . . 0.0 106.736 174.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -72.6 -26.78 61.82 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 113.505 -1.679 . . . . 0.0 106.544 173.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.28 -41.05 9.24 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 113.667 -1.606 . . . . 0.0 109.593 175.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.0 -55.36 4.43 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 113.97 -1.468 . . . . 0.0 114.093 -178.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -40.65 68.0 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -177.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.45 -4.76 38.58 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.561 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -84.04 -11.97 55.9 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.408 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 74.1 134.39 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.49 1.116 . . . . 0.0 111.591 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 82.6 m -91.92 -177.17 4.65 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.333 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 pt 45.25 98.85 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 124.789 1.235 . . . . 0.0 113.495 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 93.5 m -132.47 147.18 52.36 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.607 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -99.59 -39.22 8.41 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.759 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 pt -94.11 -47.78 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 63.03 126.97 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.826 0.85 . . . . 0.0 112.134 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -134.43 127.77 32.19 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.845 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 24.9 p -131.83 127.36 36.44 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.883 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 15.8 t -131.19 128.17 39.44 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -132.6 127.54 35.21 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.62 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 65.9 mtt -132.82 -42.3 0.91 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.371 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.24 -46.15 0.08 OUTLIER Pre-proline 0 CA--C 1.543 0.707 0 CA-C-O 118.674 -0.679 . . . . 0.0 112.616 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -76.89 151.89 31.66 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 122.238 1.959 . . . . 0.0 113.028 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 33.7 mt -108.54 -11.2 15.16 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.773 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -75.33 112.98 12.19 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.66 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 60.4 m -136.58 -111.03 0.19 Allowed 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.166 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -98.25 -49.44 4.7 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.608 0.242 . . . . 0.0 111.476 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -85.1 -8.1 58.8 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.011 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.01 -7.64 16.1 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -96.56 -69.15 0.77 Allowed 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.156 0.582 . . . . 0.0 112.168 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.06 -13.2 59.59 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.047 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -95.34 -37.44 10.97 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.358 1.063 . . . . 0.0 109.22 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 mmtt -76.21 -12.75 60.15 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 121.883 0.849 . . . . 0.0 109.132 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 9.1 tp -93.1 -40.27 10.6 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 113.203 -1.817 . . . . 0.0 106.787 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.78 -17.68 63.43 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 113.854 -1.521 . . . . 0.0 109.556 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.9 -25.2 16.67 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 114.096 -1.411 . . . . 0.0 108.266 177.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -87.11 -12.29 47.55 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.334 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -94.74 -32.59 13.26 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 126.045 1.738 . . . . 0.0 106.821 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -26.65 31.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 112.866 -1.97 . . . . 0.0 107.503 176.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -92.38 -13.9 29.45 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.006 176.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 6.7 tp -81.06 -40.77 23.66 Favored 'General case' 0 C--O 1.208 -1.091 0 C-N-CA 125.14 1.376 . . . . 0.0 111.418 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -17.02 55.12 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 111.691 -2.504 . . . . 0.0 107.779 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.29 -25.23 16.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 112.685 -2.052 . . . . 0.0 107.923 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.15 -42.09 12.57 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 113.729 -1.578 . . . . 0.0 106.99 177.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -71.06 -29.13 64.94 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 113.776 -1.557 . . . . 0.0 108.837 177.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.9 -28.09 55.2 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 174.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -86.22 -22.42 26.92 Favored 'General case' 0 CA--C 1.513 -0.449 0 O-C-N 125.119 1.512 . . . . 0.0 108.536 177.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -86.72 -13.62 44.84 Favored 'General case' 0 C--N 1.341 0.212 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.97 -24.96 18.21 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 112.87 -1.968 . . . . 0.0 106.557 176.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -85.9 -29.28 23.78 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 175.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.6 tp -80.82 -31.0 35.74 Favored 'General case' 0 C--O 1.208 -1.13 0 CA-C-N 111.849 -2.432 . . . . 0.0 107.949 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.68 -20.35 36.32 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 177.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -87.39 -31.78 19.92 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 113.058 -1.883 . . . . 0.0 107.55 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -86.18 -16.43 37.83 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.609 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 49.2 tp -58.73 -59.37 5.52 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.077 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -87.0 -41.87 13.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.806 -1.088 . . . . 0.0 112.076 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.283 -179.66 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 61.7 mtt . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 120.869 0.366 . . . . 0.0 111.493 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -115.87 -3.24 12.2 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 123.111 0.564 . . . . 0.0 111.51 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.16 -41.48 10.43 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.209 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tt -95.69 -61.01 1.53 Allowed 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.768 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -32.25 68.31 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 113.521 -1.672 . . . . 0.0 112.565 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -93.75 -11.46 31.34 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.254 0.971 . . . . 0.0 110.627 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.72 -23.12 23.03 Favored 'General case' 0 C--O 1.228 -0.077 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 175.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tp -91.77 -31.26 15.83 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 111.852 -2.431 . . . . 0.0 107.171 177.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.85 -19.6 40.69 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 113.7 -1.591 . . . . 0.0 107.556 176.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -29.82 17.45 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 176.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -82.05 -17.6 46.11 Favored 'General case' 0 CA--C 1.511 -0.55 0 O-C-N 125.415 1.697 . . . . 0.0 107.241 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.56 -31.83 24.15 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 175.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 14.2 t-105 -80.96 -24.0 38.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 110.901 -2.863 . . . . 0.0 109.012 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -91.88 -18.99 22.97 Favored 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -81.86 -33.34 30.65 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 111.675 -2.511 . . . . 0.0 106.277 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.2 -34.06 56.19 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-N 112.815 -1.993 . . . . 0.0 106.793 177.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.94 -15.55 53.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 111.698 -2.501 . . . . 0.0 107.508 175.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.39 -25.83 21.35 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 174.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.55 -30.3 22.0 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 113.575 -1.648 . . . . 0.0 106.794 176.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.17 -19.4 34.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 112.404 -2.18 . . . . 0.0 108.959 176.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.71 -31.4 19.72 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 104.459 -2.423 . . . . 0.0 104.459 175.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.15 -43.78 64.12 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 112.64 -2.073 . . . . 0.0 106.006 174.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.44 -16.02 62.37 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 113.568 -1.651 . . . . 0.0 110.529 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.47 -27.5 41.57 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 124.503 1.121 . . . . 0.0 109.552 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -76.06 -42.67 46.78 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 125.999 1.72 . . . . 0.0 108.182 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.09 -22.87 61.29 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 112.506 -2.134 . . . . 0.0 107.669 176.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -84.37 -34.92 23.51 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 113.06 -1.882 . . . . 0.0 107.698 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.79 -37.07 65.08 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 175.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.47 -42.25 78.99 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 112.692 -2.049 . . . . 0.0 109.674 176.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.14 -67.73 0.29 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 114.44 -1.254 . . . . 0.0 112.119 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.79 -28.4 63.98 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 112.614 -2.085 . . . . 0.0 113.437 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -94.09 -12.59 28.17 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.313 0.383 . . . . 0.0 111.97 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 19.0 m120 68.52 154.22 0.11 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.12 0.968 . . . . 0.0 111.753 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 49.6 t -89.51 158.6 17.61 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.383 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 tp 50.65 115.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 124.954 1.302 . . . . 0.0 113.22 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 82.7 m -131.09 144.54 51.49 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.671 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -112.36 -43.71 3.48 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.406 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -114.16 128.82 70.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 O-C-N 123.325 0.391 . . . . 0.0 110.438 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -124.46 146.62 48.83 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.848 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -129.24 116.55 19.32 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.789 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 42.6 t 59.17 116.06 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.997 0.919 . . . . 0.0 112.18 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 48.8 m -130.04 121.08 25.76 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -139.17 -40.4 0.47 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 23.1 mmt -99.21 -38.19 8.99 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.461 0.475 . . . . 0.0 111.612 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.27 155.43 42.65 Favored Pre-proline 0 CA--C 1.54 0.578 0 O-C-N 123.233 0.333 . . . . 0.0 111.496 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.04 158.67 27.07 Favored 'Trans proline' 0 C--N 1.375 1.934 0 C-N-CA 122.638 2.225 . . . . 0.0 112.909 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 23.1 mt -96.21 -11.36 26.19 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.79 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -87.99 -50.44 6.42 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.483 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 60.6 p 67.0 -33.97 0.22 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.792 1.237 . . . . 0.0 113.541 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -97.82 -45.67 6.24 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.511 0.324 . . . . 0.0 111.523 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -89.8 -8.9 51.05 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.601 0.563 . . . . 0.0 111.946 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.55 -14.08 17.61 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -97.07 -68.59 0.79 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.182 0.993 . . . . 0.0 111.006 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -55.47 -15.5 2.8 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 114.022 -1.444 . . . . 0.0 111.986 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -95.87 -40.27 9.4 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.583 1.153 . . . . 0.0 109.365 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -75.78 -12.32 60.16 Favored 'General case' 0 N--CA 1.486 1.325 0 CA-C-O 121.944 0.878 . . . . 0.0 109.874 177.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.33 -45.65 7.72 Favored 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 126.376 1.87 . . . . 0.0 106.772 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.65 -14.85 63.29 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 113.278 -1.783 . . . . 0.0 110.463 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.13 -27.75 15.41 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.517 1.127 . . . . 0.0 108.24 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 tp -81.08 -32.83 33.75 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.004 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -78.72 -30.24 45.81 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 126.676 1.99 . . . . 0.0 107.72 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -31.83 43.9 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 113.083 -1.871 . . . . 0.0 106.763 175.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -86.23 -14.96 42.32 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 113.929 -1.487 . . . . 0.0 110.804 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 tp -87.18 -29.89 21.42 Favored 'General case' 0 C--O 1.216 -0.68 0 C-N-CA 124.189 0.996 . . . . 0.0 110.73 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.42 -19.05 34.11 Favored 'General case' 0 C--N 1.309 -1.171 0 C-N-CA 126.767 2.027 . . . . 0.0 106.657 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.26 -16.28 22.58 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 112.529 -2.123 . . . . 0.0 106.692 177.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.83 -42.47 9.51 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 112.946 -1.934 . . . . 0.0 105.903 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -77.02 -27.0 54.4 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 113.518 -1.673 . . . . 0.0 109.499 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -80.47 -18.4 48.78 Favored 'General case' 0 C--N 1.345 0.395 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 174.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -93.43 -25.86 17.47 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 113.442 -1.708 . . . . 0.0 108.806 176.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.07 -16.44 31.57 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 114.317 -1.31 . . . . 0.0 108.64 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.96 -21.17 19.94 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 105.804 -1.924 . . . . 0.0 105.804 176.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.87 -37.36 22.52 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-N 112.932 -1.94 . . . . 0.0 106.58 176.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 7.2 tp -78.07 -27.64 48.62 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-N 112.091 -2.322 . . . . 0.0 108.337 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.36 -20.7 33.79 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 177.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -89.12 -31.7 17.87 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 112.94 -1.936 . . . . 0.0 108.092 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -87.11 -19.48 28.47 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.134 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -58.29 -60.34 3.93 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.465 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -93.48 -42.35 9.3 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.601 -1.182 . . . . 0.0 111.66 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.178 0 C-N-CA 124.345 1.058 . . . . 0.0 112.299 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.485 0.183 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 55.04 -7.24 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.386 1.474 . . . . 0.0 114.499 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.94 -41.02 9.82 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.965 0.888 . . . . 0.0 110.207 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 10.3 mp -94.22 -52.4 4.38 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 112.868 -1.969 . . . . 0.0 108.976 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.36 -30.48 64.88 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 113.517 -1.674 . . . . 0.0 111.047 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -87.43 -23.31 24.54 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 114.569 -1.196 . . . . 0.0 109.988 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -19.19 37.18 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tt -89.03 -34.35 16.84 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 111.145 -2.752 . . . . 0.0 105.892 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.05 -22.85 48.49 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 112.839 -1.982 . . . . 0.0 108.447 176.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -84.85 -37.73 20.33 Favored 'General case' 0 CA--C 1.49 -1.348 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -73.09 -20.23 60.99 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 111.536 -2.575 . . . . 0.0 108.418 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.63 -31.72 24.07 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 175.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -80.23 -23.44 40.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 110.951 -2.84 . . . . 0.0 108.845 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -92.2 -17.59 24.64 Favored 'General case' 0 CA--C 1.497 -1.093 0 N-CA-C 106.233 -1.766 . . . . 0.0 106.233 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -83.12 -31.16 27.38 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 111.671 -2.513 . . . . 0.0 106.018 174.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.99 -34.5 32.94 Favored 'General case' 0 N--CA 1.433 -1.318 0 CA-C-N 112.835 -1.984 . . . . 0.0 107.353 177.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.07 -17.24 47.32 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 111.986 -2.37 . . . . 0.0 107.896 175.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 tp -83.34 -37.53 23.25 Favored 'General case' 0 CA--C 1.495 -1.154 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.27 -40.15 59.08 Favored 'General case' 0 C--O 1.205 -1.237 0 CA-C-N 111.713 -2.494 . . . . 0.0 106.504 175.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -12.16 61.35 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 113.642 -1.617 . . . . 0.0 108.345 176.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.63 -34.5 10.92 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 174.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.88 -53.23 4.48 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 113.297 -1.774 . . . . 0.0 112.532 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.77 -12.6 41.68 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -176.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.45 -26.05 24.89 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tt -70.55 -46.89 62.7 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 113.663 -1.608 . . . . 0.0 107.235 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -25.55 64.44 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 125.522 1.764 . . . . 0.0 107.166 174.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -76.41 -24.14 54.04 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.331 -1.758 . . . . 0.0 107.055 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.1 -40.36 9.66 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 114.121 -1.399 . . . . 0.0 109.227 175.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.53 -55.53 4.25 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 113.699 -1.591 . . . . 0.0 114.057 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -43.63 52.85 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -176.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.89 -26.79 68.47 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -94.07 -38.6 11.04 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.218 0.324 . . . . 0.0 111.253 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 21.1 m120 66.77 -68.83 0.14 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.381 1.072 . . . . 0.0 112.325 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 86.1 m -144.83 156.32 43.96 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.506 0.322 . . . . 0.0 111.101 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 pp -97.2 156.12 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.23 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -115.44 -44.88 2.95 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.574 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -110.15 123.61 50.04 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.312 0.382 . . . . 0.0 111.259 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 tp -147.03 126.86 4.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.363 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -128.68 -44.67 1.34 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.214 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -120.43 139.77 52.35 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.379 0.425 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.2 m -129.21 129.11 44.61 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 53.6 m -102.72 154.59 19.01 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.82 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -99.51 107.49 19.69 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.64 -40.15 0.34 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.122 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.02 160.02 41.41 Favored Pre-proline 0 CA--C 1.542 0.663 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.276 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -58.21 169.77 2.7 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 122.59 2.193 . . . . 0.0 113.175 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 14.4 mt -84.61 -11.1 56.64 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.234 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -90.3 -54.63 3.93 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.805 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 53.7 m 68.15 -34.55 0.26 Allowed 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.396 1.079 . . . . 0.0 113.385 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -98.0 -45.07 6.4 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.207 0.317 . . . . 0.0 111.351 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -88.58 -8.64 54.39 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.531 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.5 -8.36 17.1 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 tt -96.77 -69.16 0.77 Allowed 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.792 0.837 . . . . 0.0 110.635 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.73 -13.01 12.3 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 114.343 -1.299 . . . . 0.0 112.039 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -95.85 -41.34 8.87 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.513 1.125 . . . . 0.0 109.503 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -75.57 -12.58 60.25 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.907 177.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.43 -44.43 8.26 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 113.456 -1.702 . . . . 0.0 106.732 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.91 -19.8 66.12 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 113.248 -1.796 . . . . 0.0 110.006 176.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.01 -25.63 17.88 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.286 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.55 -14.89 41.6 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.857 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -95.05 -30.57 14.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 113.256 -1.793 . . . . 0.0 106.29 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -30.62 41.1 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 112.621 -2.081 . . . . 0.0 106.541 175.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -81.98 -13.85 56.84 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 113.945 -1.48 . . . . 0.0 109.351 175.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -87.92 -19.72 26.92 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 125.012 1.325 . . . . 0.0 109.736 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.52 -19.41 19.84 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 105.971 -1.863 . . . . 0.0 105.971 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.29 -25.85 16.17 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 112.117 -2.31 . . . . 0.0 108.223 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.43 -40.42 13.51 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -68.79 -29.23 67.54 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 114.015 -1.448 . . . . 0.0 108.762 175.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -81.49 -17.7 47.71 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 174.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -91.38 -23.95 19.91 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 113.765 -1.562 . . . . 0.0 107.704 176.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -87.76 -16.18 34.92 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 113.658 -1.61 . . . . 0.0 107.555 176.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.02 -21.84 19.51 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 176.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -35.8 22.86 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 112.875 -1.966 . . . . 0.0 106.387 175.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 tp -76.01 -30.01 58.36 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-N 111.93 -2.395 . . . . 0.0 107.921 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.58 -19.68 35.12 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.74 -32.47 19.13 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 112.741 -2.027 . . . . 0.0 107.484 176.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -86.17 -17.15 35.65 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.287 -1.324 . . . . 0.0 109.613 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 54.4 tp -57.12 -59.18 5.47 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.86 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -86.73 -42.04 13.67 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.639 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.23 0 C-N-CA 124.441 1.097 . . . . 0.0 112.212 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 120.736 0.303 . . . . 0.0 111.518 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -113.04 -2.78 14.13 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.321 0.581 . . . . 0.0 111.245 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.29 -39.82 11.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.509 -0.768 . . . . 0.0 112.078 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 tt -96.17 -61.83 1.38 Allowed 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 114.286 -1.324 . . . . 0.0 110.173 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -32.44 71.77 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 113.469 -1.696 . . . . 0.0 112.791 -178.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -93.72 -10.96 32.57 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 124.288 0.992 . . . . 0.0 110.543 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.1 -24.81 22.17 Favored 'General case' 0 C--O 1.225 -0.187 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 175.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.87 -21.72 19.08 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 112.125 -2.307 . . . . 0.0 107.508 177.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.88 -20.21 22.5 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.77 -30.34 17.08 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 113.283 -1.78 . . . . 0.0 106.248 175.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -80.68 -20.01 43.93 Favored 'General case' 0 CA--C 1.508 -0.655 0 O-C-N 125.268 1.605 . . . . 0.0 106.743 176.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.54 -36.29 26.47 Favored 'General case' 0 N--CA 1.422 -1.862 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 175.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -78.16 -19.55 53.75 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 111.805 -2.452 . . . . 0.0 108.844 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -92.48 -15.84 26.57 Favored 'General case' 0 CA--C 1.494 -1.194 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 174.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -89.94 -24.71 21.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 111.352 -2.658 . . . . 0.0 107.295 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -92.94 -28.73 16.27 Favored 'General case' 0 CA--C 1.496 -1.135 0 CA-C-N 113.389 -1.732 . . . . 0.0 106.617 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.0 -17.82 32.11 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 112.125 -2.307 . . . . 0.0 107.952 175.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 tt -85.61 -36.01 20.63 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 105.225 -2.139 . . . . 0.0 105.225 175.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -41.82 63.68 Favored 'General case' 0 N--CA 1.431 -1.399 0 CA-C-N 112.092 -2.322 . . . . 0.0 108.602 176.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -77.04 -15.68 59.52 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 113.334 -1.757 . . . . 0.0 109.499 176.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.91 -31.92 16.2 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 104.264 -2.495 . . . . 0.0 104.264 175.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 tt -74.69 -48.38 26.32 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 112.405 -2.18 . . . . 0.0 106.886 175.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.43 -13.13 62.0 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.365 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.23 -21.5 24.47 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.997 0.919 . . . . 0.0 109.469 178.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -84.57 -42.79 15.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 113.259 -1.791 . . . . 0.0 108.637 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.53 -27.29 55.91 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 112.702 -2.045 . . . . 0.0 108.434 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -86.43 -25.07 25.43 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 124.918 1.386 . . . . 0.0 107.689 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.41 -37.32 65.96 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 105.464 -2.05 . . . . 0.0 105.464 174.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.48 -45.44 38.4 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 111.455 -2.612 . . . . 0.0 110.935 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -46.41 55.08 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.76 -47.23 7.76 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -177.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -89.76 -28.21 19.52 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 63.38 152.82 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.825 0.85 . . . . 0.0 111.964 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 25.3 p -94.32 129.56 40.95 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.291 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.8 tp -101.59 156.09 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.471 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 83.5 m -94.06 -51.14 4.98 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.619 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -142.13 128.04 19.46 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.183 0.302 . . . . 0.0 111.276 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 tp -145.97 -49.44 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.512 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -137.53 -45.69 0.55 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.407 0.442 . . . . 0.0 110.786 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 41.8 t30 56.53 104.86 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.983 0.913 . . . . 0.0 112.004 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.8 m -138.1 115.21 10.93 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.669 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 52.7 m -137.88 -45.9 0.53 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.146 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 69.81 -56.89 0.56 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.338 1.055 . . . . 0.0 112.151 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 64.8 mtt -136.17 130.72 33.66 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.194 0.308 . . . . 0.0 110.648 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . 56.11 101.56 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.203 0 C-N-CA 123.854 0.862 . . . . 0.0 112.303 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -71.03 167.18 26.82 Favored 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 122.653 2.236 . . . . 0.0 112.744 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 20.2 mt -136.39 -47.82 0.64 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.39 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 61.09 136.33 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.885 1.274 . . . . 0.0 112.633 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 18.2 m -65.36 -6.65 10.66 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -97.52 -39.36 9.18 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.07 -8.47 45.77 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.153 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.31 -10.71 15.31 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.1 mt -97.06 -70.15 0.73 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.384 0.612 . . . . 0.0 112.082 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.98 -12.89 41.97 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.964 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -95.89 -38.71 10.15 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.364 1.066 . . . . 0.0 109.728 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -76.03 -12.58 60.15 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 121.975 0.893 . . . . 0.0 109.517 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.5 -43.73 8.58 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 113.125 -1.852 . . . . 0.0 106.735 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.88 -18.96 65.63 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 112.988 -1.915 . . . . 0.0 110.008 176.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.33 -24.26 18.18 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.263 177.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -86.11 -16.16 38.87 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 114.168 -1.378 . . . . 0.0 109.439 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -94.61 -29.18 14.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.491 -1.686 . . . . 0.0 107.119 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -29.64 25.74 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 112.885 -1.961 . . . . 0.0 107.239 175.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -84.91 -18.29 35.16 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.8 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tp -72.34 -38.07 68.71 Favored 'General case' 0 C--O 1.205 -1.277 0 CA-C-O 123.436 1.589 . . . . 0.0 110.222 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -19.51 61.06 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 111.528 -2.578 . . . . 0.0 107.515 177.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.11 -33.42 10.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 112.962 -1.927 . . . . 0.0 111.651 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.91 -40.63 11.61 Favored 'General case' 0 CA--C 1.51 -0.562 0 O-C-N 124.125 0.891 . . . . 0.0 109.815 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -78.91 -21.81 46.8 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 114.494 -1.23 . . . . 0.0 108.52 177.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -84.03 -17.83 39.08 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 173.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -92.0 -24.14 19.31 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 113.436 -1.711 . . . . 0.0 107.994 176.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -90.39 -15.08 31.69 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-N 114.01 -1.45 . . . . 0.0 107.798 176.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.99 -21.73 19.59 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 175.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -36.57 23.86 Favored 'General case' 0 N--CA 1.427 -1.604 0 CA-C-N 112.764 -2.016 . . . . 0.0 106.448 176.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 8.3 tp -77.83 -28.1 50.13 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-N 111.959 -2.382 . . . . 0.0 108.186 176.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.1 -20.25 35.21 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 176.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -89.03 -32.86 17.38 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 112.814 -1.994 . . . . 0.0 107.952 176.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -86.48 -17.52 34.0 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.026 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.01 -60.18 4.12 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.211 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -91.38 -42.38 10.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.615 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.168 0 C-N-CA 124.412 1.085 . . . . 0.0 112.245 -179.944 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 121.005 0.431 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -124.52 -7.5 7.48 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.15 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.11 -24.37 19.15 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.002 1.321 . . . . 0.0 110.944 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -86.63 -34.93 19.67 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.346 -1.297 . . . . 0.0 107.575 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.36 -23.6 43.25 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 113.054 -1.885 . . . . 0.0 108.019 176.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -89.75 -18.26 26.68 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 113.38 -1.736 . . . . 0.0 109.747 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -24.8 23.49 Favored 'General case' 0 C--O 1.226 -0.145 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 176.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.52 -19.58 21.08 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 112.388 -2.187 . . . . 0.0 107.187 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.86 -21.18 21.57 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 176.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -29.44 18.16 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 113.171 -1.831 . . . . 0.0 106.158 176.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -82.1 -18.8 41.73 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 125.327 1.642 . . . . 0.0 106.827 176.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.56 -32.71 23.67 Favored 'General case' 0 N--CA 1.429 -1.519 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 175.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -80.0 -24.24 40.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 111.219 -2.719 . . . . 0.0 109.179 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -91.02 -19.7 22.9 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 176.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -82.08 -33.98 29.56 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 111.702 -2.499 . . . . 0.0 106.413 175.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -33.83 58.2 Favored 'General case' 0 N--CA 1.435 -1.223 0 C-N-CA 126.425 1.89 . . . . 0.0 106.961 177.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.86 -16.18 51.6 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 111.775 -2.466 . . . . 0.0 107.641 175.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.4 -26.8 20.83 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.68 -30.94 21.32 Favored 'General case' 0 CA--C 1.499 -1.003 0 CA-C-N 113.558 -1.655 . . . . 0.0 106.886 176.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.14 -18.62 38.81 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 112.7 -2.046 . . . . 0.0 109.105 176.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.1 -31.4 19.24 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 175.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tt -73.98 -43.33 58.48 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 112.663 -2.062 . . . . 0.0 106.578 174.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.43 -12.81 60.6 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 113.481 -1.69 . . . . 0.0 110.534 177.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.59 -30.15 56.86 Favored 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 124.587 1.155 . . . . 0.0 109.791 178.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tt -77.88 -40.54 39.64 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 125.868 1.667 . . . . 0.0 108.777 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.44 -22.82 57.04 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 112.624 -2.08 . . . . 0.0 107.62 176.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -85.11 -34.71 22.13 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 113.215 -1.811 . . . . 0.0 107.827 174.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.12 -34.92 68.96 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 174.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.71 -47.11 56.19 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 112.155 -2.293 . . . . 0.0 109.806 176.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -41.19 96.25 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.855 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.8 -4.65 56.94 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.711 -1.131 . . . . 0.0 112.491 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 9.3 t-105 -85.0 -34.35 22.37 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 122.484 0.314 . . . . 0.0 111.833 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -90.54 113.11 25.03 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.859 0.361 . . . . 0.0 111.431 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 81.0 m -138.54 153.19 48.71 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.797 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 tp -94.0 116.61 35.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.722 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 82.7 m -137.32 156.65 47.99 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.93 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -92.37 -39.68 11.32 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.981 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 pp -98.67 156.49 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 123.427 0.454 . . . . 0.0 111.251 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -96.08 141.51 29.38 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -113.48 -44.12 3.25 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.258 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 25.2 p -105.74 122.44 46.09 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 123.39 0.431 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 52.8 m -135.79 151.55 50.2 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.04 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 18.6 m120 71.12 -47.69 0.66 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 124.525 1.13 . . . . 0.0 112.705 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -97.35 123.88 41.32 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 111.122 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.12 157.24 78.79 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.949 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -76.97 151.56 31.03 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.481 2.121 . . . . 0.0 112.848 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 25.5 mt -110.62 -16.4 13.64 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.708 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -87.52 91.61 8.8 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.829 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 67.6 m -156.41 -44.96 0.07 Allowed 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.347 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -98.52 -66.94 0.87 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -177.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -87.2 -8.52 56.78 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.34 -19.5 13.45 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 tt -97.38 -69.62 0.75 Allowed 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 123.517 0.727 . . . . 0.0 111.461 -178.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.54 -14.22 39.74 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 114.643 -1.162 . . . . 0.0 112.416 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -95.67 -40.36 9.43 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 124.381 1.073 . . . . 0.0 109.679 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -75.81 -12.33 60.15 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 121.846 0.831 . . . . 0.0 109.71 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -93.35 -44.52 8.25 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 113.317 -1.765 . . . . 0.0 106.736 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.42 -19.74 65.71 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 113.362 -1.745 . . . . 0.0 109.891 176.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.94 -25.85 17.84 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 114.241 -1.345 . . . . 0.0 108.261 177.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -87.5 -10.99 50.22 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.465 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -95.06 -33.23 12.77 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 113.128 -1.851 . . . . 0.0 106.396 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -30.23 35.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 112.41 -2.177 . . . . 0.0 107.25 175.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -84.29 -14.11 50.65 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.567 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 10.8 tp -84.34 -30.97 25.07 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 124.933 1.293 . . . . 0.0 110.537 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.27 -18.94 34.78 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 127.119 2.168 . . . . 0.0 106.66 177.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.88 -18.05 21.5 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 112.332 -2.213 . . . . 0.0 106.613 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.41 -41.23 12.22 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 112.749 -2.023 . . . . 0.0 105.63 176.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -74.46 -28.11 60.89 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 113.294 -1.775 . . . . 0.0 108.861 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -81.97 -17.32 47.37 Favored 'General case' 0 C--N 1.346 0.444 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 174.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -92.4 -24.44 18.87 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 113.663 -1.608 . . . . 0.0 107.935 176.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -89.53 -15.25 33.35 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 113.831 -1.531 . . . . 0.0 107.933 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.92 -21.95 19.51 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 175.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.89 -36.52 23.3 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-N 112.693 -2.049 . . . . 0.0 106.474 176.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.2 tp -77.27 -28.4 53.47 Favored 'General case' 0 C--O 1.206 -1.188 0 CA-C-N 111.937 -2.392 . . . . 0.0 108.086 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.1 -20.22 35.26 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -89.2 -32.02 17.64 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 112.82 -1.991 . . . . 0.0 107.836 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -86.25 -19.53 29.81 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.453 -1.248 . . . . 0.0 109.924 176.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mt -57.95 -60.3 3.92 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.405 178.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -93.04 -42.34 9.48 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.609 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.16 0 C-N-CA 124.375 1.07 . . . . 0.0 112.252 -179.927 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ttm . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.659 0.266 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -115.5 0.24 13.29 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.387 0.613 . . . . 0.0 110.512 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.16 -40.79 10.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.716 -178.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 7.5 tt -95.89 -62.28 1.31 Allowed 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.813 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -32.09 67.36 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 113.37 -1.741 . . . . 0.0 112.423 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -93.98 -11.0 31.8 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.236 0.96 . . . . 0.0 110.602 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.67 -24.07 22.85 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 175.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 tp -89.32 -36.09 15.74 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 111.52 -2.582 . . . . 0.0 106.937 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.02 -17.06 53.79 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 125.331 1.645 . . . . 0.0 107.67 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.15 -28.08 22.67 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 104.97 -2.233 . . . . 0.0 104.97 174.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -82.69 -21.43 34.88 Favored 'General case' 0 C--N 1.343 0.325 0 O-C-N 125.851 1.97 . . . . 0.0 107.334 176.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -85.8 -28.57 24.42 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 104.911 -2.255 . . . . 0.0 104.911 175.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -83.18 -18.93 37.63 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 111.729 -2.487 . . . . 0.0 108.679 176.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.36 -18.62 25.18 Favored 'General case' 0 CA--C 1.493 -1.235 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 174.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.63 -34.42 23.09 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 110.943 -2.844 . . . . 0.0 106.804 175.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -82.64 -26.9 31.76 Favored 'General case' 0 CA--C 1.492 -1.259 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.43 -17.92 37.65 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 112.183 -2.28 . . . . 0.0 107.323 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 tt -86.58 -38.5 17.08 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 113.664 -1.607 . . . . 0.0 106.772 176.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -78.08 -24.47 47.6 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 125.443 1.714 . . . . 0.0 107.454 175.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.81 -15.71 47.31 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 112.908 -1.951 . . . . 0.0 107.935 175.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.18 -29.63 12.73 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 113.335 -1.757 . . . . 0.0 107.471 175.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.18 -47.42 7.8 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 113.549 -1.66 . . . . 0.0 112.21 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.0 -12.08 31.56 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.808 1.411 . . . . 0.0 114.808 -177.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -94.4 -42.64 8.77 Favored 'General case' 0 C--O 1.198 -1.631 0 CA-C-N 118.307 0.503 . . . . 0.0 110.684 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -61.69 -35.48 78.14 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 125.743 1.902 . . . . 0.0 110.895 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -80.68 -26.64 37.43 Favored 'General case' 0 CA--C 1.495 -1.139 0 CA-C-N 112.069 -2.332 . . . . 0.0 107.846 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -83.09 -32.26 26.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 112.009 -2.36 . . . . 0.0 108.566 175.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.84 -32.8 59.95 Favored 'General case' 0 CA--C 1.496 -1.1 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -71.86 -46.47 57.82 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 112.284 -2.235 . . . . 0.0 109.182 176.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -39.86 95.84 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 114.771 -1.104 . . . . 0.0 112.032 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.07 -4.84 58.77 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.713 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -87.73 -42.78 12.38 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 122.177 0.191 . . . . 0.0 111.245 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -114.47 127.85 56.03 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.467 0.48 . . . . 0.0 110.739 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 25.5 p -111.36 -43.59 3.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.264 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.0 pp -140.95 134.75 32.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 O-C-N 123.36 0.412 . . . . 0.0 111.377 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 86.1 m -126.3 130.41 50.79 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -99.95 -47.31 5.06 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.172 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.1 -7.33 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -93.81 112.15 23.96 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.915 0.388 . . . . 0.0 111.083 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -140.65 -43.65 0.4 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.709 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 80.7 m -110.49 158.37 18.59 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 123.508 0.505 . . . . 0.0 111.04 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 13.4 t 64.03 125.89 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.932 0.893 . . . . 0.0 111.874 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -102.87 177.4 4.85 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -83.99 -46.73 11.73 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -128.87 -50.89 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.722 0 CA-C-O 118.707 -0.663 . . . . 0.0 112.631 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -75.19 153.35 40.82 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 122.176 1.917 . . . . 0.0 112.924 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 28.8 mt -108.89 -14.36 14.59 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.865 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -91.0 95.73 10.26 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.589 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 12.1 t -152.01 -63.6 0.17 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -98.46 -70.28 0.73 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -177.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -89.39 -8.94 52.06 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -177.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.98 -7.61 16.13 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.0 tt -96.04 -68.63 0.79 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.044 0.938 . . . . 0.0 110.08 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.13 -14.01 14.88 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 114.589 -1.187 . . . . 0.0 112.022 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -95.67 -39.07 10.08 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.547 1.139 . . . . 0.0 109.395 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -75.84 -12.73 60.22 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.938 0.875 . . . . 0.0 109.755 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.18 -44.02 8.55 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 113.118 -1.855 . . . . 0.0 106.835 178.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.02 -19.21 65.78 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 113.288 -1.778 . . . . 0.0 109.808 176.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.33 -26.41 17.3 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 114.382 -1.281 . . . . 0.0 108.385 177.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.67 -13.07 49.68 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.572 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -94.36 -29.14 15.16 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 178.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -81.79 -30.29 32.33 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 112.398 -2.183 . . . . 0.0 106.291 175.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -84.58 -13.86 50.49 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.656 175.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -87.77 -16.67 33.53 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 124.447 1.099 . . . . 0.0 109.622 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.63 -21.0 18.5 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 112.543 -2.117 . . . . 0.0 105.519 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.92 -20.28 19.54 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 111.954 -2.384 . . . . 0.0 107.161 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.47 -36.16 16.62 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 176.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -77.06 -28.04 54.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 112.891 -1.959 . . . . 0.0 108.216 176.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -83.33 -16.97 44.05 Favored 'General case' 0 C--N 1.346 0.446 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 174.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.11 -22.39 19.92 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-N 113.51 -1.677 . . . . 0.0 107.524 176.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -90.58 -15.82 29.87 Favored 'General case' 0 C--N 1.343 0.294 0 CA-C-N 113.784 -1.553 . . . . 0.0 107.511 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.91 -21.83 19.6 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.78 -36.59 23.46 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-N 112.722 -2.035 . . . . 0.0 106.225 175.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 tp -74.56 -31.54 62.12 Favored 'General case' 0 C--O 1.201 -1.48 0 CA-C-N 111.998 -2.365 . . . . 0.0 107.714 175.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.39 -20.98 42.78 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 177.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -89.18 -30.42 18.58 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 112.965 -1.925 . . . . 0.0 108.108 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -87.62 -21.5 25.29 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.903 177.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.23 -60.07 4.12 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 121.684 0.754 . . . . 0.0 111.921 178.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -86.69 -43.35 12.66 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 113.61 -1.632 . . . . 0.0 112.049 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.201 0 C-N-CA 124.249 1.02 . . . . 0.0 112.297 -179.843 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 121.066 0.46 . . . . 0.0 111.305 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -118.32 -2.94 11.03 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.162 0.585 . . . . 0.0 111.5 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.72 -43.71 9.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.175 -177.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tt -95.58 -58.45 2.11 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 125.122 1.369 . . . . 0.0 110.18 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -32.51 69.6 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 113.567 -1.651 . . . . 0.0 112.42 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -93.53 -11.05 32.81 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 124.115 0.885 . . . . 0.0 110.365 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.77 -23.13 22.97 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 175.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.98 -31.51 17.19 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 111.448 -2.614 . . . . 0.0 106.693 177.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.39 -16.61 42.14 Favored 'General case' 0 CA--C 1.511 -0.52 0 O-C-N 125.187 1.554 . . . . 0.0 106.863 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.82 -28.91 22.64 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 104.602 -2.369 . . . . 0.0 104.602 174.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -83.97 -18.79 36.07 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 112.915 -1.948 . . . . 0.0 107.589 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.25 -22.1 24.13 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 104.91 -2.255 . . . . 0.0 104.91 174.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -87.23 -22.95 24.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 110.699 -2.955 . . . . 0.0 108.374 176.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -93.05 -16.79 24.61 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 175.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.44 -25.49 26.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 111.601 -2.545 . . . . 0.0 106.272 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.06 -35.13 18.9 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 112.31 -2.223 . . . . 0.0 107.137 177.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.6 -16.92 46.62 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 112.14 -2.3 . . . . 0.0 108.176 176.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 tt -85.6 -36.04 20.63 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 105.269 -2.123 . . . . 0.0 105.269 174.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.14 -39.34 72.02 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-N 111.853 -2.43 . . . . 0.0 107.789 175.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.3 -16.03 57.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 112.496 -2.138 . . . . 0.0 109.283 176.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.2 -32.23 19.91 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 104.364 -2.458 . . . . 0.0 104.364 175.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.32 -41.86 55.85 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 112.531 -2.122 . . . . 0.0 107.156 174.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.72 -12.49 60.2 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 112.309 -2.223 . . . . 0.0 110.444 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -30.92 62.52 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 124.716 1.206 . . . . 0.0 109.263 178.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mp -73.86 -49.68 23.89 Favored 'General case' 0 C--O 1.202 -1.439 0 CA-C-N 113.625 -1.625 . . . . 0.0 107.322 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -21.06 66.17 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 125.92 2.012 . . . . 0.0 107.85 175.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -79.89 -27.4 40.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 113.548 -1.66 . . . . 0.0 107.039 173.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.5 -37.24 11.49 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 113.949 -1.478 . . . . 0.0 109.115 175.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.27 -55.04 4.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 113.319 -1.764 . . . . 0.0 113.207 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.77 -46.71 9.22 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -177.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.21 -40.42 71.16 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 -85.16 -32.66 22.6 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -124.28 134.81 53.11 Favored 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.387 0.43 . . . . 0.0 110.681 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 79.1 m -124.33 -46.95 1.89 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.5 0.5 . . . . 0.0 111.33 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.4 pt -101.44 -46.71 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 123.364 0.415 . . . . 0.0 111.3 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 80.6 m -126.3 143.91 50.99 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.58 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -98.73 139.01 35.07 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.492 0.495 . . . . 0.0 111.09 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 pt -116.6 161.85 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.347 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -91.49 128.84 37.47 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -114.67 151.43 33.61 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.602 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 49.7 t -101.63 126.89 48.55 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.006 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 52.9 m -131.81 -41.69 1.03 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.074 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -98.1 167.17 11.05 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 123.488 0.492 . . . . 0.0 110.746 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 65.6 mtt -79.84 114.67 18.93 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.905 0.384 . . . . 0.0 111.174 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . 52.94 64.58 6.99 Favored Pre-proline 0 N--CA 1.483 1.223 0 C-N-CA 124.043 0.937 . . . . 0.0 112.385 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -81.45 152.52 17.83 Favored 'Trans proline' 0 C--N 1.37 1.702 0 C-N-CA 122.929 2.42 . . . . 0.0 113.008 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 34.1 mt -120.48 -14.13 8.72 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.486 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -111.66 152.22 27.95 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.004 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 33.6 m -130.44 -37.49 1.4 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.072 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -97.86 -39.46 8.99 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.491 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -80.03 -7.72 58.99 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.641 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.5 -13.66 24.34 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.53 -69.43 0.76 Allowed 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.873 0.844 . . . . 0.0 111.616 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -58.64 -16.73 17.45 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 113.528 -1.669 . . . . 0.0 112.299 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -95.5 -36.52 11.27 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 124.195 0.998 . . . . 0.0 109.447 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -74.53 -12.85 60.58 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 122.214 1.007 . . . . 0.0 109.357 176.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mp -93.68 -43.89 8.43 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 112.866 -1.97 . . . . 0.0 106.731 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.71 -15.0 62.66 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 112.992 -1.913 . . . . 0.0 110.233 176.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.3 -26.87 16.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 177.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 49.1 tp -74.16 -44.17 54.53 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 113.591 -1.64 . . . . 0.0 109.278 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -70.55 -28.88 65.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 112.545 -2.116 . . . . 0.0 108.188 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -79.47 -29.05 41.54 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 174.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -76.33 -27.88 56.69 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 113.422 -1.717 . . . . 0.0 108.866 175.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mp -62.44 -47.7 82.91 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-O 123.539 1.638 . . . . 0.0 108.396 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -25.17 5.69 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 113.118 -1.855 . . . . 0.0 108.285 176.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.53 -35.56 9.11 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 112.61 -2.086 . . . . 0.0 112.44 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.24 -46.69 9.49 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 124.268 1.027 . . . . 0.0 109.886 -177.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -71.47 -25.28 62.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.119 -1.4 . . . . 0.0 108.279 176.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -84.18 -17.04 41.25 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 174.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.2 -23.06 19.49 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 113.635 -1.621 . . . . 0.0 107.455 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -89.89 -16.16 30.62 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 113.714 -1.585 . . . . 0.0 107.648 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.0 -21.33 19.82 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 106.109 -1.812 . . . . 0.0 106.109 176.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.18 -35.63 23.41 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 112.968 -1.924 . . . . 0.0 106.405 176.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.3 tp -76.76 -30.69 56.66 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 111.62 -2.536 . . . . 0.0 107.926 176.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.77 -20.2 36.32 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 177.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -85.85 -30.59 22.82 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 112.847 -1.979 . . . . 0.0 107.046 175.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -85.76 -18.1 33.96 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.029 -1.441 . . . . 0.0 109.576 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 10.2 tt -74.05 -60.34 2.31 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.658 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -76.05 -55.6 5.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.392 -1.276 . . . . 0.0 111.154 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.22 0 CA-C-N 114.628 -1.169 . . . . 0.0 112.322 179.819 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 120.975 0.417 . . . . 0.0 111.435 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -120.35 1.55 10.73 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.184 0.516 . . . . 0.0 111.018 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.72 -43.75 9.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.719 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -96.95 -53.78 3.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.275 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -32.57 74.36 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 113.616 -1.629 . . . . 0.0 112.712 -178.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -93.49 -10.84 33.57 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.233 0.958 . . . . 0.0 110.174 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.95 -23.18 22.74 Favored 'General case' 0 C--N 1.34 0.182 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 175.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp -91.8 -31.16 15.85 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 111.799 -2.455 . . . . 0.0 107.227 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.75 -20.01 36.77 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 113.515 -1.675 . . . . 0.0 107.542 176.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -29.4 18.52 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 175.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -80.63 -20.5 43.03 Favored 'General case' 0 CA--C 1.511 -0.541 0 O-C-N 125.439 1.712 . . . . 0.0 106.795 176.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.9 -35.41 26.16 Favored 'General case' 0 N--CA 1.42 -1.942 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 175.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -78.18 -19.39 54.01 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 111.804 -2.453 . . . . 0.0 108.689 176.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -92.2 -16.82 25.71 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -88.95 -23.9 22.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 111.315 -2.675 . . . . 0.0 107.201 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -91.07 -28.92 17.63 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 113.344 -1.753 . . . . 0.0 106.312 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.69 -19.43 30.88 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 111.995 -2.366 . . . . 0.0 107.858 175.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.51 -33.66 21.75 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 175.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.55 -39.06 65.0 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-N 112.466 -2.152 . . . . 0.0 107.915 175.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -77.41 -17.01 58.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 112.68 -2.054 . . . . 0.0 108.932 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.67 -31.14 18.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 104.602 -2.369 . . . . 0.0 104.602 175.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 tt -75.89 -41.12 52.97 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 112.541 -2.118 . . . . 0.0 106.574 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.74 -12.79 60.04 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 113.345 -1.752 . . . . 0.0 110.369 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.77 -28.87 61.89 Favored 'General case' 0 C--O 1.215 -0.738 0 C-N-CA 124.744 1.218 . . . . 0.0 110.167 178.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -29.29 33.0 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 125.426 1.49 . . . . 0.0 109.294 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -85.6 -21.14 28.62 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 111.904 -2.407 . . . . 0.0 106.589 177.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -88.36 -30.98 19.13 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 112.928 -1.942 . . . . 0.0 107.87 174.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.19 -31.1 60.86 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 174.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tt -77.72 -49.8 13.7 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 111.753 -2.476 . . . . 0.0 111.59 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.7 -53.86 4.23 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -177.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.13 -31.18 64.14 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -177.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -94.07 -73.35 0.57 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 117.53 0.15 . . . . 0.0 111.378 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -151.68 140.3 20.72 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.443 0.297 . . . . 0.0 111.076 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 49.1 t -96.82 -44.04 7.24 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.904 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 tp -137.88 116.03 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 O-C-N 123.46 0.475 . . . . 0.0 110.355 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 24.8 p -133.68 148.14 51.46 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.148 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -129.42 147.67 51.26 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.721 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.75 113.9 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.211 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -125.45 -43.24 1.92 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.201 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -107.59 -44.66 4.22 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.338 0.399 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.3 m -99.25 126.32 45.04 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 123.335 0.397 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 53.0 m -131.64 130.56 42.26 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.019 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -124.49 124.06 41.47 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.709 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 20.1 ptt? -127.28 105.4 8.52 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.453 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.98 -52.76 0.02 OUTLIER Pre-proline 0 CA--C 1.544 0.745 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.351 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -84.23 165.08 12.95 Favored 'Trans proline' 0 C--N 1.38 2.204 0 C-N-CA 122.449 2.099 . . . . 0.0 112.648 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 6.1 mp -82.65 -13.02 57.19 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.809 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -85.17 122.1 28.88 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.95 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 21.4 t -134.92 -94.11 0.28 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -98.12 -69.51 0.76 Allowed 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -92.71 -19.3 21.96 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.54 -7.13 0.37 Allowed 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.92 -69.35 0.76 Allowed 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 123.627 0.771 . . . . 0.0 109.761 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -56.77 -14.23 3.19 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 113.743 -1.572 . . . . 0.0 111.926 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -95.97 -42.02 8.49 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.812 1.245 . . . . 0.0 109.344 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -76.69 -12.3 59.98 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.159 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -92.78 -44.16 8.66 Favored 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 126.026 1.73 . . . . 0.0 106.937 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.85 -16.57 63.81 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 113.529 -1.669 . . . . 0.0 109.981 176.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.9 -25.99 16.34 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 114.568 -1.196 . . . . 0.0 107.81 177.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 tt -77.52 -41.38 39.42 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 113.916 -1.493 . . . . 0.0 109.112 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -70.19 -29.15 65.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 112.787 -2.006 . . . . 0.0 108.522 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -83.49 -29.78 27.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 113.266 -1.788 . . . . 0.0 107.199 175.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -84.45 -14.55 48.93 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.219 -1.355 . . . . 0.0 110.694 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.19 -24.0 28.08 Favored 'General case' 0 C--O 1.222 -0.349 0 C-N-CA 124.276 1.03 . . . . 0.0 110.612 178.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.83 -18.74 25.67 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 112.617 -2.083 . . . . 0.0 105.865 177.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.89 -25.3 16.63 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 111.924 -2.398 . . . . 0.0 107.611 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -40.43 18.1 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 176.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -71.16 -27.69 63.72 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 113.554 -1.657 . . . . 0.0 108.508 175.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -82.47 -18.0 43.24 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 107.348 -1.352 . . . . 0.0 107.348 174.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -92.17 -25.17 18.82 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 113.649 -1.614 . . . . 0.0 108.058 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -87.85 -15.17 37.51 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 113.787 -1.551 . . . . 0.0 107.921 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.92 -22.09 19.43 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 176.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.37 -36.39 22.5 Favored 'General case' 0 N--CA 1.426 -1.638 0 CA-C-N 112.75 -2.023 . . . . 0.0 106.355 176.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.2 tp -76.93 -28.57 55.3 Favored 'General case' 0 C--O 1.204 -1.334 0 CA-C-N 112.025 -2.352 . . . . 0.0 108.081 176.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.86 -20.27 35.87 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 176.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.22 -32.33 17.48 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 112.876 -1.965 . . . . 0.0 107.944 176.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -87.39 -17.45 32.28 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.228 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 mt -58.53 -60.27 4.07 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.499 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.14 -42.13 39.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.644 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.135 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.197 -179.924 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.974 0.416 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -116.74 -2.83 11.8 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.135 0.574 . . . . 0.0 111.47 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.38 -43.37 9.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.414 -177.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -96.37 -51.7 4.26 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.536 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -31.53 71.91 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 113.934 -1.485 . . . . 0.0 112.399 -178.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -92.53 -11.8 33.55 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.286 0.991 . . . . 0.0 109.969 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.99 -24.36 22.41 Favored 'General case' 0 C--O 1.225 -0.185 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 175.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.64 -20.23 20.39 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 112.107 -2.315 . . . . 0.0 107.251 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.85 -19.53 22.42 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.48 -22.69 18.71 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 175.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -87.0 -21.47 26.12 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 113.162 -1.835 . . . . 0.0 106.308 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.76 -36.91 21.43 Favored 'General case' 0 N--CA 1.427 -1.593 0 CA-C-N 113.138 -1.846 . . . . 0.0 106.393 176.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -78.52 -16.78 57.09 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 112.445 -2.161 . . . . 0.0 108.386 176.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.46 -30.63 21.87 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 175.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 tt -77.21 -38.38 51.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 110.889 -2.869 . . . . 0.0 107.587 176.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -75.54 -27.79 58.8 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 113.362 -1.745 . . . . 0.0 106.831 176.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.2 -29.41 38.61 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 111.839 -2.437 . . . . 0.0 107.468 175.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 tp -77.76 -30.93 51.73 Favored 'General case' 0 CA--C 1.51 -0.564 0 O-C-N 125.211 1.569 . . . . 0.0 107.248 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -36.72 61.92 Favored 'General case' 0 N--CA 1.425 -1.681 0 CA-C-N 112.504 -2.134 . . . . 0.0 106.797 175.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -77.49 -18.92 56.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 112.241 -2.254 . . . . 0.0 109.356 175.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -84.16 -40.67 17.9 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 104.271 -2.492 . . . . 0.0 104.271 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 tt -65.29 -44.27 88.52 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 110.784 -2.917 . . . . 0.0 107.135 174.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.94 -14.08 60.99 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 113.935 -1.484 . . . . 0.0 110.807 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.87 -26.98 44.02 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.281 1.033 . . . . 0.0 109.436 178.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.84 -34.2 45.36 Favored 'General case' 0 CA--C 1.5 -0.958 0 C-N-CA 125.679 1.592 . . . . 0.0 108.802 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.26 -21.87 39.09 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 111.603 -2.544 . . . . 0.0 106.343 175.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -80.31 -26.43 38.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 112.989 -1.914 . . . . 0.0 106.928 173.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.59 -34.62 15.42 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.311 -1.313 . . . . 0.0 108.387 175.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.57 -56.18 4.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 113.54 -1.664 . . . . 0.0 112.872 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -85.92 -60.76 1.92 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 -177.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.59 -33.18 63.71 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.915 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -94.18 -25.55 17.05 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.544 0.527 . . . . 0.0 111.583 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 19.2 m120 63.56 16.04 9.32 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.92 0.888 . . . . 0.0 112.747 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 82.2 m -98.07 128.28 44.5 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.027 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.9 pp -102.68 -37.31 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.547 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 76.5 m -120.74 131.82 54.72 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.454 0.471 . . . . 0.0 110.61 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -96.86 136.24 37.7 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.365 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 pt -127.36 -45.52 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.393 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -108.01 151.23 26.11 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 123.503 0.502 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 63.44 126.3 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.936 0.894 . . . . 0.0 111.95 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 74.0 m -104.29 150.86 24.07 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.159 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 39.0 p -95.59 120.65 36.21 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 18.5 m120 65.4 -71.82 0.08 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.175 0.99 . . . . 0.0 111.933 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 22.7 mmt -143.55 -55.64 0.39 Allowed 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 122.574 0.349 . . . . 0.0 110.645 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.83 120.51 5.06 Favored Pre-proline 0 CA--C 1.539 0.534 0 O-C-N 123.427 0.454 . . . . 0.0 110.73 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -74.59 151.82 42.2 Favored 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 122.369 2.046 . . . . 0.0 112.556 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 21.8 mt -132.09 -35.59 1.2 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.627 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -83.73 122.21 28.33 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.761 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 52.6 m -134.95 -95.1 0.27 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.161 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -97.77 -59.19 1.82 Allowed 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -92.23 -33.7 14.57 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.273 0.358 . . . . 0.0 111.662 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.77 -6.17 19.84 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.3 tt -93.16 -61.93 1.48 Allowed 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.529 1.131 . . . . 0.0 108.948 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -59.91 -13.35 10.56 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.603 177.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -95.37 -37.98 10.71 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.245 1.418 . . . . 0.0 109.017 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -73.38 -14.01 61.2 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 122.168 0.985 . . . . 0.0 109.486 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 mp -93.63 -44.34 8.23 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 112.902 -1.954 . . . . 0.0 106.855 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.33 -15.28 63.5 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 113.127 -1.851 . . . . 0.0 110.056 176.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.13 -26.88 15.83 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 124.841 1.257 . . . . 0.0 107.954 177.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -80.75 -29.44 36.25 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 113.913 -1.494 . . . . 0.0 109.329 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -82.88 -30.67 28.39 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 126.513 1.925 . . . . 0.0 107.05 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -26.4 50.43 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 112.917 -1.947 . . . . 0.0 105.791 174.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -75.5 -34.51 60.83 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 113.339 -1.755 . . . . 0.0 108.59 174.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -49.25 75.79 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 123.343 1.544 . . . . 0.0 109.512 177.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.63 -29.1 1.12 Allowed 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 113.352 -1.749 . . . . 0.0 108.186 176.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.37 -31.36 10.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 112.393 -2.185 . . . . 0.0 112.999 176.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.61 -45.27 8.17 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.975 0.91 . . . . 0.0 109.528 -176.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.51 -27.82 61.58 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.698 -1.137 . . . . 0.0 108.008 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -78.22 -27.17 47.71 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -83.73 -21.77 32.18 Favored 'General case' 0 CA--C 1.509 -0.597 0 O-C-N 125.117 1.51 . . . . 0.0 108.142 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -86.47 -14.49 43.01 Favored 'General case' 0 C--N 1.34 0.195 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 175.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.3 -25.18 17.86 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 112.84 -1.982 . . . . 0.0 106.818 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -85.61 -28.79 24.57 Favored 'General case' 0 CA--C 1.494 -1.173 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 176.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.9 tp -80.84 -31.05 35.62 Favored 'General case' 0 C--O 1.207 -1.148 0 CA-C-N 111.823 -2.444 . . . . 0.0 107.989 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.22 -20.53 37.52 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 106.584 -1.635 . . . . 0.0 106.584 177.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -89.02 -31.71 17.95 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 113.056 -1.883 . . . . 0.0 108.025 176.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -86.24 -19.89 29.28 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.864 176.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.57 -60.19 4.05 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.408 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -91.3 -42.49 10.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.574 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 C-N-CA 124.379 1.071 . . . . 0.0 112.292 -179.933 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 120.761 0.315 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -114.22 -2.67 13.32 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 123.202 0.601 . . . . 0.0 111.271 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.29 -40.99 10.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.151 -177.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 tt -95.75 -61.47 1.45 Allowed 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.273 -1.33 . . . . 0.0 109.951 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -32.33 69.22 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 113.574 -1.648 . . . . 0.0 112.456 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -90.71 -17.7 26.31 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 123.974 0.796 . . . . 0.0 110.494 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.46 -22.2 32.65 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tp -89.78 -30.04 18.26 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 111.573 -2.558 . . . . 0.0 106.618 177.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.84 -21.98 40.32 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 113.31 -1.768 . . . . 0.0 107.886 175.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -85.18 -38.72 18.67 Favored 'General case' 0 CA--C 1.488 -1.412 0 N-CA-C 105.915 -1.883 . . . . 0.0 105.915 175.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -72.94 -20.18 61.1 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 111.814 -2.448 . . . . 0.0 108.429 176.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.15 -32.19 24.79 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 175.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -80.0 -23.35 41.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 110.936 -2.847 . . . . 0.0 108.862 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.36 -16.02 25.09 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 175.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -86.66 -25.05 25.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 111.792 -2.458 . . . . 0.0 106.17 174.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.8 -34.3 18.32 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-N 112.521 -2.127 . . . . 0.0 107.487 177.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.45 -16.67 41.75 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 112.218 -2.265 . . . . 0.0 108.163 175.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 tt -86.27 -36.07 19.57 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 104.72 -2.326 . . . . 0.0 104.72 175.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.36 -45.58 62.55 Favored 'General case' 0 N--CA 1.427 -1.608 0 CA-C-N 112.224 -2.262 . . . . 0.0 107.389 174.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -68.19 -10.88 57.64 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.104 -1.407 . . . . 0.0 108.401 175.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.65 -33.46 11.31 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 174.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.04 -56.09 3.3 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 113.207 -1.815 . . . . 0.0 111.908 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.82 -12.35 55.73 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 -176.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.07 -23.24 19.54 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.69 -38.7 62.31 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 126.243 1.817 . . . . 0.0 108.608 177.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.19 -24.29 51.43 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-N 112.684 -2.053 . . . . 0.0 107.116 176.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -83.81 -33.94 24.83 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 112.592 -2.094 . . . . 0.0 108.207 175.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.54 -34.25 65.11 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 105.609 -1.997 . . . . 0.0 105.609 174.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.09 -46.44 61.81 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 112.144 -2.298 . . . . 0.0 109.385 176.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -40.8 98.26 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.07 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.49 -4.91 47.94 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 114.72 -1.127 . . . . 0.0 112.601 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -87.32 -40.35 14.55 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.286 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 62.56 125.03 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.962 0.905 . . . . 0.0 112.236 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 84.3 m -132.9 129.87 38.93 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.9 pp -107.81 -37.05 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.5 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 93.2 m -124.55 -7.93 7.45 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.445 0.465 . . . . 0.0 111.253 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 61.54 102.93 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.997 0.919 . . . . 0.0 112.025 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.7 pp -148.69 125.13 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.916 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -130.78 145.98 52.11 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.043 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -99.68 156.67 16.96 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.4 m -90.4 149.55 22.22 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.161 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 51.5 m -97.02 149.29 22.08 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.212 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -99.07 152.87 19.36 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 1.6 mpt? 71.21 -51.28 0.69 Allowed 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.42 1.088 . . . . 0.0 112.319 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.68 104.11 24.2 Favored Pre-proline 0 CA--C 1.541 0.612 0 O-C-N 123.218 0.324 . . . . 0.0 111.202 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -60.23 -71.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.765 2.31 . . . . 0.0 113.231 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 5.7 mt 66.18 -18.46 0.11 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.776 1.23 . . . . 0.0 113.753 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 51.71 156.29 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.547 1.539 . . . . 0.0 114.085 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 51.5 m -126.12 -28.89 3.09 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.316 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -97.56 -42.15 7.81 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -88.66 -8.64 54.24 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.42 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -105.73 -7.05 18.63 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.2 tt -96.44 -69.39 0.76 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.454 0.702 . . . . 0.0 111.035 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -63.45 -13.37 39.68 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 114.812 -1.085 . . . . 0.0 112.224 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -95.79 -40.67 9.23 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.353 1.061 . . . . 0.0 109.811 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -76.19 -12.4 60.09 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.689 0.757 . . . . 0.0 109.874 177.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -93.26 -44.58 8.25 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-N 113.472 -1.694 . . . . 0.0 106.755 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.38 -19.26 65.87 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 113.263 -1.79 . . . . 0.0 110.047 176.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.57 -26.7 17.0 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.326 -1.306 . . . . 0.0 108.44 177.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.7 -10.66 53.23 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 124.62 1.2 . . . . 0.0 109.744 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -94.9 -30.91 13.92 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.293 -1.776 . . . . 0.0 106.649 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -86.67 -29.54 22.41 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 112.456 -2.156 . . . . 0.0 107.786 176.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -88.06 -14.28 39.34 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.511 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.17 -28.8 57.46 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 125.253 1.421 . . . . 0.0 111.298 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.2 -19.21 27.18 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 126.356 1.863 . . . . 0.0 106.502 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.7 -18.73 20.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 112.581 -2.1 . . . . 0.0 107.902 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.06 -36.0 11.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 177.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -78.87 -28.32 44.13 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 113.892 -1.504 . . . . 0.0 109.084 177.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -80.34 -18.36 49.31 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 174.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -92.85 -24.71 18.39 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 113.469 -1.696 . . . . 0.0 108.536 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -88.92 -16.43 31.86 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 114.207 -1.361 . . . . 0.0 108.244 177.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.89 -21.26 19.94 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 176.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.37 -36.67 22.32 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 112.926 -1.943 . . . . 0.0 106.547 176.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 7.1 tp -77.73 -28.46 50.82 Favored 'General case' 0 C--O 1.205 -1.246 0 CA-C-N 111.991 -2.368 . . . . 0.0 108.204 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.7 -20.07 34.13 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 177.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -87.99 -31.97 19.08 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-N 112.908 -1.951 . . . . 0.0 107.637 176.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -87.61 -16.76 33.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.376 -1.283 . . . . 0.0 109.944 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 64.1 tp -58.92 -59.79 4.89 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.015 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -92.63 -42.43 9.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.627 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.228 0 C-N-CA 124.424 1.09 . . . . 0.0 112.155 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 120.759 0.314 . . . . 0.0 111.592 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.03 -1.83 11.84 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.151 0.58 . . . . 0.0 111.04 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.83 -43.28 9.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.013 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tt -95.75 -59.47 1.86 Allowed 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.928 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -32.31 67.79 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 113.718 -1.583 . . . . 0.0 112.436 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -93.43 -11.41 32.22 Favored 'General case' 0 N--CA 1.466 0.325 0 O-C-N 124.189 0.931 . . . . 0.0 110.395 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.64 -22.9 23.21 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 175.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tp -91.13 -31.17 16.33 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 111.635 -2.529 . . . . 0.0 107.179 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.44 -19.34 39.16 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 113.325 -1.761 . . . . 0.0 107.345 175.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.53 -28.85 18.24 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 175.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -81.63 -19.15 42.39 Favored 'General case' 0 CA--C 1.511 -0.529 0 O-C-N 125.511 1.757 . . . . 0.0 106.885 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.0 -33.7 26.48 Favored 'General case' 0 N--CA 1.424 -1.766 0 N-CA-C 105.144 -2.169 . . . . 0.0 105.144 175.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 13.4 t-105 -80.96 -19.42 44.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 111.615 -2.539 . . . . 0.0 109.07 176.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.59 -19.98 23.1 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 175.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tt -81.93 -41.34 21.0 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 111.287 -2.688 . . . . 0.0 106.21 175.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -72.37 -28.32 62.94 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 113.5 -1.682 . . . . 0.0 107.091 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.26 -19.4 36.44 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 112.183 -2.28 . . . . 0.0 107.652 175.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 8.1 tp -85.31 -35.86 21.19 Favored 'General case' 0 C--N 1.347 0.483 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 175.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.92 -29.09 55.51 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-N 113.513 -1.676 . . . . 0.0 106.733 176.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.64 -17.64 40.83 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 112.497 -2.138 . . . . 0.0 108.776 175.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -32.36 20.06 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 104.562 -2.384 . . . . 0.0 104.562 175.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.33 -41.56 63.34 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 112.605 -2.089 . . . . 0.0 106.868 174.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.55 -12.79 60.0 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 112.109 -2.314 . . . . 0.0 110.815 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -29.3 63.22 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 124.521 1.128 . . . . 0.0 109.794 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 mp -75.93 -48.13 22.46 Favored 'General case' 0 C--O 1.203 -1.347 0 CA-C-N 113.973 -1.467 . . . . 0.0 107.366 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.94 -21.47 65.98 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 112.687 -2.051 . . . . 0.0 107.644 174.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -79.17 -27.55 42.69 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 113.519 -1.673 . . . . 0.0 106.917 173.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.07 -38.21 11.74 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 113.945 -1.48 . . . . 0.0 108.981 175.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.1 -56.93 3.51 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 113.335 -1.757 . . . . 0.0 114.009 -178.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.36 -42.98 16.45 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -176.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.55 -5.19 31.44 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 2.5 m95 -93.99 -45.85 7.41 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 111.447 0.165 . . . . 0.0 111.447 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 18.7 m120 57.71 23.92 10.04 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.744 0.818 . . . . 0.0 112.682 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 49.5 t -93.86 -43.95 8.34 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.35 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.0 pp -141.29 135.18 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 O-C-N 123.386 0.429 . . . . 0.0 111.178 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 84.4 m -128.34 -45.3 1.37 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.501 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 63.34 151.86 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.827 0.851 . . . . 0.0 112.077 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.36 -54.15 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.757 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -136.68 -45.93 0.6 Allowed 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.216 0.322 . . . . 0.0 111.47 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -113.4 152.74 29.63 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.345 0.403 . . . . 0.0 111.344 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 25.8 p -95.84 -38.99 10.05 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.18 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 11.8 t 71.63 -42.12 0.52 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.535 1.134 . . . . 0.0 112.85 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -94.76 -63.19 1.2 Allowed 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.76 139.3 25.01 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.067 0.229 . . . . 0.0 110.975 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -117.73 89.37 32.97 Favored Pre-proline 0 CA--C 1.544 0.72 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.701 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.66 152.24 33.05 Favored 'Trans proline' 0 C--N 1.372 1.804 0 C-N-CA 122.732 2.288 . . . . 0.0 113.053 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 22.3 mt -113.42 -14.75 12.72 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.448 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -92.38 -4.51 53.71 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.818 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 63.6 m -128.01 -23.15 3.38 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -97.17 -55.51 2.83 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.48 0.178 . . . . 0.0 111.48 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -92.53 -9.18 42.22 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.57 -7.4 28.25 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.7 mt -96.22 -68.81 0.78 Allowed 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.503 0.721 . . . . 0.0 110.951 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -56.8 -15.6 4.99 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.407 -1.27 . . . . 0.0 112.024 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -95.51 -40.68 9.33 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 124.525 1.13 . . . . 0.0 109.568 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -75.02 -12.37 60.31 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.982 0.896 . . . . 0.0 109.645 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -93.04 -46.16 7.58 Favored 'General case' 0 CA--C 1.496 -1.125 0 CA-C-N 113.093 -1.867 . . . . 0.0 106.601 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.27 -19.94 63.76 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 113.262 -1.79 . . . . 0.0 110.023 176.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.23 -26.57 17.3 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 114.313 -1.312 . . . . 0.0 108.534 177.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -88.72 -11.85 43.97 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.289 -1.323 . . . . 0.0 109.624 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -94.61 -33.55 12.96 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 126.267 1.827 . . . . 0.0 106.089 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -77.05 -30.52 55.68 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 112.581 -2.099 . . . . 0.0 106.657 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -84.35 -13.62 51.83 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 113.877 -1.51 . . . . 0.0 109.792 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -85.06 -13.28 50.91 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.733 1.213 . . . . 0.0 110.707 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -94.66 -26.52 16.29 Favored 'General case' 0 CA--C 1.491 -1.291 0 C-N-CA 126.972 2.109 . . . . 0.0 105.707 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.38 -22.52 22.54 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 109.056 -3.702 . . . . 0.0 107.896 177.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.17 -33.34 19.42 Favored 'General case' 0 C--N 1.343 0.315 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 176.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -78.17 -30.62 49.2 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 112.673 -2.058 . . . . 0.0 107.877 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -77.51 -25.58 50.43 Favored 'General case' 0 C--N 1.345 0.378 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 174.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -85.53 -21.04 28.77 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 113.841 -1.527 . . . . 0.0 108.043 176.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -86.86 -13.86 43.72 Favored 'General case' 0 C--N 1.341 0.224 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 175.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.17 -24.32 18.27 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 112.742 -2.026 . . . . 0.0 106.602 176.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -85.22 -29.83 24.36 Favored 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 175.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 tp -80.77 -29.39 36.17 Favored 'General case' 0 C--O 1.208 -1.131 0 CA-C-N 111.787 -2.46 . . . . 0.0 107.921 175.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.1 -20.42 38.14 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 176.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -88.99 -32.42 17.64 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 112.847 -1.979 . . . . 0.0 107.975 176.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -87.15 -17.18 33.34 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.969 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.48 -60.03 4.12 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.187 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -86.77 -42.01 13.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.564 -1.198 . . . . 0.0 111.637 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.267 0 C-N-CA 124.368 1.067 . . . . 0.0 112.301 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 88.8 mtp . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.395 0.141 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 51.74 -1.21 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.042 1.737 . . . . 0.0 114.696 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.61 -42.49 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.815 0.817 . . . . 0.0 109.716 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -95.05 -53.1 3.94 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 113.068 -1.878 . . . . 0.0 108.386 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -31.85 61.96 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 113.332 -1.758 . . . . 0.0 111.535 179.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -93.85 -12.22 29.44 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.589 1.18 . . . . 0.0 110.348 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -22.5 21.84 Favored 'General case' 0 C--N 1.339 0.127 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.79 -31.2 15.84 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 111.773 -2.467 . . . . 0.0 107.121 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.21 -20.31 38.01 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 113.337 -1.756 . . . . 0.0 107.523 175.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -29.04 18.72 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 176.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -81.14 -19.93 42.43 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 125.467 1.729 . . . . 0.0 106.849 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.75 -34.43 27.15 Favored 'General case' 0 N--CA 1.422 -1.863 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 175.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -79.37 -19.17 50.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 111.699 -2.5 . . . . 0.0 108.86 176.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.63 -19.11 24.03 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 174.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.93 -31.95 23.36 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 111.221 -2.718 . . . . 0.0 107.01 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -82.59 -26.78 31.99 Favored 'General case' 0 CA--C 1.489 -1.367 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.53 -16.96 40.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 111.803 -2.453 . . . . 0.0 106.801 174.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -89.57 -27.41 20.26 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 174.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.43 -29.63 27.92 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 175.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.27 -19.61 36.0 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 112.241 -2.254 . . . . 0.0 109.263 175.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -30.4 20.61 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 104.044 -2.576 . . . . 0.0 104.044 175.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -46.89 51.1 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-N 112.49 -2.141 . . . . 0.0 106.191 174.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.62 -12.85 61.36 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 112.552 -2.113 . . . . 0.0 110.5 177.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.47 -25.17 29.1 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 124.711 1.204 . . . . 0.0 109.417 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 tt -86.05 -45.69 11.18 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 126.185 1.794 . . . . 0.0 107.314 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.0 -21.01 64.17 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 125.277 1.61 . . . . 0.0 107.055 174.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -75.77 -27.22 57.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 113.182 -1.826 . . . . 0.0 106.753 173.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.73 -38.46 10.78 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 113.525 -1.671 . . . . 0.0 109.093 175.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.11 -54.61 5.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 113.624 -1.626 . . . . 0.0 113.848 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -44.97 10.76 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -176.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.3 -8.82 42.96 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -92.41 -13.06 30.62 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 62.94 125.79 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.043 0.937 . . . . 0.0 112.301 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 24.9 p -132.22 134.05 44.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.537 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.2 pp -109.36 -59.74 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 O-C-N 123.423 0.452 . . . . 0.0 111.614 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 49.7 t -154.53 -43.7 0.09 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.476 0.31 . . . . 0.0 111.283 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -94.63 -14.97 24.4 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.453 0.471 . . . . 0.0 112.26 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 tt 56.07 167.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 124.446 1.098 . . . . 0.0 112.532 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -93.6 142.84 26.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -98.7 161.7 13.51 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.772 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 81.8 m -88.96 161.14 16.79 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.311 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 54.0 m -83.25 -36.07 24.85 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.896 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -92.42 -47.59 7.08 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.365 0.416 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 7.8 ttt 60.52 121.58 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.059 0.944 . . . . 0.0 112.024 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.95 -49.52 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.672 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.846 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.94 156.88 23.79 Favored 'Trans proline' 0 C--N 1.38 2.233 0 C-N-CA 122.35 2.034 . . . . 0.0 112.62 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 21.4 mt -95.43 -11.72 27.14 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.798 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -107.2 -53.95 2.54 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.898 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 48.8 m 69.58 -35.8 0.32 Allowed 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 124.458 1.103 . . . . 0.0 113.195 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -97.22 -44.85 6.75 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 122.399 0.279 . . . . 0.0 111.283 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -87.54 -9.15 55.24 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.414 0.446 . . . . 0.0 111.482 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.94 -7.06 34.14 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.887 0.475 . . . . 0.0 111.918 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -95.83 -68.22 0.81 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.073 0.949 . . . . 0.0 111.206 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -59.84 -13.76 12.05 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 114.581 -1.191 . . . . 0.0 112.208 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -94.77 -37.95 11.01 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.379 1.072 . . . . 0.0 108.674 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -76.61 -12.1 59.96 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 122.096 0.95 . . . . 0.0 109.109 175.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 tt -93.16 -44.64 8.26 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 126.859 2.064 . . . . 0.0 106.71 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.1 -19.28 65.61 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 113.405 -1.725 . . . . 0.0 109.993 176.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.19 -25.89 18.46 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.456 -1.247 . . . . 0.0 108.37 177.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -85.53 -14.79 44.82 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.608 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -94.99 -29.28 14.71 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 126.177 1.791 . . . . 0.0 106.314 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -32.57 30.0 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 112.464 -2.153 . . . . 0.0 106.965 175.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -82.24 -14.24 55.81 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 114.229 -1.35 . . . . 0.0 109.647 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 3.0 tt -83.89 -38.55 20.98 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 125.04 1.336 . . . . 0.0 109.359 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -16.85 56.36 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 112.445 -2.161 . . . . 0.0 107.439 176.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.14 -22.86 18.2 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 112.756 -2.02 . . . . 0.0 107.409 177.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.78 -39.64 16.9 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 175.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -71.74 -29.72 64.82 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 112.939 -1.937 . . . . 0.0 108.875 176.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -82.19 -16.94 47.96 Favored 'General case' 0 C--N 1.345 0.405 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 174.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.4 -22.95 19.36 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 113.677 -1.601 . . . . 0.0 107.44 176.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -90.08 -15.16 32.26 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 113.781 -1.554 . . . . 0.0 107.616 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.89 -21.97 19.53 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 176.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -36.14 23.46 Favored 'General case' 0 N--CA 1.427 -1.595 0 CA-C-N 112.672 -2.058 . . . . 0.0 106.257 176.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 11.8 tp -77.36 -28.17 52.87 Favored 'General case' 0 C--O 1.205 -1.261 0 CA-C-N 111.91 -2.405 . . . . 0.0 108.037 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.61 -20.55 36.19 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 176.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -89.27 -32.54 17.33 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 112.794 -2.003 . . . . 0.0 108.027 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -86.7 -18.38 31.37 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.961 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mt -56.59 -60.0 4.17 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.577 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -82.54 -41.24 19.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.515 -1.22 . . . . 0.0 112.091 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.087 -0.959 . . . . 0.0 111.327 -179.866 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ttp . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 120.595 0.235 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -112.32 -2.65 14.75 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.26 0.553 . . . . 0.0 111.021 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.28 -40.31 11.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.013 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 tt -95.78 -62.32 1.31 Allowed 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 114.253 -1.339 . . . . 0.0 109.969 -179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -31.5 68.58 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 113.693 -1.594 . . . . 0.0 112.494 -179.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -91.76 -12.0 35.11 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 124.09 0.869 . . . . 0.0 110.375 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.16 -21.11 23.48 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 105.906 -1.886 . . . . 0.0 105.906 175.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -90.2 -36.4 14.8 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 111.267 -2.697 . . . . 0.0 106.686 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.89 -19.23 52.41 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 113.215 -1.811 . . . . 0.0 107.899 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.72 -29.58 18.64 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 175.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -81.56 -18.45 44.87 Favored 'General case' 0 CA--C 1.512 -0.491 0 O-C-N 125.53 1.769 . . . . 0.0 107.208 176.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.76 -31.5 23.94 Favored 'General case' 0 N--CA 1.428 -1.549 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 175.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 -80.68 -22.71 40.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 110.84 -2.891 . . . . 0.0 108.681 176.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -93.16 -17.33 23.87 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 175.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -85.88 -24.85 26.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 111.646 -2.524 . . . . 0.0 106.379 175.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.78 -34.78 19.48 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 112.537 -2.12 . . . . 0.0 107.036 177.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.55 -17.49 44.75 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 112.048 -2.342 . . . . 0.0 108.077 175.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 tt -86.16 -35.56 20.06 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 175.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -38.92 72.72 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 111.867 -2.424 . . . . 0.0 107.867 175.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -79.25 -16.18 56.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 112.409 -2.178 . . . . 0.0 109.133 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.49 -32.55 19.39 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 104.419 -2.437 . . . . 0.0 104.419 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.06 -42.1 60.73 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 112.589 -2.096 . . . . 0.0 107.015 174.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.81 -12.69 60.22 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 112.159 -2.291 . . . . 0.0 110.648 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.27 -27.6 59.46 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.605 1.162 . . . . 0.0 109.819 178.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.1 -38.39 44.2 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 113.831 -1.531 . . . . 0.0 108.155 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.12 -20.16 49.32 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 111.587 -2.551 . . . . 0.0 106.927 175.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -79.56 -25.57 41.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 113.285 -1.78 . . . . 0.0 106.436 173.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.81 -37.81 12.11 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 113.653 -1.612 . . . . 0.0 108.814 175.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.73 -55.48 4.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 113.542 -1.663 . . . . 0.0 113.917 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.35 -43.99 13.2 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -176.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.97 -6.38 38.28 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -89.6 -40.5 12.56 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 122.93 0.144 . . . . 0.0 111.154 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -117.87 139.74 50.69 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.45 0.469 . . . . 0.0 110.811 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 83.3 m -93.95 -42.03 9.28 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.45 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.0 pp -119.19 134.84 61.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 O-C-N 123.379 0.424 . . . . 0.0 111.09 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 85.5 m -119.94 120.66 37.03 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.06 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -134.69 -42.97 0.75 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.724 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.1 pp -128.94 -45.29 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.5 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -105.49 131.52 52.79 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.376 0.423 . . . . 0.0 110.858 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -109.59 -37.62 5.65 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.053 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 79.1 m -93.76 160.75 14.62 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 55.2 p -88.45 36.39 0.79 Allowed 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.472 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 65.75 -73.8 0.06 Allowed 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.198 0.999 . . . . 0.0 111.909 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 6.4 tpt 56.59 171.09 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.802 0.841 . . . . 0.0 112.096 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.73 62.52 50.42 Favored Pre-proline 0 CA--C 1.55 0.948 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.501 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -86.28 164.65 9.74 Favored 'Trans proline' 0 C--N 1.372 1.784 0 C-N-CA 123.055 2.503 . . . . 0.0 112.456 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -94.84 -12.64 26.6 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.709 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -134.25 -52.77 0.84 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.795 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 8.1 t 71.05 -45.45 0.61 Allowed 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.59 1.156 . . . . 0.0 113.189 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -97.73 -48.26 5.28 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 122.384 0.274 . . . . 0.0 111.293 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -77.33 -7.16 55.58 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.543 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.38 -21.1 13.18 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 tt -97.52 -70.24 0.73 Allowed 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.141 0.577 . . . . 0.0 112.097 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -65.65 -14.8 61.93 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 114.679 -1.146 . . . . 0.0 112.104 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -95.65 -37.62 10.74 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.191 0.996 . . . . 0.0 110.232 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -75.25 -12.57 60.31 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 122.127 0.965 . . . . 0.0 109.408 176.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -93.56 -43.56 8.64 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 112.885 -1.961 . . . . 0.0 106.761 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.57 -15.64 63.26 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 113.224 -1.807 . . . . 0.0 110.295 176.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.2 -25.2 16.48 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 177.29 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 tt -77.4 -43.35 32.97 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 113.686 -1.597 . . . . 0.0 108.72 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -70.92 -31.96 68.74 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 112.635 -2.075 . . . . 0.0 108.297 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -74.96 -33.0 61.85 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -82.29 -15.17 53.93 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 113.45 -1.705 . . . . 0.0 110.111 176.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.47 -17.11 27.71 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 124.704 1.201 . . . . 0.0 109.472 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.52 -20.61 18.25 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 105.99 -1.856 . . . . 0.0 105.99 178.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.95 -26.87 15.94 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 112.234 -2.257 . . . . 0.0 108.472 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.15 -40.95 14.14 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 176.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -68.41 -28.91 67.5 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.099 -1.409 . . . . 0.0 108.74 174.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -81.52 -18.62 44.41 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -90.85 -24.18 20.34 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 113.713 -1.585 . . . . 0.0 107.777 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -87.99 -15.77 35.55 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 113.766 -1.561 . . . . 0.0 107.647 176.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.99 -21.97 19.45 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.46 -35.79 22.76 Favored 'General case' 0 N--CA 1.427 -1.605 0 CA-C-N 112.803 -1.998 . . . . 0.0 106.411 176.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 tp -76.49 -29.49 56.86 Favored 'General case' 0 C--O 1.206 -1.228 0 CA-C-N 111.878 -2.419 . . . . 0.0 108.002 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.25 -19.77 35.78 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 176.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -87.83 -31.23 19.66 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 112.778 -2.01 . . . . 0.0 107.468 176.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -87.28 -18.33 30.45 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.122 -1.399 . . . . 0.0 109.849 176.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 9.6 tt -63.63 -60.13 3.72 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.994 178.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -86.91 -43.21 12.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.874 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.216 0 C-N-CA 124.438 1.095 . . . . 0.0 112.266 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 111.294 0.109 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -91.12 0.16 57.59 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.125 0.57 . . . . 0.0 111.256 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.91 -17.79 24.7 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.03 1.332 . . . . 0.0 110.157 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -92.08 -35.61 13.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.213 -1.358 . . . . 0.0 107.481 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.39 -23.58 40.33 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 113.129 -1.851 . . . . 0.0 107.914 176.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -85.14 -27.49 26.17 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 113.271 -1.786 . . . . 0.0 109.863 177.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -22.5 38.02 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -88.55 -27.0 21.69 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 111.772 -2.467 . . . . 0.0 106.309 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.35 -21.85 30.76 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 125.271 1.607 . . . . 0.0 107.715 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -82.4 -36.09 27.05 Favored 'General case' 0 CA--C 1.487 -1.456 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 174.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -75.91 -21.91 56.62 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 111.119 -2.764 . . . . 0.0 108.372 176.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -83.23 -29.7 28.27 Favored 'General case' 0 CA--C 1.489 -1.391 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 174.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -80.7 -21.33 41.35 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 111.374 -2.648 . . . . 0.0 108.789 176.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.76 -18.05 25.62 Favored 'General case' 0 CA--C 1.494 -1.177 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 174.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -84.03 -34.01 24.36 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 111.279 -2.691 . . . . 0.0 106.595 175.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -82.44 -28.2 31.47 Favored 'General case' 0 CA--C 1.49 -1.334 0 CA-C-N 113.392 -1.731 . . . . 0.0 106.786 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.95 -17.93 38.97 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 112.099 -2.319 . . . . 0.0 107.38 175.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 44.2 tp -84.78 -37.77 20.4 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 113.75 -1.568 . . . . 0.0 107.472 175.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.3 -26.31 42.29 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 112.625 -2.08 . . . . 0.0 107.413 175.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.08 -15.53 53.15 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 113.241 -1.8 . . . . 0.0 107.62 175.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.7 -30.19 12.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 113.097 -1.865 . . . . 0.0 107.571 175.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.31 -46.53 7.99 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 113.7 -1.591 . . . . 0.0 112.553 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.06 -12.61 32.64 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -176.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -94.16 -42.68 8.85 Favored 'General case' 0 C--O 1.207 -1.158 0 CA-C-O 121.447 0.641 . . . . 0.0 109.67 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -26.71 67.41 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 112.556 -2.111 . . . . 0.0 110.017 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.92 -33.63 39.59 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 112.225 -2.261 . . . . 0.0 106.972 176.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -79.59 -32.35 41.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 111.733 -2.485 . . . . 0.0 108.871 176.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.58 -30.85 57.19 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 175.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 tt -71.55 -46.85 58.3 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 112.272 -2.24 . . . . 0.0 108.721 175.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -36.09 82.93 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.864 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.17 -23.92 65.92 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 114.443 -1.253 . . . . 0.0 112.864 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 48.2 m95 -88.17 -41.76 12.78 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.318 0.386 . . . . 0.0 111.369 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 63.36 142.49 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.131 0.973 . . . . 0.0 112.226 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 81.1 m -128.32 130.08 47.26 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.685 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 tp -127.33 -38.45 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 49.7 t -100.62 142.75 31.66 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.292 0.37 . . . . 0.0 110.825 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.44 130.22 45.68 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 tp -111.53 154.08 13.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.616 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -90.51 149.83 22.03 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.095 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -97.77 148.47 23.34 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.233 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.2 m -124.25 160.34 28.18 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.726 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 52.4 p -86.79 99.51 11.85 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.167 0.508 . . . . 0.0 111.228 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -145.03 160.84 40.74 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 23.5 mmt -90.3 116.3 28.16 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.24 159.78 70.77 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.294 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -69.78 -176.89 1.64 Allowed 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.592 2.195 . . . . 0.0 112.632 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 6.1 mp -75.91 -9.42 58.59 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -108.16 97.94 7.56 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.222 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 47.5 m -145.93 -163.06 1.65 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.747 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -84.18 -40.96 17.51 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.754 0.422 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -88.83 -9.81 50.37 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.644 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.47 -5.93 58.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.799 0.84 . . . . 0.0 111.759 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.4 tt -93.53 -60.05 1.86 Allowed 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.921 1.289 . . . . 0.0 109.453 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.59 -13.41 31.03 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.042 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -95.06 -37.47 11.09 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 124.877 1.271 . . . . 0.0 108.602 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -75.43 -12.58 60.28 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 122.074 0.94 . . . . 0.0 109.279 176.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 tt -93.28 -45.93 7.61 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 126.743 2.017 . . . . 0.0 106.491 178.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.61 -16.32 64.11 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 113.553 -1.658 . . . . 0.0 110.054 176.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.5 -27.27 16.07 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 114.453 -1.248 . . . . 0.0 108.389 177.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -85.16 -13.07 51.26 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 124.646 1.216 . . . . 0.0 109.585 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -95.11 -31.55 13.5 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 113.065 -1.88 . . . . 0.0 106.874 178.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.77 -29.46 25.43 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 112.587 -2.097 . . . . 0.0 107.659 176.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -85.66 -16.36 39.38 Favored 'General case' 0 C--O 1.212 -0.891 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.743 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -20.23 63.31 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 122.673 1.225 . . . . 0.0 110.823 178.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.05 -19.5 20.8 Favored 'General case' 0 C--N 1.284 -2.266 0 CA-C-N 112.207 -2.269 . . . . 0.0 106.395 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.26 -27.87 13.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 112.761 -2.018 . . . . 0.0 110.788 177.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.12 -40.29 9.69 Favored 'General case' 0 N--CA 1.445 -0.706 0 O-C-N 124.283 0.989 . . . . 0.0 108.933 -179.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -80.05 -21.89 42.95 Favored 'General case' 0 CA--C 1.51 -0.582 0 O-C-N 124.544 1.152 . . . . 0.0 109.215 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -83.35 -17.83 41.01 Favored 'General case' 0 C--N 1.349 0.546 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 173.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -92.22 -24.14 19.13 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-N 113.461 -1.699 . . . . 0.0 108.217 176.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -89.63 -16.24 30.97 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.125 -1.398 . . . . 0.0 107.98 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.97 -21.42 19.79 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 106.02 -1.844 . . . . 0.0 106.02 176.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.73 -36.24 23.81 Favored 'General case' 0 N--CA 1.426 -1.63 0 CA-C-N 112.937 -1.938 . . . . 0.0 106.501 175.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 12.4 tp -76.36 -29.99 57.41 Favored 'General case' 0 C--O 1.205 -1.273 0 CA-C-N 111.812 -2.449 . . . . 0.0 108.017 176.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.31 -19.91 35.36 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 177.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -87.91 -31.4 19.47 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 113.045 -1.889 . . . . 0.0 107.51 176.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -87.5 -16.45 34.69 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 114.348 -1.296 . . . . 0.0 110.011 176.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 10.3 tt -66.1 -60.46 2.79 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.208 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -87.5 -43.48 12.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.691 -1.141 . . . . 0.0 111.893 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.209 0 C-N-CA 124.351 1.061 . . . . 0.0 112.292 -179.794 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 120.859 0.361 . . . . 0.0 111.668 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -115.85 -3.19 12.21 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.218 0.607 . . . . 0.0 111.446 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.36 -42.86 9.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.464 -177.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -96.2 -52.71 3.9 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.583 -178.562 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -31.41 71.99 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 113.949 -1.478 . . . . 0.0 112.203 -178.872 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -91.67 -11.65 36.37 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 124.185 0.928 . . . . 0.0 110.269 178.438 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -22.14 23.53 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 175.015 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 tt -87.87 -40.73 13.75 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 111.228 -2.714 . . . . 0.0 106.319 177.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.47 -17.13 59.47 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 125.412 1.695 . . . . 0.0 107.978 176.347 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -28.78 23.34 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 174.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -83.59 -19.06 36.22 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 112.987 -1.915 . . . . 0.0 107.753 177.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -89.45 -21.66 22.89 Favored 'General case' 0 CA--C 1.493 -1.219 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 175.227 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -88.37 -24.08 23.2 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 110.982 -2.826 . . . . 0.0 108.948 176.383 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -92.04 -18.98 22.85 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 176.066 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tt -81.38 -36.48 29.54 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-N 111.723 -2.489 . . . . 0.0 106.087 175.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.89 -35.82 62.27 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 112.174 -2.285 . . . . 0.0 107.982 176.069 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.55 -17.41 48.5 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 112.319 -2.219 . . . . 0.0 108.368 176.101 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 tt -84.44 -35.77 22.81 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 105.238 -2.134 . . . . 0.0 105.238 174.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.71 -38.96 67.33 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 112.118 -2.31 . . . . 0.0 108.267 176.16 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -78.99 -16.06 57.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 112.761 -2.018 . . . . 0.0 108.935 176.308 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -31.36 18.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 104.429 -2.434 . . . . 0.0 104.429 174.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 tt -75.63 -41.46 54.15 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 112.373 -2.194 . . . . 0.0 106.608 175.111 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.05 -12.23 59.91 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 113.25 -1.796 . . . . 0.0 110.529 177.186 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.61 -29.16 59.12 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 124.714 1.206 . . . . 0.0 109.668 178.489 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 tt -77.58 -45.82 24.09 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-N 113.855 -1.521 . . . . 0.0 107.1 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.3 -20.41 63.02 Favored 'General case' 0 C--O 1.219 -0.536 0 O-C-N 125.682 1.864 . . . . 0.0 107.283 175.072 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -79.35 -25.83 42.19 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 113.391 -1.732 . . . . 0.0 106.788 173.327 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.96 -35.77 11.86 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 113.799 -1.546 . . . . 0.0 108.994 175.637 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.66 -53.82 5.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 113.651 -1.613 . . . . 0.0 113.387 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.6 -46.32 9.65 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -176.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.31 -31.06 68.21 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -178.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -89.43 -39.66 13.23 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 -179.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -95.8 126.84 41.33 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.335 0.397 . . . . 0.0 110.792 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 83.1 m -104.36 -42.32 5.51 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.525 -179.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.5 pt -120.64 116.55 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 O-C-N 123.347 0.405 . . . . 0.0 111.484 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 83.1 m -132.2 130.43 41.01 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.612 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -116.85 -47.99 2.68 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.492 0.495 . . . . 0.0 111.379 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 pp -145.14 -45.88 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 123.286 0.366 . . . . 0.0 111.75 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -119.77 148.51 43.34 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.353 0.408 . . . . 0.0 111.05 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -121.82 152.11 39.89 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.066 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 49.8 t -97.88 129.2 44.84 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 41.5 p -113.01 150.82 31.41 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.01 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -98.13 -45.81 6.09 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 64.7 mtt -133.64 121.71 22.41 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 123.279 0.362 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.38 108.5 12.29 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.788 179.728 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.19 -77.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.539 2.159 . . . . 0.0 113.118 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -133.12 -30.75 1.32 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.664 0.269 . . . . 0.0 111.581 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -90.31 135.33 33.74 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.025 -179.46 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 19.2 t -141.69 -79.21 0.25 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.492 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -98.52 -64.85 1.0 Allowed 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.56 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -91.99 -9.32 43.37 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -177.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.39 -6.29 22.07 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.393 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 tt -94.85 -67.87 0.83 Allowed 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.233 1.013 . . . . 0.0 110.223 -178.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -59.24 -12.98 6.22 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.538 178.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -95.76 -40.56 9.29 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.743 1.217 . . . . 0.0 109.425 179.045 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -74.77 -12.5 60.42 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 121.849 0.833 . . . . 0.0 109.702 177.217 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.03 -44.03 8.61 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 113.192 -1.822 . . . . 0.0 107.036 178.292 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.82 -17.02 64.38 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 113.013 -1.903 . . . . 0.0 109.889 176.294 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.08 -26.26 16.11 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 114.451 -1.25 . . . . 0.0 107.901 177.331 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 42.5 tp -74.69 -39.82 61.74 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 114.099 -1.41 . . . . 0.0 110.491 178.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -75.09 -31.47 61.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 112.717 -2.038 . . . . 0.0 107.916 177.684 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -30.88 57.26 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 113.271 -1.786 . . . . 0.0 106.197 175.153 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -84.71 -14.43 48.42 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 113.542 -1.663 . . . . 0.0 109.951 175.642 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -89.42 -17.27 29.08 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.119 0.967 . . . . 0.0 109.993 178.653 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -21.0 18.39 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 178.733 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.8 -20.86 19.12 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 111.79 -2.459 . . . . 0.0 107.108 177.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.0 -36.32 19.84 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 175.909 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -76.45 -31.7 57.99 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 112.973 -1.921 . . . . 0.0 107.862 176.565 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -78.26 -25.61 46.88 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 174.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.73 -19.25 31.1 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 124.983 1.427 . . . . 0.0 107.955 176.657 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -86.43 -14.88 41.97 Favored 'General case' 0 C--N 1.343 0.318 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 174.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.33 -25.05 17.9 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 112.509 -2.132 . . . . 0.0 106.838 176.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -86.28 -28.84 23.51 Favored 'General case' 0 CA--C 1.497 -1.078 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 175.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 10.0 tp -79.34 -32.03 43.19 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-N 111.967 -2.379 . . . . 0.0 107.765 176.012 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.95 -20.29 38.92 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 177.025 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -86.56 -31.28 21.31 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 112.978 -1.919 . . . . 0.0 107.355 176.017 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -86.52 -17.51 33.93 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.254 -1.339 . . . . 0.0 109.903 176.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 8.4 tt -70.03 -60.11 2.49 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.568 178.439 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -79.13 -53.45 6.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.015 179.377 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.186 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.375 179.843 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ptt? . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.046 0.451 . . . . 0.0 111.463 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -119.19 -2.31 10.72 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.132 0.573 . . . . 0.0 111.602 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.61 -43.64 9.51 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.017 -177.527 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tt -95.68 -60.26 1.69 Allowed 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 125.047 1.339 . . . . 0.0 109.571 -179.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -32.5 65.31 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 113.515 -1.675 . . . . 0.0 112.527 -179.253 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -94.38 -11.31 30.17 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.247 0.967 . . . . 0.0 110.486 179.248 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.21 -22.71 22.63 Favored 'General case' 0 N--CA 1.461 0.116 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 175.634 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tp -91.29 -31.53 16.07 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 111.82 -2.445 . . . . 0.0 107.287 177.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.52 -19.96 37.66 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 113.39 -1.732 . . . . 0.0 107.505 176.099 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.37 -28.78 18.46 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 176.018 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -81.15 -19.75 42.79 Favored 'General case' 0 CA--C 1.51 -0.587 0 O-C-N 125.415 1.697 . . . . 0.0 106.831 176.534 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.83 -34.92 26.77 Favored 'General case' 0 N--CA 1.421 -1.901 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 175.419 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -79.92 -18.38 50.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 111.595 -2.548 . . . . 0.0 108.903 176.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -91.92 -17.85 24.6 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 105.545 -2.02 . . . . 0.0 105.545 174.668 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -84.91 -33.18 22.79 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 111.084 -2.78 . . . . 0.0 106.547 175.36 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -83.87 -27.47 28.64 Favored 'General case' 0 CA--C 1.492 -1.259 0 CA-C-N 113.585 -1.643 . . . . 0.0 106.823 177.102 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.83 -16.45 41.31 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 112.207 -2.269 . . . . 0.0 107.482 175.519 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 tt -85.9 -37.83 18.69 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 175.014 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.95 -31.52 59.1 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 113.105 -1.862 . . . . 0.0 107.548 176.085 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.18 -18.35 43.01 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 112.849 -1.978 . . . . 0.0 108.837 176.111 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.13 -31.65 20.3 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 104.408 -2.442 . . . . 0.0 104.408 175.391 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 tt -73.34 -42.85 61.77 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 112.567 -2.106 . . . . 0.0 106.115 174.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.01 -14.45 61.43 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 113.538 -1.665 . . . . 0.0 110.474 177.147 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.41 -26.83 41.83 Favored 'General case' 0 C--O 1.213 -0.836 0 C-N-CA 124.615 1.166 . . . . 0.0 109.909 178.715 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.45 -24.69 36.66 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 125.644 1.578 . . . . 0.0 109.706 179.798 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.15 -24.54 22.17 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 111.098 -2.774 . . . . 0.0 106.226 177.138 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -83.07 -35.14 25.94 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 112.34 -2.209 . . . . 0.0 107.922 175.089 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.42 -34.42 63.25 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 175.654 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.06 -44.97 68.05 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 112.53 -2.123 . . . . 0.0 110.243 176.855 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -62.43 -70.47 0.2 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 122.78 1.276 . . . . 0.0 112.749 -179.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.65 -24.64 3.47 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 111.576 -2.557 . . . . 0.0 113.766 -178.431 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 14.3 m95 -91.77 -50.82 5.54 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.392 0.433 . . . . 0.0 111.583 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -142.79 121.88 12.89 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.149 0.28 . . . . 0.0 111.297 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 83.0 m -99.61 -49.92 4.24 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.867 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.2 pp -147.15 99.29 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 179.549 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 48.8 t -141.61 149.88 41.27 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -100.13 -41.03 7.3 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.001 179.721 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.42 121.71 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 O-C-N 123.424 0.452 . . . . 0.0 110.967 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -129.32 146.35 51.22 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.61 0.569 . . . . 0.0 111.206 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -129.15 128.93 44.41 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.795 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 49.8 t -128.01 -41.82 1.6 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.237 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 14.4 t 62.67 122.19 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.971 0.909 . . . . 0.0 111.759 -179.824 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -113.61 131.66 56.04 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.084 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 23.0 mmt -101.13 -40.54 7.14 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.061 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.84 -44.18 0.05 OUTLIER Pre-proline 0 CA--C 1.543 0.677 0 CA-C-O 118.78 -0.629 . . . . 0.0 112.432 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -72.68 157.28 52.47 Favored 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 122.414 2.076 . . . . 0.0 113.002 -179.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.84 -10.06 10.54 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.572 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -64.4 110.89 2.42 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.171 0.588 . . . . 0.0 111.849 -179.709 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 58.2 p -143.91 -116.96 0.09 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -97.97 -49.37 4.8 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 122.515 0.326 . . . . 0.0 111.45 -179.448 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -80.69 -9.58 59.79 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.662 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.78 -6.53 22.49 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.644 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.3 tt -94.34 -66.1 0.94 Allowed 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.67 1.188 . . . . 0.0 109.743 -178.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -57.81 -14.75 6.48 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 114.799 -1.092 . . . . 0.0 111.3 178.559 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -95.44 -38.04 10.64 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 124.986 1.314 . . . . 0.0 109.395 178.786 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -75.4 -12.75 60.32 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 122.126 0.965 . . . . 0.0 109.61 176.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -93.29 -44.05 8.5 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 112.895 -1.957 . . . . 0.0 106.74 178.277 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.37 -15.46 63.32 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 113.065 -1.879 . . . . 0.0 110.15 176.402 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.03 -25.83 16.32 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 177.316 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 34.6 tp -77.37 -37.22 52.65 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 113.707 -1.588 . . . . 0.0 109.97 178.307 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -76.74 -30.77 56.73 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 112.375 -2.193 . . . . 0.0 108.16 177.708 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -79.54 -30.65 41.83 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 113.311 -1.768 . . . . 0.0 106.671 175.401 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -84.71 -14.91 46.97 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 113.748 -1.569 . . . . 0.0 109.898 175.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 tt -84.2 -37.86 21.31 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 124.532 1.133 . . . . 0.0 109.259 178.468 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.35 -18.95 58.64 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 112.741 -2.027 . . . . 0.0 107.427 176.495 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.51 -19.89 20.13 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 112.591 -2.095 . . . . 0.0 106.868 177.301 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.03 -39.91 17.47 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 176.212 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -75.78 -29.18 58.69 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 113.024 -1.898 . . . . 0.0 108.511 177.174 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -82.4 -16.58 48.55 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 174.179 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.48 -23.01 19.26 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 113.626 -1.624 . . . . 0.0 107.515 176.166 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -90.01 -15.64 31.45 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 113.791 -1.55 . . . . 0.0 107.723 176.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.92 -21.98 19.5 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 176.272 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -36.36 22.82 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 112.655 -2.066 . . . . 0.0 106.277 176.255 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 12.0 tp -76.9 -28.17 55.24 Favored 'General case' 0 C--O 1.202 -1.402 0 CA-C-N 111.973 -2.376 . . . . 0.0 108.084 176.074 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.72 -20.47 35.97 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 176.746 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -89.24 -32.74 17.26 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 112.9 -1.955 . . . . 0.0 108.098 176.555 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -88.03 -16.16 34.39 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.251 177.085 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mt -57.14 -59.97 4.31 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.437 178.582 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -82.3 -41.54 19.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.007 179.442 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.313 -179.917 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 72.1 mtm . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.153 0.501 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -122.35 -0.1 9.38 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.171 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.94 -45.47 8.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.21 -178.285 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -96.06 -50.96 4.63 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.268 -1.333 . . . . 0.0 110.03 -178.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -31.45 72.67 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 113.719 -1.582 . . . . 0.0 111.952 -179.146 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -93.63 -10.9 33.01 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.407 1.067 . . . . 0.0 110.211 178.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.86 -23.3 22.82 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 175.728 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tp -91.12 -31.4 16.24 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 111.73 -2.486 . . . . 0.0 107.055 177.771 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.54 -19.19 39.11 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 113.439 -1.71 . . . . 0.0 107.382 175.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.33 -29.57 19.05 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 175.898 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -81.28 -19.21 43.48 Favored 'General case' 0 CA--C 1.512 -0.489 0 O-C-N 125.427 1.704 . . . . 0.0 107.056 176.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.88 -32.2 23.31 Favored 'General case' 0 N--CA 1.427 -1.603 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 175.561 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -79.6 -22.72 43.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 111.081 -2.781 . . . . 0.0 108.644 176.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -91.86 -18.36 23.91 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 175.551 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.32 -24.66 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 111.72 -2.491 . . . . 0.0 106.795 175.561 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.17 -33.44 20.82 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-N 112.59 -2.095 . . . . 0.0 106.385 176.862 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.96 -16.95 45.3 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 111.66 -2.518 . . . . 0.0 107.918 175.25 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -88.59 -25.63 22.37 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 174.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.17 -37.74 25.69 Favored 'General case' 0 N--CA 1.427 -1.575 0 CA-C-N 112.548 -2.115 . . . . 0.0 107.204 176.554 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -79.17 -16.56 56.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 112.356 -2.202 . . . . 0.0 109.109 176.236 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -30.27 19.2 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 104.393 -2.447 . . . . 0.0 104.393 175.016 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 tt -76.72 -40.74 47.65 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 112.452 -2.158 . . . . 0.0 106.491 174.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.7 -12.23 59.95 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 113.219 -1.81 . . . . 0.0 110.342 177.424 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.02 -31.71 66.45 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 124.683 1.193 . . . . 0.0 109.516 178.312 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 tt -72.95 -51.7 17.41 Favored 'General case' 0 C--O 1.213 -0.834 0 C-N-CA 126.065 1.746 . . . . 0.0 107.462 179.488 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.45 -21.05 66.19 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 112.164 -2.289 . . . . 0.0 107.792 174.411 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -82.11 -26.25 33.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 113.619 -1.628 . . . . 0.0 107.411 173.736 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.26 -40.59 12.06 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 114.077 -1.42 . . . . 0.0 108.823 175.725 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 6.8 mp -87.9 -56.11 3.48 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 113.784 -1.553 . . . . 0.0 114.267 -178.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -42.79 46.47 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -176.526 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.85 -4.64 39.04 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.93 -179.54 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -71.82 -34.56 69.42 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 122.522 0.329 . . . . 0.0 111.436 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 18.5 m120 62.78 130.22 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.182 0.993 . . . . 0.0 112.56 179.483 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 83.4 m -133.28 128.74 36.44 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.571 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.8 pp -110.48 -41.93 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.819 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -134.55 146.17 49.41 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.294 0.372 . . . . 0.0 110.792 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -99.99 117.73 34.89 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.901 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.6 tp -139.64 147.46 24.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.645 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -100.48 126.2 46.87 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -131.06 156.93 44.35 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.1 m -92.0 105.78 17.95 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 53.4 m -140.35 156.06 46.56 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.744 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -93.27 121.62 34.83 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.565 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 64.8 mtt -102.94 148.95 25.03 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.055 -179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.16 -46.04 0.06 OUTLIER Pre-proline 0 CA--C 1.543 0.698 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.288 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -77.91 151.71 27.89 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 122.313 2.009 . . . . 0.0 113.031 -179.726 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 33.5 mt -110.0 -11.01 14.69 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.832 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -75.1 99.1 3.84 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.187 -179.578 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 48.9 m -149.67 -65.58 0.22 Allowed 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.666 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -98.64 -70.1 0.74 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -177.799 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -90.58 -9.04 48.58 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -177.73 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.01 -7.56 16.12 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -179.386 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.7 tt -96.81 -69.64 0.75 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 123.873 0.869 . . . . 0.0 110.689 -179.557 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -61.8 -13.73 26.53 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 114.518 -1.219 . . . . 0.0 112.253 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -95.85 -40.3 9.39 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 124.391 1.077 . . . . 0.0 109.681 179.124 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -76.58 -12.47 60.02 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.834 0.826 . . . . 0.0 109.976 177.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.42 -43.08 8.93 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 113.433 -1.712 . . . . 0.0 106.604 178.009 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.1 -19.27 65.79 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 113.03 -1.896 . . . . 0.0 109.808 175.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.73 -24.85 17.68 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 114.273 -1.331 . . . . 0.0 108.24 177.699 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -85.76 -11.0 54.66 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.368 178.244 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -95.62 -31.84 13.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 112.776 -2.011 . . . . 0.0 106.539 178.738 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -29.68 23.68 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 112.518 -2.128 . . . . 0.0 107.492 176.38 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -81.68 -14.15 56.96 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.256 176.002 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 tp -82.49 -30.35 29.94 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 124.87 1.268 . . . . 0.0 110.298 178.118 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -18.72 35.46 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 127.103 2.161 . . . . 0.0 106.629 177.352 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.84 -18.71 20.94 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 112.265 -2.243 . . . . 0.0 106.422 176.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.04 -40.34 13.92 Favored 'General case' 0 C--N 1.346 0.414 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 175.882 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -75.09 -27.54 59.93 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 113.299 -1.773 . . . . 0.0 108.618 177.049 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -82.77 -17.29 44.71 Favored 'General case' 0 C--N 1.346 0.416 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 174.211 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.3 -22.93 19.46 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 113.37 -1.741 . . . . 0.0 107.526 176.255 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -90.83 -14.55 31.63 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 113.766 -1.561 . . . . 0.0 107.574 176.566 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.07 -21.84 19.48 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 105.839 -1.912 . . . . 0.0 105.839 175.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -36.03 23.05 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 112.619 -2.082 . . . . 0.0 106.42 176.186 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 tp -78.0 -27.75 49.08 Favored 'General case' 0 C--O 1.205 -1.255 0 CA-C-N 111.87 -2.423 . . . . 0.0 108.035 176.166 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.74 -20.57 35.71 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 176.701 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -89.31 -32.39 17.37 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 112.723 -2.035 . . . . 0.0 107.963 176.59 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -86.38 -18.78 30.92 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.891 177.061 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 mt -56.33 -59.83 4.39 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.4 178.591 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -81.71 -41.4 21.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.457 -1.247 . . . . 0.0 112.012 179.468 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.033 -0.984 . . . . 0.0 111.243 -179.949 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.405 0.145 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.8 -8.19 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.397 1.479 . . . . 0.0 114.452 -179.548 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.66 -42.76 8.61 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.863 0.84 . . . . 0.0 110.51 178.625 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -94.21 -38.77 10.88 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 113.167 -1.833 . . . . 0.0 109.093 -178.512 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -27.2 65.69 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 113.855 -1.52 . . . . 0.0 109.752 178.724 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -91.26 -15.43 29.2 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 113.83 -1.532 . . . . 0.0 109.634 177.348 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.14 -20.16 24.61 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 176.367 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tt -90.06 -36.32 14.97 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 111.586 -2.552 . . . . 0.0 106.314 177.577 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.37 -19.66 52.9 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 112.954 -1.93 . . . . 0.0 107.818 176.082 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.41 -29.19 19.23 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 175.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -81.29 -19.29 43.28 Favored 'General case' 0 CA--C 1.512 -0.488 0 O-C-N 125.511 1.757 . . . . 0.0 106.991 176.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.23 -31.96 22.88 Favored 'General case' 0 N--CA 1.427 -1.576 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 175.724 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -79.69 -23.21 42.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 111.043 -2.799 . . . . 0.0 108.677 176.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -92.21 -18.22 23.76 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 175.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.35 -24.17 25.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 111.644 -2.525 . . . . 0.0 106.792 175.471 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.21 -33.79 20.66 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 112.639 -2.073 . . . . 0.0 106.51 176.858 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.9 -17.38 43.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 111.687 -2.506 . . . . 0.0 107.746 175.392 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -88.28 -26.33 22.35 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 175.008 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.35 -38.0 27.38 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-N 112.638 -2.074 . . . . 0.0 107.391 176.656 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.47 -17.29 56.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 112.487 -2.142 . . . . 0.0 109.141 176.476 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.19 -29.97 18.9 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 104.587 -2.375 . . . . 0.0 104.587 175.245 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 tt -77.05 -40.94 44.45 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 112.539 -2.119 . . . . 0.0 106.644 174.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.54 -12.66 60.06 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 113.175 -1.83 . . . . 0.0 110.37 177.296 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.47 -26.64 61.89 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 124.834 1.254 . . . . 0.0 109.987 178.45 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 4.3 mp -80.64 -46.22 15.98 Favored 'General case' 0 CA--C 1.493 -1.219 0 CA-C-N 113.857 -1.52 . . . . 0.0 107.25 179.495 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.32 -21.94 64.73 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 112.601 -2.09 . . . . 0.0 107.293 174.482 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -76.6 -26.38 54.93 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 113.514 -1.676 . . . . 0.0 106.691 173.099 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.05 -38.7 10.52 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 113.706 -1.588 . . . . 0.0 109.105 175.782 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.65 -56.72 3.56 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 113.563 -1.653 . . . . 0.0 114.107 -178.591 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -43.41 27.39 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -176.551 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.3 -12.53 61.19 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -179.106 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -93.31 -12.85 29.06 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 122.299 0.24 . . . . 0.0 111.478 179.39 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 7.8 p30 49.67 -68.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 125.422 1.489 . . . . 0.0 114.357 179.643 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 82.9 m -96.35 119.02 34.07 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.894 0.378 . . . . 0.0 111.64 -179.364 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -148.73 -51.2 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.787 179.337 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 81.5 m -141.15 134.99 30.41 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.431 179.677 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -100.37 102.9 14.24 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.011 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 tp 48.11 -71.8 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 125.213 1.405 . . . . 0.0 113.75 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -113.67 156.58 23.49 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 122.457 0.303 . . . . 0.0 110.933 -179.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -92.81 144.45 25.27 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.994 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 83.6 m -98.71 -42.65 7.13 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.408 -179.734 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 53.4 m -121.9 141.48 51.24 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.37 0.419 . . . . 0.0 111.067 -179.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -129.13 130.59 46.62 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.757 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 65.4 mtt -128.47 -39.22 1.68 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.406 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.73 119.72 66.78 Favored Pre-proline 0 CA--C 1.541 0.614 0 O-C-N 123.442 0.464 . . . . 0.0 111.248 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.98 -72.01 0.03 OUTLIER 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 122.78 2.32 . . . . 0.0 113.996 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -117.21 -11.36 10.67 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.463 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -83.18 144.6 29.7 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.068 0.547 . . . . 0.0 111.786 -179.66 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 51.1 m 68.98 -30.37 0.19 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.419 1.088 . . . . 0.0 113.803 179.188 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -97.24 -68.9 0.78 Allowed 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.435 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -92.56 -9.72 40.18 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.378 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.95 -6.37 6.01 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.1 -65.71 0.97 Allowed 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 124.28 1.032 . . . . 0.0 108.836 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -55.85 -14.93 2.69 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 113.722 -1.581 . . . . 0.0 111.268 177.605 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -95.64 -39.55 9.85 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.0 1.32 . . . . 0.0 108.899 178.559 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -75.05 -12.97 60.44 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.44 177.095 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.05 -43.76 8.74 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 113.104 -1.862 . . . . 0.0 106.98 178.103 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.17 -18.67 65.49 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 113.121 -1.854 . . . . 0.0 109.649 175.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.07 -25.78 16.32 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 114.146 -1.388 . . . . 0.0 108.1 177.51 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -85.74 -10.69 55.18 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 114.204 -1.362 . . . . 0.0 109.344 178.651 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -94.44 -29.38 14.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 113.1 -1.864 . . . . 0.0 106.269 178.734 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -84.85 -28.81 25.79 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 112.516 -2.129 . . . . 0.0 106.589 175.255 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -86.36 -13.68 45.72 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 114.106 -1.407 . . . . 0.0 109.65 175.817 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 35.6 tp -81.02 -35.39 31.96 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.929 1.291 . . . . 0.0 111.089 179.09 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -18.6 42.53 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 111.579 -2.555 . . . . 0.0 106.894 177.414 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.73 -18.65 21.08 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 112.386 -2.188 . . . . 0.0 106.328 177.074 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.12 -38.97 14.94 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 112.663 -2.062 . . . . 0.0 105.519 175.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -75.58 -28.46 58.96 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 112.729 -2.032 . . . . 0.0 108.726 177.197 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -82.75 -16.53 47.6 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 174.06 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -92.21 -23.68 19.28 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 113.552 -1.658 . . . . 0.0 107.704 176.086 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -89.53 -15.71 32.34 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 113.741 -1.572 . . . . 0.0 107.619 176.607 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.99 -21.94 19.47 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 176.274 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.9 -36.38 23.38 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 112.762 -2.017 . . . . 0.0 106.396 176.133 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 7.9 tp -76.64 -28.79 56.19 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 111.924 -2.398 . . . . 0.0 108.094 176.185 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.81 -20.44 35.73 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 176.828 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -89.16 -33.2 17.13 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 112.875 -1.966 . . . . 0.0 107.892 176.611 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -85.25 -17.07 38.1 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.695 176.849 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.93 -59.54 4.9 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.164 178.056 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -82.2 -41.48 20.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.48 -1.236 . . . . 0.0 112.024 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.386 -179.871 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 22.6 mmt . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.831 0.348 . . . . 0.0 111.586 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.17 -1.23 11.9 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.11 0.564 . . . . 0.0 111.046 179.366 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.89 -43.81 9.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.184 -177.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -96.45 -54.09 3.38 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.449 -1.25 . . . . 0.0 110.281 -178.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -32.25 73.71 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 113.672 -1.604 . . . . 0.0 112.558 -178.858 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -92.64 -11.21 34.78 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 124.278 0.986 . . . . 0.0 110.126 178.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.57 -22.06 22.56 Favored 'General case' 0 C--O 1.226 -0.139 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 175.506 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.15 -28.98 16.74 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 111.893 -2.412 . . . . 0.0 106.912 177.743 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.61 -20.2 31.78 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 113.368 -1.742 . . . . 0.0 107.412 176.414 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.15 -29.91 17.96 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 106.144 -1.798 . . . . 0.0 106.144 175.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -81.18 -19.89 42.38 Favored 'General case' 0 CA--C 1.509 -0.621 0 O-C-N 125.459 1.724 . . . . 0.0 106.914 176.733 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.35 -34.81 28.32 Favored 'General case' 0 N--CA 1.421 -1.895 0 N-CA-C 105.44 -2.059 . . . . 0.0 105.44 175.332 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -78.35 -19.86 52.55 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 111.505 -2.589 . . . . 0.0 108.612 176.79 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -91.29 -17.75 25.45 Favored 'General case' 0 CA--C 1.495 -1.162 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 174.668 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -88.41 -23.93 23.19 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 111.373 -2.648 . . . . 0.0 107.268 175.392 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -89.48 -27.5 20.29 Favored 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 176.378 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.56 -18.07 32.43 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 111.522 -2.581 . . . . 0.0 107.683 175.221 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.17 -24.35 22.2 Favored 'General case' 0 C--N 1.348 0.516 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 175.046 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.22 -37.42 23.61 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 112.735 -2.029 . . . . 0.0 107.311 176.407 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.85 -20.96 52.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 112.344 -2.207 . . . . 0.0 109.001 176.324 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -30.18 21.4 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 175.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tt -72.83 -40.01 66.11 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 173.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.75 -19.52 62.02 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 113.258 -1.792 . . . . 0.0 110.601 177.681 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -70.07 -46.16 65.52 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-O 122.51 1.148 . . . . 0.0 108.12 177.053 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mp -56.42 -52.0 66.27 Favored 'General case' 0 C--O 1.204 -1.336 0 CA-C-N 111.405 -2.634 . . . . 0.0 109.023 177.689 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.48 -23.61 66.29 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 125.63 1.831 . . . . 0.0 108.442 175.931 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -79.95 -25.77 40.3 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.664 -1.607 . . . . 0.0 107.347 174.101 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.0 -32.19 13.27 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 114.288 -1.324 . . . . 0.0 108.833 175.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.86 -53.74 5.38 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 113.736 -1.575 . . . . 0.0 112.788 -179.848 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.55 -46.44 7.96 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -177.046 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.63 -7.95 51.0 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -178.057 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -90.73 -34.5 15.34 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.867 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 m120 71.87 -41.37 0.5 Allowed 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.335 1.054 . . . . 0.0 112.525 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 49.2 t -88.45 145.29 25.85 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 122.465 0.306 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.6 pt -101.98 -42.94 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.042 -179.48 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 42.6 t -91.53 137.92 31.98 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.404 0.44 . . . . 0.0 111.438 -179.545 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -128.73 151.29 49.71 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.695 179.803 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 pt -124.21 -46.08 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.916 -179.767 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -99.34 149.31 23.28 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.45 0.469 . . . . 0.0 111.241 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -124.74 151.7 44.74 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.626 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 80.5 m -97.8 -51.63 4.02 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.502 -179.695 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 17.0 t -138.54 -46.63 0.5 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.256 0.347 . . . . 0.0 111.086 -179.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -102.54 139.07 38.62 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.363 0.414 . . . . 0.0 110.929 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 9.6 ttt -99.43 126.92 45.44 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.379 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.57 158.58 37.0 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.239 -179.851 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -70.04 -177.04 1.77 Allowed 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.612 2.208 . . . . 0.0 112.562 179.639 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -78.43 -10.31 59.64 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -94.12 150.22 20.52 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.934 -179.707 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 64.7 p -126.09 -32.54 2.74 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.446 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -97.49 -42.33 7.76 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.674 -179.713 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -77.48 -7.5 56.33 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.179 179.202 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.46 -32.55 8.05 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.344 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 11.0 mp -96.16 -64.34 1.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.359 1.064 . . . . 0.0 111.173 -178.448 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -60.21 -15.62 26.02 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.764 179.382 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -94.68 -34.27 12.63 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.397 1.079 . . . . 0.0 108.451 178.322 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -76.5 -12.49 60.04 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 122.394 1.092 . . . . 0.0 108.611 175.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 tt -93.23 -45.51 7.82 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 112.529 -2.123 . . . . 0.0 106.462 178.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.52 -17.02 64.07 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 113.513 -1.676 . . . . 0.0 110.155 176.574 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.69 -23.95 18.04 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 177.254 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -79.87 -30.53 40.24 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 113.791 -1.55 . . . . 0.0 109.547 178.388 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -84.1 -29.73 26.54 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 126.372 1.869 . . . . 0.0 107.468 179.031 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -80.24 -25.83 39.36 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 174.539 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -76.73 -30.48 56.63 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 113.349 -1.75 . . . . 0.0 108.802 175.543 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.62 -48.18 81.87 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 123.746 1.736 . . . . 0.0 109.023 176.3 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -26.84 2.98 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-N 112.792 -2.004 . . . . 0.0 108.331 176.604 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.18 -35.29 8.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 112.675 -2.057 . . . . 0.0 112.551 176.385 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.57 -47.84 8.0 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.235 1.014 . . . . 0.0 110.062 -176.716 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -71.06 -25.72 62.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.279 -1.328 . . . . 0.0 108.21 176.52 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -80.22 -26.16 39.26 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 174.545 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.39 -22.01 30.62 Favored 'General case' 0 CA--C 1.51 -0.579 0 O-C-N 125.066 1.479 . . . . 0.0 108.144 176.624 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -86.05 -14.17 45.18 Favored 'General case' 0 C--N 1.341 0.237 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 175.145 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.3 -24.65 18.07 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 112.799 -2.0 . . . . 0.0 106.741 176.156 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -84.99 -30.23 24.37 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 106.138 -1.801 . . . . 0.0 106.138 175.678 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 14.4 tp -78.9 -31.52 45.4 Favored 'General case' 0 C--O 1.206 -1.234 0 CA-C-N 111.767 -2.469 . . . . 0.0 107.951 175.922 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -82.07 -20.31 38.47 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 177.082 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -87.48 -31.66 19.86 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 112.91 -1.95 . . . . 0.0 107.509 176.259 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -87.04 -16.15 36.5 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.827 176.324 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 9.3 tt -65.63 -60.08 3.28 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.218 178.672 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -82.15 -44.28 16.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.725 -1.125 . . . . 0.0 112.349 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.075 -0.964 . . . . 0.0 111.124 -179.991 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.881 0.372 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -122.72 -13.01 8.01 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.108 178.851 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.39 -15.74 28.5 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.209 1.403 . . . . 0.0 110.655 -178.78 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -92.58 -31.26 15.25 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 179.187 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.04 -24.95 26.18 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 112.88 -1.964 . . . . 0.0 108.199 177.134 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -87.68 -17.32 32.06 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 113.924 -1.489 . . . . 0.0 109.939 177.124 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.0 -21.83 23.3 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 106.185 -1.783 . . . . 0.0 106.185 176.591 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tt -88.65 -36.47 16.22 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 111.532 -2.576 . . . . 0.0 106.694 177.434 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.88 -20.72 52.46 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 113.116 -1.856 . . . . 0.0 108.065 176.311 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -28.77 19.42 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 176.136 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -80.85 -20.38 42.49 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 125.409 1.693 . . . . 0.0 106.815 176.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.22 -35.32 23.56 Favored 'General case' 0 N--CA 1.419 -1.976 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 175.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -78.86 -19.7 51.36 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 111.962 -2.381 . . . . 0.0 109.074 176.87 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.23 -19.39 24.22 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 174.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.78 -33.09 23.07 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 111.131 -2.759 . . . . 0.0 106.872 175.808 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -82.4 -27.12 32.22 Favored 'General case' 0 CA--C 1.49 -1.338 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 177.052 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.55 -19.25 35.99 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 112.107 -2.315 . . . . 0.0 107.265 175.383 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 tt -86.24 -38.57 17.46 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 113.72 -1.582 . . . . 0.0 106.84 175.532 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.04 -31.32 62.84 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 113.249 -1.796 . . . . 0.0 107.336 175.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.95 -19.25 44.57 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 112.916 -1.947 . . . . 0.0 109.017 175.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.03 -31.17 19.44 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 104.697 -2.334 . . . . 0.0 104.697 175.758 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tt -74.61 -42.75 58.08 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 112.713 -2.039 . . . . 0.0 106.139 175.071 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.34 -14.49 61.75 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 113.556 -1.657 . . . . 0.0 110.421 176.678 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.09 -28.41 48.71 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.558 1.143 . . . . 0.0 109.315 178.559 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tt -75.31 -46.49 33.05 Favored 'General case' 0 C--O 1.215 -0.722 0 C-N-CA 125.934 1.693 . . . . 0.0 107.693 179.094 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.6 -22.72 65.35 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 112.124 -2.307 . . . . 0.0 107.792 175.589 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -83.28 -36.49 24.45 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 113.039 -1.891 . . . . 0.0 107.666 174.257 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.71 -35.49 65.14 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 175.584 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.98 -45.71 63.57 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 112.469 -2.15 . . . . 0.0 109.643 176.882 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -37.8 74.15 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.574 178.753 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.3 -19.34 65.46 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 114.348 -1.296 . . . . 0.0 112.625 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 11.0 t-105 -93.82 -31.37 14.39 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.926 179.601 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 46.5 -86.5 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.932 1.293 . . . . 0.0 113.708 -179.867 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 83.4 m -146.38 -43.63 0.19 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.657 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.2 pp -92.07 153.09 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 123.318 0.386 . . . . 0.0 111.885 -179.375 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 49.5 t -113.97 -8.67 13.07 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.504 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 2.7 t70 66.01 154.36 0.08 Allowed 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.168 0.987 . . . . 0.0 111.839 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.5 pp -92.37 -30.56 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.024 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -88.75 -38.63 14.54 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.142 0.276 . . . . 0.0 111.438 179.357 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 18.4 m120 63.98 143.85 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.985 0.914 . . . . 0.0 112.424 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 25.3 p -97.8 -39.17 9.15 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.276 179.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 54.7 m -96.53 147.93 23.34 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.489 0.493 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -106.54 -8.82 16.85 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.732 -179.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 65.9 mtt -91.0 141.64 28.63 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.154 -179.853 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.79 113.66 24.74 Favored Pre-proline 0 CA--C 1.541 0.62 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.098 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -66.79 158.3 56.98 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.62 2.213 . . . . 0.0 112.95 179.589 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 5.9 mp -86.13 -16.17 38.78 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.938 -0.573 . . . . 0.0 112.16 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -92.66 109.47 20.89 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 123.092 0.557 . . . . 0.0 110.951 179.795 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 49.4 m -140.7 -75.35 0.33 Allowed 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.074 -179.676 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -98.55 -67.57 0.84 Allowed 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.531 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -92.15 -8.94 44.17 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -178.106 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.61 -7.52 15.66 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.426 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tt -96.68 -68.61 0.79 Allowed 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.713 0.805 . . . . 0.0 111.113 -178.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.23 -12.76 54.78 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 114.161 -1.382 . . . . 0.0 111.909 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -95.22 -37.91 10.8 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.328 1.051 . . . . 0.0 109.116 179.283 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 39.0 mttp -75.63 -12.87 60.29 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.91 0.862 . . . . 0.0 109.337 176.625 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 11.9 tp -93.52 -41.89 9.53 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 126.257 1.823 . . . . 0.0 106.989 178.026 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.52 -17.07 63.55 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 113.886 -1.506 . . . . 0.0 109.679 176.618 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.44 -26.36 17.25 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-N 114.214 -1.357 . . . . 0.0 108.184 177.717 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.76 -11.53 50.78 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 124.701 1.25 . . . . 0.0 109.374 178.68 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -95.63 -33.88 12.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.109 -1.859 . . . . 0.0 106.474 178.445 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.15 -29.84 34.6 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 112.36 -2.2 . . . . 0.0 107.439 176.257 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -82.88 -14.43 54.25 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.216 176.361 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.88 -23.13 24.05 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-O 122.151 0.977 . . . . 0.0 110.33 178.692 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.58 -18.71 23.65 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 112.313 -2.222 . . . . 0.0 105.978 178.187 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.45 -23.97 17.51 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 112.151 -2.295 . . . . 0.0 107.301 177.634 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.23 -40.5 17.99 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 175.85 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -70.74 -30.37 66.87 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 113.543 -1.662 . . . . 0.0 108.341 176.123 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.79 -26.59 49.8 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 174.591 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -84.93 -22.81 29.1 Favored 'General case' 0 CA--C 1.51 -0.575 0 O-C-N 125.024 1.453 . . . . 0.0 108.26 176.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -84.24 -14.41 50.03 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 174.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.29 -25.17 17.88 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 112.764 -2.016 . . . . 0.0 106.734 176.339 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -86.16 -29.49 23.22 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 175.808 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 8.4 tp -79.74 -30.64 40.92 Favored 'General case' 0 C--O 1.208 -1.131 0 CA-C-N 111.992 -2.367 . . . . 0.0 107.941 175.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.73 -20.38 36.1 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 176.856 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.16 -32.49 17.46 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 112.961 -1.927 . . . . 0.0 107.998 176.664 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -86.33 -18.14 32.71 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.857 176.714 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.73 -59.97 4.23 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.676 0.61 . . . . 0.0 112.351 178.486 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -87.95 -42.05 12.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.633 179.337 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.208 0 C-N-CA 124.459 1.104 . . . . 0.0 112.293 179.98 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 38.0 mmt . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 120.26 0.076 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -86.73 0.74 54.11 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.494 0.718 . . . . 0.0 111.472 -179.783 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.33 -16.07 26.51 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.905 1.282 . . . . 0.0 109.654 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -92.26 -47.32 7.27 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 179.245 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.04 -26.21 65.76 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 112.971 -1.922 . . . . 0.0 109.137 176.536 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -89.11 -16.68 30.91 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.999 1.437 . . . . 0.0 110.54 177.743 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.11 -23.26 23.73 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 106.783 -1.562 . . . . 0.0 106.783 177.169 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tp -91.56 -31.06 16.06 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 111.833 -2.439 . . . . 0.0 107.258 177.855 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.17 -21.0 36.74 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 113.425 -1.716 . . . . 0.0 107.711 176.121 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -29.24 18.62 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 176.211 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -81.01 -20.24 42.21 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 125.4 1.687 . . . . 0.0 106.799 176.716 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.87 -35.59 26.11 Favored 'General case' 0 N--CA 1.421 -1.894 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 175.59 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -79.06 -19.52 51.17 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 111.935 -2.393 . . . . 0.0 109.014 177.003 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -91.24 -18.28 24.66 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 174.918 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -84.86 -33.88 22.75 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 111.242 -2.708 . . . . 0.0 106.757 175.635 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -83.16 -26.92 30.46 Favored 'General case' 0 CA--C 1.491 -1.309 0 CA-C-N 113.556 -1.656 . . . . 0.0 106.812 177.278 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.17 -17.29 37.63 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 112.134 -2.303 . . . . 0.0 107.455 175.549 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 tt -84.57 -39.85 18.26 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 175.025 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.12 -31.66 58.75 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 112.961 -1.927 . . . . 0.0 107.949 176.774 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.0 -19.47 40.41 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 113.314 -1.767 . . . . 0.0 109.233 176.425 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.37 -32.92 19.34 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 104.534 -2.395 . . . . 0.0 104.534 175.731 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 tt -72.7 -45.69 57.51 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 112.727 -2.033 . . . . 0.0 106.08 174.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.07 -14.14 62.53 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 113.724 -1.58 . . . . 0.0 110.687 177.765 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.28 -24.53 39.97 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.605 1.162 . . . . 0.0 109.879 178.696 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 tt -85.95 -42.24 14.21 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 113.701 -1.59 . . . . 0.0 108.608 179.766 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.95 -26.72 60.64 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-N 112.986 -1.915 . . . . 0.0 108.351 177.068 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -84.02 -29.96 26.51 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 113.937 -1.483 . . . . 0.0 107.408 174.862 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.86 -40.03 69.27 Favored 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 174.744 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.12 -45.85 66.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 111.788 -2.46 . . . . 0.0 110.007 177.038 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -41.97 96.17 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.544 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.21 -6.27 56.22 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.758 -179.798 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.32 -42.78 9.13 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.064 0.228 . . . . 0.0 111.161 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 70.15 -51.72 0.64 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.456 1.102 . . . . 0.0 112.752 179.76 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 28.6 p 49.92 107.6 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.587 1.155 . . . . 0.0 113.011 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 tp -128.68 -33.04 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.25 -179.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 78.4 m -91.13 145.08 24.98 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.38 0.425 . . . . 0.0 111.042 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -96.58 -43.29 7.65 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.362 -179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 pp -111.31 128.37 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 O-C-N 123.286 0.366 . . . . 0.0 111.4 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -132.74 152.22 51.8 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -95.59 -42.93 8.17 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.904 179.821 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 49.1 t -116.69 125.96 52.49 Favored 'General case' 0 C--O 1.236 0.386 0 O-C-N 123.501 0.5 . . . . 0.0 110.561 179.814 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 15.3 t -129.76 -40.93 1.35 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.169 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 18.4 m120 71.59 -48.91 0.68 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.396 1.078 . . . . 0.0 112.175 -179.752 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 18.9 ptm -125.8 124.04 40.09 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.191 0.307 . . . . 0.0 110.878 179.65 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.82 105.16 35.46 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.071 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.7 160.02 51.28 Favored 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 122.646 2.23 . . . . 0.0 112.687 179.376 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 18.5 mt -91.14 -13.41 33.04 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.89 -179.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -79.53 113.96 18.08 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.119 0.568 . . . . 0.0 111.131 -179.829 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -135.61 -110.06 0.21 Allowed 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.942 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -98.8 -49.18 4.66 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.446 0.299 . . . . 0.0 111.606 -179.569 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -88.83 -8.15 54.86 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.059 -179.181 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.91 -12.3 15.2 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -179.076 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 tt -97.33 -69.79 0.74 Allowed 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.263 0.625 . . . . 0.0 111.348 -178.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.48 -13.08 37.0 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 114.565 -1.198 . . . . 0.0 112.238 -179.561 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -95.91 -40.4 9.32 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.453 1.101 . . . . 0.0 109.733 179.241 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -76.73 -12.15 59.95 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 121.751 0.786 . . . . 0.0 109.894 177.804 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.33 -43.81 8.61 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-N 113.392 -1.731 . . . . 0.0 106.728 177.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.19 -18.86 65.61 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 113.212 -1.813 . . . . 0.0 109.912 176.044 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.73 -26.36 17.04 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.354 177.736 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -86.26 -10.94 53.62 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.553 178.724 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -95.04 -29.86 14.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 113.221 -1.809 . . . . 0.0 106.216 178.009 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.4 -29.92 27.76 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 112.507 -2.133 . . . . 0.0 106.91 175.608 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -85.2 -13.92 48.45 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.553 175.856 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 tt -83.91 -37.36 22.46 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 124.92 1.288 . . . . 0.0 109.351 178.68 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -18.8 57.89 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 112.448 -2.16 . . . . 0.0 107.411 176.415 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.64 -19.79 20.14 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 112.564 -2.107 . . . . 0.0 106.72 177.435 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.59 -40.11 16.61 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 112.812 -1.995 . . . . 0.0 105.673 176.126 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -75.79 -27.33 57.96 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 113.035 -1.893 . . . . 0.0 108.502 177.092 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -82.76 -17.2 45.06 Favored 'General case' 0 C--N 1.345 0.411 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 174.261 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -92.22 -24.22 19.1 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 113.47 -1.695 . . . . 0.0 107.734 175.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -89.51 -14.55 34.97 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 113.767 -1.56 . . . . 0.0 107.715 176.731 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.02 -21.93 19.46 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 176.033 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.19 -36.09 23.06 Favored 'General case' 0 N--CA 1.426 -1.648 0 CA-C-N 112.586 -2.097 . . . . 0.0 106.284 176.174 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 12.6 tp -77.82 -27.68 50.1 Favored 'General case' 0 C--O 1.203 -1.353 0 CA-C-N 111.867 -2.424 . . . . 0.0 108.08 176.147 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.32 -19.71 35.7 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 176.507 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -88.83 -33.16 17.48 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 112.591 -2.095 . . . . 0.0 107.984 176.494 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -88.69 -16.75 31.54 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.423 -1.262 . . . . 0.0 110.481 177.263 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mt -57.89 -60.34 3.86 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.23 0.538 . . . . 0.0 112.372 178.756 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -89.95 -42.6 11.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.683 179.251 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.224 0 C-N-CA 124.416 1.086 . . . . 0.0 112.252 -179.859 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 63.3 mtt . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 111.317 0.117 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -83.62 -2.82 56.94 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 123.367 0.667 . . . . 0.0 111.76 -179.585 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.55 -16.19 27.54 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.8 1.24 . . . . 0.0 109.994 -179.503 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -92.89 -35.13 13.51 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.175 -1.375 . . . . 0.0 107.289 179.29 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.31 -25.22 36.63 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 113.01 -1.904 . . . . 0.0 108.348 177.199 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -89.31 -16.82 30.21 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.42 177.809 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -23.95 23.88 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 177.006 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp -90.32 -31.08 17.07 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 111.986 -2.37 . . . . 0.0 107.042 177.663 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.9 -19.35 37.52 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 113.454 -1.703 . . . . 0.0 107.986 176.232 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -22.22 19.2 Favored 'General case' 0 C--N 1.344 0.341 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 176.113 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -86.55 -22.19 26.47 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 113.007 -1.906 . . . . 0.0 106.405 176.011 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.24 -38.63 18.7 Favored 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 113.068 -1.878 . . . . 0.0 106.659 176.567 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -77.41 -16.83 58.62 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 112.62 -2.082 . . . . 0.0 108.37 176.921 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.9 -31.48 23.67 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 175.088 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -78.07 -33.26 50.92 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 110.75 -2.932 . . . . 0.0 107.918 176.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -82.32 -23.68 34.99 Favored 'General case' 0 CA--C 1.489 -1.375 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 177.217 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.24 -17.61 34.27 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 111.729 -2.487 . . . . 0.0 107.061 174.718 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -91.31 -26.35 18.99 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 176.157 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.89 -32.76 20.03 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 176.192 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -79.77 -14.95 58.35 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 113.047 -1.888 . . . . 0.0 109.355 176.052 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.31 -31.77 13.29 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 105.147 -2.168 . . . . 0.0 105.147 175.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 tt -76.78 -45.53 28.55 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 112.959 -1.928 . . . . 0.0 107.964 176.132 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.77 -12.71 60.23 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 114.275 -1.329 . . . . 0.0 111.14 178.772 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -26.41 53.22 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.116 0.967 . . . . 0.0 109.633 178.471 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.72 -46.05 16.14 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 113.073 -1.876 . . . . 0.0 108.295 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.33 -23.78 59.1 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 113.591 -1.641 . . . . 0.0 108.068 175.867 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -79.72 -22.43 43.34 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 174.082 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.43 -42.61 9.66 Favored 'General case' 0 N--CA 1.423 -1.807 0 CA-C-N 113.75 -1.568 . . . . 0.0 109.341 175.8 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.92 -52.93 5.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 113.614 -1.63 . . . . 0.0 113.959 -178.654 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.06 -41.95 18.02 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -176.299 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.11 -39.28 63.46 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -179.19 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 8.3 t-105 -93.72 -38.82 11.1 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.226 0.328 . . . . 0.0 111.551 -179.614 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 23.2 m120 64.74 136.25 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.952 0.901 . . . . 0.0 112.14 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 76.3 m -125.07 156.78 37.69 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.15 -179.787 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.96 116.03 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.955 179.909 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 81.3 m -126.87 -7.88 6.09 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.702 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -91.46 -38.14 12.74 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.536 -179.859 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 mp -94.98 -49.92 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 123.364 0.415 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -100.29 130.02 46.35 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.8 179.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -107.24 152.16 24.48 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 78.8 m -97.92 154.21 17.82 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.949 179.88 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 48.8 m -91.63 -42.29 10.27 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.518 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -106.04 123.16 47.55 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.397 0.435 . . . . 0.0 110.705 179.778 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 64.8 mtt -131.42 127.72 38.04 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.37 -48.96 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.713 0 CA-C-O 118.847 -0.597 . . . . 0.0 111.978 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -77.94 151.82 27.88 Favored 'Trans proline' 0 C--N 1.382 2.297 0 C-N-CA 122.355 2.037 . . . . 0.0 112.804 -179.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 23.8 mt -107.35 -13.09 15.19 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.821 -179.819 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -88.41 96.27 10.53 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.255 -179.351 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 13.4 t -156.95 -52.42 0.08 Allowed 'General case' 0 C--N 1.347 0.457 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.962 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -98.06 -70.88 0.71 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.013 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -92.63 -44.51 8.55 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.631 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.54 -6.43 5.16 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -179.185 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.3 tt -94.19 -64.15 1.11 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.0 1.32 . . . . 0.0 109.036 -179.536 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -60.5 -13.37 13.44 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 114.36 -1.291 . . . . 0.0 111.235 178.413 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -95.55 -38.73 10.29 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.785 1.234 . . . . 0.0 109.139 178.632 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -75.05 -13.64 60.51 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-O 121.954 0.883 . . . . 0.0 109.823 177.201 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 mp -93.24 -44.37 8.36 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-N 113.15 -1.841 . . . . 0.0 106.56 178.245 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.78 -17.91 64.96 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 113.268 -1.787 . . . . 0.0 110.081 176.32 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.6 -27.34 15.96 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 114.476 -1.238 . . . . 0.0 108.519 178.001 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.93 -11.4 50.75 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.924 179.353 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -94.34 -33.05 13.34 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 111.312 -2.676 . . . . 0.0 106.685 178.123 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -27.82 34.24 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 112.621 -2.081 . . . . 0.0 106.868 175.298 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -86.35 -14.5 43.33 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.572 176.319 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.02 -22.65 22.88 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-O 122.123 0.964 . . . . 0.0 110.075 178.463 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.89 -18.63 24.46 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 112.162 -2.29 . . . . 0.0 105.928 178.167 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.68 -24.74 17.03 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 112.203 -2.271 . . . . 0.0 107.34 177.365 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.98 -39.93 17.51 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 175.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -70.05 -31.39 68.98 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 113.689 -1.596 . . . . 0.0 108.179 175.869 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -77.48 -26.63 51.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 174.566 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.49 -19.8 30.66 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 125.011 1.444 . . . . 0.0 108.036 176.801 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -86.69 -14.23 43.12 Favored 'General case' 0 C--N 1.345 0.388 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 174.717 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.37 -24.5 18.07 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 112.568 -2.105 . . . . 0.0 106.785 176.258 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -86.03 -29.14 23.68 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 175.573 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.9 tp -80.72 -30.46 36.26 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 111.864 -2.425 . . . . 0.0 107.924 175.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.87 -19.99 36.4 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 176.778 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -86.15 -32.82 21.08 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 112.781 -2.009 . . . . 0.0 107.635 176.129 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -88.19 -16.41 33.38 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.259 -1.337 . . . . 0.0 110.191 176.79 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 55.7 tp -58.36 -59.64 5.03 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.128 178.78 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -89.75 -42.3 11.38 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.737 179.65 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.163 0 C-N-CA 124.458 1.103 . . . . 0.0 112.314 -179.792 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptt? . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 120.996 0.427 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -116.84 -4.3 11.6 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.012 0.525 . . . . 0.0 111.877 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.38 -43.57 9.16 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -177.86 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -96.06 -51.78 4.3 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.507 -178.43 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.98 -32.05 73.03 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 114.017 -1.447 . . . . 0.0 112.15 -178.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -90.43 -12.82 36.3 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.21 0.944 . . . . 0.0 110.175 178.566 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.19 -21.4 23.3 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 175.492 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tt -89.41 -36.39 15.5 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 111.382 -2.645 . . . . 0.0 106.733 177.661 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.04 -20.24 52.8 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 113.189 -1.823 . . . . 0.0 107.983 176.305 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -29.36 18.88 Favored 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 175.933 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -80.1 -21.03 43.75 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 125.536 1.772 . . . . 0.0 106.867 176.766 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.71 -35.16 26.96 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 175.788 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -78.01 -19.98 53.39 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 111.736 -2.484 . . . . 0.0 108.611 176.789 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -91.68 -17.6 25.23 Favored 'General case' 0 CA--C 1.494 -1.174 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 174.703 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -88.89 -22.95 22.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 111.483 -2.598 . . . . 0.0 107.433 175.485 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -90.17 -27.03 19.84 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 176.388 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.25 -17.87 29.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 111.274 -2.694 . . . . 0.0 107.606 175.353 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.95 -23.83 21.45 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 105.817 -1.92 . . . . 0.0 105.817 175.058 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.15 -37.81 25.64 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 112.828 -1.987 . . . . 0.0 107.384 176.27 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.49 -18.7 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 112.383 -2.19 . . . . 0.0 109.06 176.416 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.71 -30.76 18.85 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 104.415 -2.439 . . . . 0.0 104.415 175.687 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 tt -72.98 -42.49 63.25 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 112.819 -1.991 . . . . 0.0 105.977 174.549 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.77 -14.61 61.57 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 113.296 -1.775 . . . . 0.0 110.482 177.44 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.39 -26.83 52.17 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 124.531 1.132 . . . . 0.0 110.212 178.702 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.81 -28.37 33.18 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 125.558 1.543 . . . . 0.0 109.206 179.241 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -84.73 -22.95 29.51 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 111.724 -2.489 . . . . 0.0 106.58 176.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -86.24 -33.28 20.76 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 112.444 -2.162 . . . . 0.0 107.935 174.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.54 -35.12 65.49 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 174.782 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -43.02 75.4 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 112.096 -2.32 . . . . 0.0 109.688 176.365 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -73.7 0.15 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 114.518 -1.219 . . . . 0.0 113.386 -179.697 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.78 -48.2 15.29 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 113.164 -1.835 . . . . 0.0 114.796 -177.268 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 21.9 t-105 -73.55 -13.09 60.97 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -177.75 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -117.66 134.16 55.18 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.701 0.286 . . . . 0.0 111.061 179.258 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 78.2 m -110.61 161.88 15.28 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 tp -84.24 -21.64 8.29 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.484 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 82.0 m -94.88 155.1 16.92 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 179.82 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -91.49 125.46 36.24 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.159 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 pp -142.73 159.42 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.387 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -93.78 134.35 36.22 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -99.23 150.12 22.4 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.042 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 49.5 t -98.54 154.79 17.65 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 19.5 m 62.98 160.15 0.08 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.98 0.912 . . . . 0.0 112.297 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -86.41 137.33 32.65 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.259 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 18.8 ptp -97.11 151.85 19.36 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.358 -179.637 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.86 -44.76 0.28 Allowed Pre-proline 0 CA--C 1.544 0.725 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.329 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -71.62 156.01 58.21 Favored 'Trans proline' 0 C--N 1.381 2.281 0 C-N-CA 122.355 2.036 . . . . 0.0 112.77 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 19.0 mt -104.74 -19.31 13.97 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.27 -179.553 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -75.08 101.26 4.47 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.111 0.564 . . . . 0.0 111.719 -179.503 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 49.2 m -141.75 -69.43 0.37 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.914 -179.662 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -98.22 -70.92 0.71 Allowed 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -179.231 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -92.97 -35.33 13.35 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.917 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.34 -5.78 2.71 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -179.136 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 5.8 mt -90.86 -64.19 1.16 Allowed 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 124.183 0.993 . . . . 0.0 109.383 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -59.5 -13.25 8.24 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 114.513 -1.222 . . . . 0.0 110.73 177.188 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -95.41 -36.3 11.4 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.107 1.363 . . . . 0.0 108.706 178.504 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -74.19 -13.3 60.78 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 122.11 0.957 . . . . 0.0 109.273 176.155 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -93.19 -43.62 8.75 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 112.871 -1.968 . . . . 0.0 106.701 178.156 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.94 -18.51 65.39 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 113.069 -1.878 . . . . 0.0 109.855 176.009 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.99 -25.38 16.53 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.048 -1.433 . . . . 0.0 108.206 177.583 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -86.4 -10.83 53.52 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 114.233 -1.349 . . . . 0.0 109.159 178.55 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -94.37 -29.81 14.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.266 -1.788 . . . . 0.0 106.733 178.383 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -28.12 24.25 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 112.674 -2.057 . . . . 0.0 107.2 175.806 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -91.45 -13.61 31.97 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.449 -1.25 . . . . 0.0 109.797 176.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 26.5 tp -76.16 -40.11 53.33 Favored 'General case' 0 C--O 1.204 -1.339 0 C-N-CA 125.423 1.489 . . . . 0.0 111.169 178.904 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -16.55 54.9 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 112.208 -2.269 . . . . 0.0 107.898 178.617 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.18 -28.09 14.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 112.876 -1.965 . . . . 0.0 109.154 178.797 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.65 -38.79 12.87 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.34 -1.3 . . . . 0.0 107.562 178.128 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -71.77 -27.3 62.87 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 114.137 -1.392 . . . . 0.0 108.551 176.235 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -81.18 -19.07 44.14 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 174.012 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -92.72 -25.12 18.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 113.431 -1.713 . . . . 0.0 108.62 177.179 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -89.08 -15.89 32.86 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 113.963 -1.471 . . . . 0.0 108.165 177.196 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.84 -21.92 19.6 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 105.782 -1.932 . . . . 0.0 105.782 176.242 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.15 -36.49 24.71 Favored 'General case' 0 N--CA 1.428 -1.546 0 CA-C-N 112.87 -1.968 . . . . 0.0 106.368 176.099 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 9.0 tp -76.73 -29.21 56.09 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 111.928 -2.396 . . . . 0.0 108.014 176.21 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.66 -20.85 35.45 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 106.479 -1.675 . . . . 0.0 106.479 177.272 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -89.09 -33.24 17.18 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 113.105 -1.861 . . . . 0.0 108.059 176.321 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -84.34 -18.29 36.68 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.644 -1.162 . . . . 0.0 109.673 176.69 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -58.27 -60.05 4.36 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.222 178.254 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -92.23 -42.61 9.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.703 179.507 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.189 0 C-N-CA 124.32 1.048 . . . . 0.0 112.142 -179.781 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 120.827 0.346 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -118.4 0.12 11.57 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 122.998 0.519 . . . . 0.0 110.933 179.435 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.89 -42.58 9.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.775 -178.292 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -95.45 -61.11 1.52 Allowed 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.705 -179.328 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -31.44 66.45 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 113.418 -1.719 . . . . 0.0 112.428 -179.519 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -92.46 -11.93 33.41 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 124.151 0.907 . . . . 0.0 110.395 178.561 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.75 -21.69 22.54 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 175.532 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 tt -88.37 -40.75 13.31 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 111.133 -2.758 . . . . 0.0 106.273 177.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.76 -16.64 59.42 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 125.387 1.679 . . . . 0.0 107.92 176.282 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.73 -28.97 22.75 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 104.829 -2.286 . . . . 0.0 104.829 174.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -83.1 -19.84 36.0 Favored 'General case' 0 C--N 1.342 0.239 0 CA-C-N 112.842 -1.981 . . . . 0.0 107.65 177.242 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.33 -21.06 22.21 Favored 'General case' 0 CA--C 1.497 -1.096 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 175.527 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 15.7 t-105 -87.21 -24.2 24.51 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 111.124 -2.762 . . . . 0.0 108.189 176.317 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -92.13 -18.51 23.44 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 175.752 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.29 -23.26 26.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 111.989 -2.369 . . . . 0.0 106.876 175.525 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -34.33 19.6 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-N 112.626 -2.079 . . . . 0.0 106.327 176.831 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.7 -16.47 44.82 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 111.663 -2.517 . . . . 0.0 107.733 175.643 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.35 -24.79 21.88 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 174.73 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.56 -38.28 23.93 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 112.739 -2.028 . . . . 0.0 107.604 176.544 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -80.34 -18.04 50.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 112.376 -2.193 . . . . 0.0 109.292 176.722 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.44 -30.99 19.02 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 175.363 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.96 -43.65 62.04 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 112.566 -2.106 . . . . 0.0 106.107 174.582 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.85 -12.64 60.74 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 113.503 -1.681 . . . . 0.0 110.765 177.208 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.43 -23.66 34.73 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 124.88 1.272 . . . . 0.0 109.531 178.196 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 32.2 tp -78.9 -46.14 19.09 Favored 'General case' 0 C--O 1.215 -0.758 0 C-N-CA 126.059 1.744 . . . . 0.0 108.425 179.45 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -25.8 59.27 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 111.613 -2.54 . . . . 0.0 107.79 175.744 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.07 -21.49 39.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 113.949 -1.478 . . . . 0.0 107.256 174.766 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.9 -40.86 12.13 Favored 'General case' 0 N--CA 1.42 -1.936 0 CA-C-N 113.806 -1.543 . . . . 0.0 108.539 175.549 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.55 -56.23 4.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 113.089 -1.868 . . . . 0.0 113.313 -179.867 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -83.48 -56.44 3.74 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -177.167 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.15 -4.68 2.54 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 114.521 -1.218 . . . . 0.0 113.653 -178.82 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 23.6 t-105 -59.52 -46.82 87.73 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.758 0.423 . . . . 0.0 111.964 179.778 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -139.15 -57.28 0.6 Allowed 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.292 0.37 . . . . 0.0 111.068 179.676 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 24.9 p -145.37 157.7 43.98 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.292 0.37 . . . . 0.0 111.116 -179.796 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.2 pp -92.44 132.43 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.192 179.661 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 82.8 m -129.15 149.74 50.83 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.261 -179.736 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -106.38 -9.65 16.66 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.326 179.778 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pp -91.36 163.52 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.618 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -89.16 158.23 17.99 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.313 -179.846 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 64.45 125.44 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.996 0.918 . . . . 0.0 111.887 -179.773 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 82.4 m -103.49 155.01 18.83 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.055 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 45.4 p -92.46 -27.54 17.39 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.701 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -91.48 156.09 17.95 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.366 0.416 . . . . 0.0 111.07 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 86.4 mmm -90.15 135.35 33.72 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.29 -179.855 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.57 -44.56 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.704 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.35 -179.876 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.98 152.42 31.74 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 122.319 2.013 . . . . 0.0 112.734 -179.774 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 28.0 mt -110.76 -13.87 14.1 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.183 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -97.24 -64.17 1.07 Allowed 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.442 0.464 . . . . 0.0 111.245 -179.12 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 50.0 m -151.29 173.03 14.95 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.567 0.347 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.78 -36.6 21.6 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.919 179.73 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -85.38 -9.52 57.46 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.887 178.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.33 -5.89 0.14 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.617 1.167 . . . . 0.0 114.07 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -94.65 -68.77 0.78 Allowed 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 123.955 0.902 . . . . 0.0 109.989 -179.184 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -61.76 -12.29 16.27 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 113.991 -1.459 . . . . 0.0 111.824 178.7 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -95.6 -41.79 8.74 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 124.753 1.221 . . . . 0.0 109.491 179.027 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -75.26 -12.51 60.3 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.899 177.505 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 mp -93.25 -44.53 8.28 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 113.397 -1.728 . . . . 0.0 106.897 178.202 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.88 -18.9 65.65 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 113.246 -1.797 . . . . 0.0 109.932 176.355 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.23 -25.89 17.61 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 114.392 -1.276 . . . . 0.0 108.353 177.777 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -87.37 -12.97 44.75 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.692 178.907 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -94.9 -32.09 13.38 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 126.414 1.885 . . . . 0.0 106.479 178.254 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -30.43 38.1 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 112.527 -2.124 . . . . 0.0 107.124 175.655 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -85.48 -14.17 46.87 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.866 175.905 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 tt -85.07 -36.45 21.18 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 124.966 1.307 . . . . 0.0 109.462 178.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.27 -18.67 55.01 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 112.57 -2.105 . . . . 0.0 107.301 176.51 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.81 -18.33 21.31 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 112.601 -2.091 . . . . 0.0 106.741 177.247 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.44 -40.79 14.05 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 112.855 -1.975 . . . . 0.0 105.798 176.294 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -76.68 -27.37 55.53 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 113.121 -1.854 . . . . 0.0 108.782 177.444 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -82.86 -16.99 45.47 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 107.013 -1.476 . . . . 0.0 107.013 174.209 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.5 -23.57 19.06 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 113.45 -1.705 . . . . 0.0 107.737 176.235 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -90.11 -15.71 31.09 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 113.845 -1.525 . . . . 0.0 107.794 176.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.99 -21.55 19.7 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 176.281 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.25 -36.24 22.83 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 112.753 -2.022 . . . . 0.0 106.437 176.09 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 12.4 tp -76.63 -29.09 56.32 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-N 111.956 -2.383 . . . . 0.0 108.022 176.177 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.37 -20.04 34.97 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 177.071 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -89.02 -32.96 17.34 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 112.875 -1.966 . . . . 0.0 107.987 176.442 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -86.53 -17.91 32.89 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.134 176.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.59 -60.26 3.94 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.281 178.361 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -91.76 -42.28 10.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.706 179.353 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.13 0 C-N-CA 124.378 1.071 . . . . 0.0 112.257 -179.956 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 120.767 0.317 . . . . 0.0 111.581 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -114.8 -2.62 12.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 122.974 0.51 . . . . 0.0 111.306 179.553 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.28 -41.05 10.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.139 -177.675 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 5.2 tt -95.7 -60.74 1.59 Allowed 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.956 -179.076 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.58 -31.75 69.74 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 113.565 -1.652 . . . . 0.0 112.545 -179.302 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -93.14 -11.77 32.01 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.236 0.96 . . . . 0.0 110.314 179.3 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -24.59 22.71 Favored 'General case' 0 C--O 1.227 -0.101 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 175.599 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -93.76 -20.94 19.64 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 111.961 -2.381 . . . . 0.0 107.285 177.84 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.29 -19.22 23.2 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 175.888 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.67 -28.9 18.05 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 175.866 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -82.64 -18.33 41.48 Favored 'General case' 0 CA--C 1.51 -0.567 0 O-C-N 125.4 1.687 . . . . 0.0 106.932 176.626 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.53 -32.16 24.04 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 105.655 -1.98 . . . . 0.0 105.655 175.114 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 13.8 t-105 -81.12 -23.39 38.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 110.99 -2.823 . . . . 0.0 109.21 177.061 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.83 -23.96 22.69 Favored 'General case' 0 CA--C 1.494 -1.188 0 N-CA-C 105.854 -1.906 . . . . 0.0 105.854 175.827 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 tp -76.38 -38.82 55.21 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 111.777 -2.465 . . . . 0.0 106.81 175.171 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.39 -35.25 70.97 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 112.828 -1.987 . . . . 0.0 107.522 176.612 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.67 -26.09 54.43 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 111.931 -2.395 . . . . 0.0 107.909 176.012 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.23 -36.16 40.45 Favored 'General case' 0 CA--C 1.499 -1.017 0 O-C-N 125.288 1.618 . . . . 0.0 107.797 176.55 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.85 -30.98 62.96 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 111.714 -2.494 . . . . 0.0 106.697 175.018 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.19 -18.6 42.12 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 112.456 -2.156 . . . . 0.0 109.271 175.702 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.8 -40.45 20.4 Favored 'General case' 0 CA--C 1.491 -1.313 0 N-CA-C 104.081 -2.563 . . . . 0.0 104.081 174.344 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 tt -65.24 -43.89 89.92 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 110.735 -2.939 . . . . 0.0 107.058 174.845 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.71 -12.63 60.23 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 113.871 -1.513 . . . . 0.0 110.876 177.586 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.32 -27.29 47.17 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 124.364 1.065 . . . . 0.0 109.236 178.572 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -77.01 -46.4 23.96 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-N 113.773 -1.558 . . . . 0.0 107.884 179.544 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.5 -20.28 63.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 112.316 -2.22 . . . . 0.0 106.995 174.896 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -82.43 -26.11 33.03 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 113.107 -1.86 . . . . 0.0 107.236 173.756 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.67 -38.6 11.24 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 114.182 -1.372 . . . . 0.0 109.266 175.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 9.5 mp -87.49 -54.69 4.15 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 113.637 -1.62 . . . . 0.0 113.534 -178.841 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -43.68 23.3 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -176.812 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.58 -4.46 40.12 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.909 -179.53 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -65.46 -39.9 92.56 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 122.792 0.437 . . . . 0.0 111.783 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -100.66 99.42 9.98 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.111 0.481 . . . . 0.0 110.305 179.781 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 81.0 m -141.92 163.08 33.85 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.0 pp -84.08 -37.05 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.845 179.724 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 96.3 m -131.68 121.4 24.22 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 123.366 0.416 . . . . 0.0 110.426 179.268 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -132.48 149.87 52.26 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.202 -179.766 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.6 tp -115.0 149.89 17.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.287 179.773 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -95.56 114.52 26.29 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.056 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -139.14 -43.04 0.46 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.984 179.812 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 84.9 m -128.8 150.04 50.48 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.455 0.472 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 15.6 t -100.21 146.48 26.82 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.835 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -99.04 146.81 25.67 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.019 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 64.9 mtt -113.31 134.4 54.63 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.56 158.81 31.09 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.937 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -74.97 152.1 40.49 Favored 'Trans proline' 0 C--N 1.376 1.996 0 C-N-CA 122.406 2.071 . . . . 0.0 112.723 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -121.57 -11.46 8.67 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.6 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -93.82 -53.69 3.91 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.525 0.516 . . . . 0.0 111.239 -179.235 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 70.8 m -146.29 174.9 10.94 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.33 0.394 . . . . 0.0 111.225 -179.684 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -92.96 -35.12 13.47 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.665 179.811 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -77.33 -8.69 58.07 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.824 178.721 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.36 -6.78 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -179.796 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 37.3 tp -93.43 -68.04 0.82 Allowed 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.562 1.145 . . . . 0.0 108.998 -179.86 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.55 -11.54 4.89 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.84 177.441 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -95.03 -40.13 9.81 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 125.26 1.424 . . . . 0.0 109.137 178.716 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -73.16 -13.22 61.13 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 121.994 0.902 . . . . 0.0 109.635 176.707 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 6.3 mp -93.47 -43.7 8.6 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 113.168 -1.833 . . . . 0.0 106.653 177.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.09 -18.02 65.08 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 113.066 -1.879 . . . . 0.0 109.891 176.098 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.77 -24.76 16.95 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 114.292 -1.322 . . . . 0.0 108.169 177.821 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -86.71 -14.4 42.58 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 114.285 -1.325 . . . . 0.0 109.465 178.566 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -95.34 -31.14 13.57 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 126.209 1.804 . . . . 0.0 106.522 178.423 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -30.5 33.85 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 112.727 -2.033 . . . . 0.0 107.187 175.925 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -84.61 -14.05 49.83 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.365 -1.289 . . . . 0.0 109.516 175.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 tt -83.88 -38.55 20.98 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 125.07 1.348 . . . . 0.0 109.344 178.778 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.32 -17.64 56.28 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 112.417 -2.174 . . . . 0.0 107.4 176.815 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.21 -23.13 18.01 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 112.652 -2.067 . . . . 0.0 107.62 177.895 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.43 -40.01 16.9 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 176.106 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -73.3 -27.36 61.49 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 113.213 -1.812 . . . . 0.0 108.664 176.59 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -82.59 -17.56 44.37 Favored 'General case' 0 C--N 1.345 0.412 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 173.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -92.31 -24.23 19.02 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 113.41 -1.723 . . . . 0.0 107.75 176.251 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -89.43 -14.68 34.88 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 113.775 -1.557 . . . . 0.0 107.738 176.592 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.01 -22.18 19.31 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 176.078 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.16 -36.29 22.98 Favored 'General case' 0 N--CA 1.427 -1.622 0 CA-C-N 112.644 -2.071 . . . . 0.0 106.421 176.282 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 tp -78.06 -27.44 48.63 Favored 'General case' 0 C--O 1.205 -1.254 0 CA-C-N 111.965 -2.379 . . . . 0.0 108.174 176.201 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.96 -20.39 35.3 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 176.513 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -89.26 -31.98 17.61 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 112.762 -2.017 . . . . 0.0 107.896 176.502 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -86.89 -18.72 30.19 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 114.387 -1.279 . . . . 0.0 110.082 176.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -57.08 -60.14 4.04 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.546 178.636 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -82.94 -41.61 18.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.497 -1.229 . . . . 0.0 112.144 179.64 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.065 -0.969 . . . . 0.0 111.28 -179.827 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 87.4 mmm . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 111.275 0.102 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -82.68 -1.36 50.99 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.528 0.731 . . . . 0.0 111.633 -179.708 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.01 -17.32 25.25 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.912 1.285 . . . . 0.0 109.694 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -92.7 -37.16 12.54 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.937 -1.483 . . . . 0.0 107.349 179.415 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.75 -24.25 44.88 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 113.11 -1.859 . . . . 0.0 108.373 177.003 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -87.74 -18.13 30.12 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 113.726 -1.579 . . . . 0.0 109.841 176.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.46 -21.04 23.18 Favored 'General case' 0 C--O 1.227 -0.128 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 176.798 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tt -88.56 -35.95 16.63 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 111.638 -2.528 . . . . 0.0 106.598 177.267 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.9 -21.09 51.74 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 113.055 -1.884 . . . . 0.0 108.056 176.183 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -28.62 18.97 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 176.262 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -80.97 -20.2 42.41 Favored 'General case' 0 CA--C 1.51 -0.57 0 O-C-N 125.491 1.744 . . . . 0.0 106.81 176.716 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.95 -34.95 26.35 Favored 'General case' 0 N--CA 1.422 -1.87 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 175.735 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 13.8 t-105 -79.43 -20.1 48.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 111.788 -2.46 . . . . 0.0 108.95 176.816 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.72 -19.05 23.98 Favored 'General case' 0 CA--C 1.495 -1.173 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 175.016 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.18 -33.84 24.11 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 111.221 -2.718 . . . . 0.0 106.858 175.6 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -79.98 -26.92 39.73 Favored 'General case' 0 CA--C 1.489 -1.393 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 176.866 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.55 -16.82 38.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 111.689 -2.505 . . . . 0.0 107.243 175.009 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.4 -26.02 20.1 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 175.171 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.66 -29.7 22.3 Favored 'General case' 0 CA--C 1.5 -0.977 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 176.323 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.46 -19.13 36.41 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 112.62 -2.082 . . . . 0.0 109.099 175.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.25 -31.09 18.05 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 104.45 -2.426 . . . . 0.0 104.45 175.894 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.36 -46.56 48.42 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 112.648 -2.069 . . . . 0.0 105.801 174.451 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.02 -12.68 60.58 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 113.92 -1.491 . . . . 0.0 110.199 177.172 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.89 -29.93 23.28 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 124.587 1.155 . . . . 0.0 109.074 178.089 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -30.92 31.07 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 126.122 1.769 . . . . 0.0 109.432 179.798 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.69 -22.63 37.31 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 112.802 -1.999 . . . . 0.0 106.036 176.076 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -83.62 -35.92 24.27 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 111.979 -2.373 . . . . 0.0 108.067 174.865 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.24 -34.43 65.86 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 175.101 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.57 -46.45 63.48 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 112.183 -2.28 . . . . 0.0 109.467 176.421 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -41.33 99.04 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.957 179.29 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.46 -4.78 58.03 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 114.832 -1.077 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -75.5 -14.11 60.4 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.586 0.354 . . . . 0.0 111.84 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -95.43 -39.11 10.16 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.381 0.426 . . . . 0.0 111.176 179.705 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 25.4 p -97.46 160.05 14.55 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.958 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 tp -88.11 124.99 41.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 -179.803 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 49.6 t -137.56 153.51 49.94 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.746 179.932 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -97.52 131.94 43.66 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.964 179.905 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 pp -105.79 144.97 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.343 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -105.93 -38.53 6.3 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.42 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -94.31 150.24 20.48 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.335 0.397 . . . . 0.0 111.194 -179.71 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 26.2 p -126.7 21.23 7.06 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.405 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 46.7 p -89.14 157.25 18.36 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.487 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 19.1 m120 64.02 123.27 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.889 0.876 . . . . 0.0 111.712 -179.765 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 63.9 mtt -106.61 132.41 52.64 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.345 -179.654 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.88 160.04 61.2 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.452 179.506 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.05 145.9 31.82 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.056 1.837 . . . . 0.0 112.984 -179.827 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 28.6 mt -146.12 -7.37 0.55 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.751 -179.119 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -58.05 -40.53 81.19 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.539 0.736 . . . . 0.0 112.82 -178.245 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 70.8 m -119.53 165.81 13.93 Favored 'General case' 0 C--O 1.235 0.342 0 O-C-N 123.449 0.468 . . . . 0.0 110.998 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.56 -32.67 17.03 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.716 -179.748 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -84.15 -9.7 58.36 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.484 178.833 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.67 -11.33 34.4 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.884 0.874 . . . . 0.0 112.984 -179.893 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.1 tt -96.26 -65.27 0.98 Allowed 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 124.763 1.225 . . . . 0.0 109.778 -179.419 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -56.56 -15.79 4.95 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 114.241 -1.345 . . . . 0.0 112.334 179.458 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -95.18 -37.26 11.12 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.368 1.067 . . . . 0.0 108.501 178.227 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -78.45 -12.21 60.0 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 114.858 -1.064 . . . . 0.0 109.403 176.778 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 tt -93.14 -45.09 8.04 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 126.821 2.048 . . . . 0.0 106.51 178.896 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.24 -17.86 64.98 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 113.428 -1.715 . . . . 0.0 109.997 176.172 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.76 -25.8 17.26 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.5 -1.227 . . . . 0.0 108.398 177.726 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.02 -13.19 48.22 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.366 -1.288 . . . . 0.0 109.513 178.747 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -95.2 -30.86 13.79 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 126.191 1.797 . . . . 0.0 106.57 178.156 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -82.04 -31.84 30.75 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 112.593 -2.094 . . . . 0.0 107.25 176.003 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -83.81 -13.97 52.49 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.762 176.035 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tt -83.24 -39.41 20.94 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 125.044 1.338 . . . . 0.0 109.674 178.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.67 -17.48 57.65 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 112.555 -2.111 . . . . 0.0 107.478 177.034 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.43 -24.21 17.43 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 112.627 -2.079 . . . . 0.0 107.896 178.115 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.88 -39.74 17.89 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 176.321 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -72.56 -28.84 63.07 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 113.334 -1.757 . . . . 0.0 108.575 176.467 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -81.96 -17.43 47.03 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 173.948 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.41 -22.97 19.34 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 113.672 -1.604 . . . . 0.0 107.843 176.361 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -89.73 -15.89 31.51 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 113.854 -1.521 . . . . 0.0 107.711 176.718 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.94 -21.51 19.76 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 176.36 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.2 -35.97 23.12 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 112.84 -1.982 . . . . 0.0 106.356 175.945 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 14.6 tp -75.69 -30.41 59.34 Favored 'General case' 0 C--O 1.206 -1.216 0 CA-C-N 111.858 -2.428 . . . . 0.0 108.001 175.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.07 -20.06 35.66 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.321 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -88.16 -31.01 19.37 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 112.93 -1.941 . . . . 0.0 107.564 176.061 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -86.99 -18.73 29.97 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.264 -1.334 . . . . 0.0 109.845 176.792 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.6 -60.47 3.29 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.088 178.68 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -86.5 -43.06 13.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.844 179.515 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.248 0 C-N-CA 124.34 1.056 . . . . 0.0 112.281 -179.948 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 111.249 0.092 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -83.15 -0.04 47.4 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.308 0.643 . . . . 0.0 111.604 -179.562 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.51 -18.25 23.41 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.941 1.296 . . . . 0.0 109.592 179.679 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tt -90.76 -47.21 7.77 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 113.775 -1.557 . . . . 0.0 106.944 179.573 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.79 -24.01 64.35 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 113.145 -1.843 . . . . 0.0 108.766 176.084 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -84.53 -27.8 27.11 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.996 177.825 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -21.63 34.59 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 178.371 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -93.09 -17.46 23.78 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 112.0 -2.364 . . . . 0.0 106.405 176.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.66 -22.98 20.9 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 113.452 -1.704 . . . . 0.0 107.116 175.49 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -87.3 -33.53 19.19 Favored 'General case' 0 CA--C 1.493 -1.227 0 CA-C-N 113.42 -1.718 . . . . 0.0 106.592 175.907 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -78.18 -21.6 49.9 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 111.03 -2.805 . . . . 0.0 107.834 176.126 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.31 -33.36 23.94 Favored 'General case' 0 N--CA 1.435 -1.197 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 175.527 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 -79.15 -22.37 45.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 111.328 -2.669 . . . . 0.0 108.435 176.705 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.92 -31.31 22.22 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 176.554 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 tt -73.24 -40.21 64.84 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 111.195 -2.73 . . . . 0.0 106.459 176.052 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -34.09 75.54 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 113.192 -1.822 . . . . 0.0 107.262 175.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.36 -17.98 50.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 111.73 -2.486 . . . . 0.0 108.011 175.516 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -90.19 -25.47 20.62 Favored 'General case' 0 C--N 1.349 0.587 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 175.891 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.44 -28.66 23.38 Favored 'General case' 0 CA--C 1.5 -0.968 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 175.962 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.31 -19.48 33.68 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 112.298 -2.228 . . . . 0.0 108.845 175.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.54 -31.38 19.93 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 104.449 -2.426 . . . . 0.0 104.449 175.752 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 tt -73.33 -41.09 63.91 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 112.626 -2.079 . . . . 0.0 106.056 174.819 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.02 -13.56 60.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 113.479 -1.691 . . . . 0.0 110.256 176.859 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -31.46 24.96 Favored 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 124.469 1.107 . . . . 0.0 109.824 178.574 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -80.72 -26.96 37.06 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 126.031 1.732 . . . . 0.0 108.254 179.408 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.32 -33.12 43.46 Favored 'General case' 0 N--CA 1.426 -1.625 0 CA-C-N 110.593 -3.003 . . . . 0.0 106.835 176.626 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -79.02 -35.13 43.2 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 111.624 -2.535 . . . . 0.0 108.59 175.68 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.84 -33.03 63.96 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 175.405 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tt -70.23 -47.46 61.32 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 112.224 -2.262 . . . . 0.0 109.194 176.248 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -39.18 90.39 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.597 179.316 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.64 -15.35 59.25 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.222 179.583 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -93.99 -24.03 17.8 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.195 179.814 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 m120 63.33 117.7 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.946 0.898 . . . . 0.0 111.886 -179.844 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 81.1 m -131.42 146.52 52.3 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.797 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp 43.61 33.05 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 C-N-CA 124.651 1.18 . . . . 0.0 113.887 -179.93 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 74.8 m -120.97 -42.24 2.51 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.173 179.911 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -126.67 151.4 48.13 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.465 0.478 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.7 pp -112.11 -29.64 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.209 -179.843 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -92.88 -13.99 28.24 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.897 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -93.84 -43.56 8.53 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.205 0.316 . . . . 0.0 111.359 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 49.1 t -103.62 124.27 48.5 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 123.36 0.412 . . . . 0.0 110.585 179.937 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 43.1 p -133.69 -44.95 0.81 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.528 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 63.65 129.65 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.858 0.863 . . . . 0.0 111.764 -179.505 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.62 -56.58 2.64 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.672 -179.547 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -155.21 124.26 3.07 Favored Pre-proline 0 N--CA 1.471 0.575 0 CA-C-O 119.297 -0.382 . . . . 0.0 111.332 -179.823 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.76 165.7 31.73 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 122.438 2.092 . . . . 0.0 112.078 178.679 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 17.4 mt -89.73 -13.21 37.31 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.778 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -133.16 -74.36 0.49 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.318 -179.406 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 69.0 m -161.68 173.67 14.37 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.305 0.642 . . . . 0.0 110.333 179.802 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -78.54 -35.1 46.58 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.461 179.228 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.09 -8.6 45.35 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.968 178.743 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.08 -6.75 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -179.277 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 tt -94.5 -64.96 1.02 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.921 0.888 . . . . 0.0 109.023 179.544 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.1 -11.44 48.91 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.245 -1.343 . . . . 0.0 111.344 178.228 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -95.31 -40.94 9.28 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.726 1.21 . . . . 0.0 109.141 179.17 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -75.68 -12.37 60.18 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.442 176.893 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.99 -40.29 10.64 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 113.332 -1.758 . . . . 0.0 107.497 178.315 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.21 -18.43 63.17 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 112.643 -2.071 . . . . 0.0 109.515 176.196 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.46 -24.14 17.43 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 114.177 -1.374 . . . . 0.0 108.046 177.584 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -86.8 -14.66 41.57 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 114.242 -1.345 . . . . 0.0 109.586 178.477 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -95.24 -30.17 14.13 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 126.118 1.767 . . . . 0.0 106.596 178.392 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -30.24 28.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 112.614 -2.084 . . . . 0.0 107.327 176.03 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -85.26 -13.95 48.22 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.613 176.046 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 8.9 tp -81.35 -38.79 26.11 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.203 1.401 . . . . 0.0 110.423 179.012 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.78 -17.7 50.04 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 110.792 -2.913 . . . . 0.0 107.39 177.825 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.27 -24.46 17.44 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 112.743 -2.026 . . . . 0.0 107.365 177.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.26 -40.6 17.83 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 175.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -71.86 -29.18 64.1 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 113.454 -1.703 . . . . 0.0 108.246 176.376 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -77.88 -27.37 49.68 Favored 'General case' 0 C--N 1.344 0.357 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 174.393 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.33 -20.15 28.76 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 125.1 1.5 . . . . 0.0 108.146 177.149 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -87.24 -13.5 43.64 Favored 'General case' 0 C--N 1.344 0.333 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 174.903 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.02 -24.85 18.2 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 112.682 -2.054 . . . . 0.0 106.491 176.138 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -85.25 -30.71 23.59 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 175.703 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 tp -80.27 -29.23 38.3 Favored 'General case' 0 C--O 1.203 -1.359 0 CA-C-N 111.972 -2.376 . . . . 0.0 108.111 176.124 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.52 -20.35 36.87 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 176.748 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.01 -32.29 17.67 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 112.927 -1.942 . . . . 0.0 107.999 176.529 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -87.95 -16.85 32.69 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.177 176.924 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.12 -59.98 4.45 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.281 0.562 . . . . 0.0 112.515 178.796 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -83.92 -41.88 16.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.13 179.603 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.361 -179.851 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 121.532 0.682 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -127.91 -0.09 5.97 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.719 179.097 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.92 -51.1 5.37 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.41 -177.488 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tt -93.46 -47.15 6.99 Favored 'General case' 0 CA--C 1.508 -0.657 0 C-N-CA 125.39 1.476 . . . . 0.0 108.819 -178.055 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.69 -29.33 64.58 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 114.153 -1.385 . . . . 0.0 110.462 177.934 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -90.09 -15.7 31.16 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 124.678 1.236 . . . . 0.0 110.68 177.27 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -83.86 -33.25 24.88 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 123.634 1.683 . . . . 0.0 106.763 175.94 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -80.61 -32.09 36.48 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 109.406 -3.543 . . . . 0.0 107.954 177.132 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.28 -17.58 42.1 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 176.298 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.3 -28.93 21.97 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 104.948 -2.242 . . . . 0.0 104.948 175.008 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -83.11 -20.32 35.07 Favored 'General case' 0 C--N 1.345 0.4 0 O-C-N 125.703 1.877 . . . . 0.0 107.294 176.818 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -85.05 -29.34 25.01 Favored 'General case' 0 CA--C 1.493 -1.231 0 N-CA-C 104.758 -2.312 . . . . 0.0 104.758 174.931 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -81.92 -20.65 38.29 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 111.568 -2.56 . . . . 0.0 108.832 176.469 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.18 -19.06 24.66 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 174.887 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -83.8 -34.36 24.75 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 111.296 -2.684 . . . . 0.0 106.874 175.5 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -79.97 -27.44 39.71 Favored 'General case' 0 CA--C 1.489 -1.397 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 176.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.79 -16.27 39.34 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 111.633 -2.531 . . . . 0.0 107.316 175.334 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.12 -26.12 20.37 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 106.819 -1.549 . . . . 0.0 106.819 175.097 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.33 -29.9 21.23 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 113.752 -1.567 . . . . 0.0 106.793 176.446 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.68 -19.88 34.52 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 112.635 -2.075 . . . . 0.0 109.115 176.214 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -32.41 19.03 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 104.644 -2.354 . . . . 0.0 104.644 175.714 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 tt -71.9 -41.5 67.89 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 112.674 -2.057 . . . . 0.0 106.145 174.798 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.73 -13.55 60.62 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 113.321 -1.763 . . . . 0.0 110.8 176.963 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.35 -24.27 25.88 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 124.627 1.171 . . . . 0.0 110.431 179.002 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.46 -28.69 21.92 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 125.471 1.508 . . . . 0.0 107.986 179.364 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.61 -37.18 31.63 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 110.44 -3.073 . . . . 0.0 107.828 177.909 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -80.75 -25.23 38.13 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 113.003 -1.908 . . . . 0.0 108.058 174.927 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.01 -35.28 72.0 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 105.142 -2.17 . . . . 0.0 105.142 174.174 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.35 -48.42 17.38 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 110.868 -2.878 . . . . 0.0 111.93 177.202 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.03 -53.87 4.19 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -176.514 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.86 -10.74 51.44 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -177.15 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -93.48 -65.89 0.96 Allowed 'General case' 0 CA--C 1.536 0.415 0 O-C-N 122.861 0.1 . . . . 0.0 111.002 179.408 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -152.13 -91.27 0.05 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 122.329 0.251 . . . . 0.0 110.83 179.361 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 25.1 p -162.07 -51.39 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 122.682 0.393 . . . . 0.0 111.098 179.739 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 mp 55.59 75.21 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.801 0.84 . . . . 0.0 110.955 -179.476 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 48.8 t -143.77 -41.17 0.28 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.168 -179.91 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -93.68 -38.25 11.42 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.389 0.431 . . . . 0.0 111.777 -179.599 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 pp -91.54 115.27 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 O-C-N 123.388 0.43 . . . . 0.0 111.539 -179.836 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -131.37 149.54 52.51 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.778 179.871 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -127.21 127.1 43.92 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 48.5 m -128.72 119.62 24.95 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.701 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 47.2 p -137.36 -47.84 0.58 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.506 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -136.66 -25.15 1.14 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.631 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 19.8 mmt 64.84 17.29 10.93 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.737 0.815 . . . . 0.0 112.263 -179.541 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.89 -41.02 0.37 Allowed Pre-proline 0 CA--C 1.545 0.77 0 CA-C-O 118.715 -0.66 . . . . 0.0 112.694 -179.9 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.53 162.24 18.44 Favored 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 122.309 2.006 . . . . 0.0 113.482 -179.7 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 5.7 mp -82.13 -9.44 59.52 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.282 -179.606 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -91.94 16.08 11.8 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.727 -179.048 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 44.5 m -89.46 -170.8 2.98 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.859 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -96.79 -41.09 8.63 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.817 -179.447 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -79.81 -8.89 59.54 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.809 178.865 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.75 -6.66 42.55 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.17 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 6.7 tt -95.78 -69.69 0.74 Allowed 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 123.991 0.916 . . . . 0.0 111.122 -177.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.21 -12.95 14.83 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.257 -179.572 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -96.41 -42.73 7.97 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.405 1.082 . . . . 0.0 109.564 179.26 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -77.05 -12.06 59.89 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 124.055 0.847 . . . . 0.0 110.485 178.391 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -92.63 -44.32 8.64 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-N 113.695 -1.593 . . . . 0.0 106.999 178.093 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.39 -17.05 64.14 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 113.088 -1.869 . . . . 0.0 110.112 176.491 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -95.22 -25.96 16.16 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.621 -1.172 . . . . 0.0 107.969 177.258 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 53.4 tp -74.9 -41.24 60.12 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.225 1.41 . . . . 0.0 110.483 178.886 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -73.25 -32.68 64.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 112.607 -2.088 . . . . 0.0 108.261 177.51 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -75.74 -30.68 59.3 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 113.352 -1.749 . . . . 0.0 106.341 175.285 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -85.41 -14.64 45.63 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 113.56 -1.655 . . . . 0.0 110.196 175.684 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -90.05 -16.91 28.77 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 124.133 0.973 . . . . 0.0 110.138 179.018 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.6 -20.99 18.52 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 178.573 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.95 -20.92 18.98 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 111.838 -2.437 . . . . 0.0 107.374 178.256 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.62 -37.2 14.81 Favored 'General case' 0 C--N 1.346 0.42 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 176.437 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -75.03 -31.89 61.44 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 113.394 -1.73 . . . . 0.0 108.406 176.835 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -77.16 -25.68 52.19 Favored 'General case' 0 C--N 1.344 0.339 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 174.672 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -85.69 -21.72 28.19 Favored 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 125.088 1.493 . . . . 0.0 108.369 177.116 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -85.78 -14.0 46.49 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 175.066 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.24 -25.02 17.97 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 112.618 -2.083 . . . . 0.0 106.605 176.339 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -85.37 -30.64 23.47 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 175.792 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 13.5 tp -79.11 -30.49 43.78 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-N 112.065 -2.334 . . . . 0.0 108.195 176.031 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.7 -20.16 36.64 Favored 'General case' 0 CA--C 1.508 -0.641 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 176.893 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -89.04 -32.71 17.45 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 112.825 -1.989 . . . . 0.0 108.002 176.614 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -86.87 -17.02 34.32 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.082 176.804 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mt -58.51 -59.98 4.51 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.423 178.665 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -84.41 -41.94 16.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.651 -1.159 . . . . 0.0 112.16 179.757 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.066 -0.969 . . . . 0.0 111.315 -179.788 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.688 0.28 . . . . 0.0 111.519 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -112.57 -3.72 14.3 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.028 0.531 . . . . 0.0 111.311 179.743 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.28 -40.5 10.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.165 -177.59 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 tt -95.48 -62.55 1.28 Allowed 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.127 -178.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.33 -31.67 67.78 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 113.515 -1.675 . . . . 0.0 112.338 -179.619 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -91.7 -11.87 35.65 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 124.083 0.864 . . . . 0.0 110.292 178.598 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.91 -21.24 23.71 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 175.287 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tt -89.55 -36.82 15.12 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 111.277 -2.692 . . . . 0.0 106.552 177.791 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.96 -18.86 53.04 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 113.17 -1.832 . . . . 0.0 107.751 176.197 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -28.61 18.9 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 175.883 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -81.94 -18.2 44.4 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 125.56 1.788 . . . . 0.0 107.162 176.772 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.41 -31.34 22.95 Favored 'General case' 0 N--CA 1.429 -1.483 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 175.42 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 11.0 t-105 -82.17 -22.54 35.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 110.938 -2.846 . . . . 0.0 109.297 176.724 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -91.89 -19.34 22.59 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 175.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 tt -80.31 -39.24 29.1 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 111.567 -2.56 . . . . 0.0 105.624 175.09 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -34.62 68.54 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 112.641 -2.072 . . . . 0.0 107.998 176.184 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.52 -18.67 44.23 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 112.226 -2.261 . . . . 0.0 108.395 175.816 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 tp -82.25 -38.46 24.42 Favored 'General case' 0 CA--C 1.493 -1.231 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 175.859 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.02 -44.32 63.6 Favored 'General case' 0 C--O 1.204 -1.322 0 CA-C-N 111.64 -2.527 . . . . 0.0 106.0 174.661 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -68.66 -11.29 59.95 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 113.881 -1.509 . . . . 0.0 108.783 176.58 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.15 -34.89 10.97 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 174.544 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 mp -91.43 -55.06 3.65 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 113.463 -1.698 . . . . 0.0 111.893 179.057 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.25 -12.83 57.82 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -176.608 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.22 -23.89 17.7 Favored 'General case' 0 C--O 1.21 -1.001 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.288 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.46 -38.51 74.46 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 126.289 1.835 . . . . 0.0 108.287 177.583 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.97 -25.41 59.92 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 112.437 -2.165 . . . . 0.0 107.252 176.166 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -83.86 -33.57 24.8 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 112.5 -2.136 . . . . 0.0 108.268 175.71 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.14 -33.08 61.5 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 175.369 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -71.28 -45.11 63.87 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 112.325 -2.216 . . . . 0.0 109.376 176.462 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -41.44 81.35 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 114.669 -1.151 . . . . 0.0 113.476 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.08 -52.39 5.72 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -177.734 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 60.2 m95 -78.14 -40.09 39.06 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -177.856 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -90.57 -50.56 5.86 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.04 0.213 . . . . 0.0 111.446 -179.554 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 46.2 t 65.97 -63.34 0.23 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.324 1.05 . . . . 0.0 112.307 -179.96 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 1.7 pp -146.54 -35.02 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 45.4 t -109.98 151.23 27.4 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.268 0.355 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -107.99 132.66 53.29 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.567 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 pp -140.73 135.51 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.237 179.775 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -104.22 118.46 36.7 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -138.79 -43.44 0.48 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.015 179.863 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 82.1 m -102.64 160.97 14.1 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.433 0.458 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 52.6 m -87.07 127.78 35.11 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -110.35 161.19 15.88 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.748 -179.789 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 4.8 mmt -84.95 -2.38 57.82 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.827 179.895 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.19 150.6 43.52 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.859 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -54.98 159.76 9.0 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 123.016 2.477 . . . . 0.0 113.748 -179.879 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 53.8 mt -126.34 -9.2 6.37 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.199 -179.395 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -58.55 -39.89 81.5 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.247 0.619 . . . . 0.0 112.641 -179.201 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 62.1 m -133.08 167.96 19.37 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 123.412 0.445 . . . . 0.0 111.182 179.858 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -87.68 -35.2 18.11 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -78.09 -8.69 58.55 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.644 178.594 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.64 -8.0 0.08 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -179.456 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 tt -94.62 -61.24 1.54 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.441 1.097 . . . . 0.0 108.77 179.544 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.03 -12.71 28.15 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 114.267 -1.333 . . . . 0.0 110.502 177.645 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -95.15 -35.94 11.68 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.134 1.374 . . . . 0.0 108.711 178.581 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -74.89 -14.28 60.64 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-O 122.121 0.963 . . . . 0.0 109.206 176.513 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -93.44 -43.17 8.88 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 112.869 -1.969 . . . . 0.0 106.464 177.827 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.02 -19.1 65.83 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 113.037 -1.892 . . . . 0.0 109.689 176.091 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.34 -26.0 16.75 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 114.224 -1.353 . . . . 0.0 108.31 177.952 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -86.86 -10.66 52.89 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.536 178.741 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -94.91 -30.43 14.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 112.942 -1.935 . . . . 0.0 105.916 178.254 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -31.67 27.38 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 112.35 -2.204 . . . . 0.0 106.979 175.899 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -81.5 -13.81 57.7 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.272 -1.331 . . . . 0.0 109.129 175.753 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 13.7 tp -82.87 -32.42 27.42 Favored 'General case' 0 C--N 1.346 0.414 0 C-N-CA 125.166 1.387 . . . . 0.0 110.484 178.565 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.27 -18.43 39.12 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 127.241 2.217 . . . . 0.0 106.689 177.484 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.46 -19.4 20.6 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 112.294 -2.23 . . . . 0.0 106.4 177.046 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.48 -39.28 15.32 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 112.711 -2.04 . . . . 0.0 105.621 175.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -75.77 -27.41 58.04 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 113.106 -1.861 . . . . 0.0 108.473 176.762 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -82.15 -17.2 47.19 Favored 'General case' 0 C--N 1.347 0.472 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.023 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -91.44 -24.49 19.69 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 113.471 -1.695 . . . . 0.0 107.627 176.051 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -89.15 -15.53 33.59 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 113.573 -1.649 . . . . 0.0 107.722 176.625 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.95 -21.62 19.69 Favored 'General case' 0 CA--C 1.509 -0.635 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 176.208 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.83 -35.78 23.98 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 112.697 -2.047 . . . . 0.0 106.232 175.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 tp -76.97 -29.05 55.36 Favored 'General case' 0 C--O 1.207 -1.18 0 CA-C-N 111.849 -2.432 . . . . 0.0 107.974 175.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.58 -20.39 36.6 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 176.9 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -89.11 -32.43 17.52 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 112.855 -1.975 . . . . 0.0 107.834 176.339 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -84.76 -20.0 31.76 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.723 176.856 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.89 -59.94 4.31 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.13 178.266 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -90.25 -42.33 11.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.623 179.452 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.214 0 C-N-CA 124.348 1.059 . . . . 0.0 112.213 -179.932 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' p' p ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 111.272 0.101 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' p' p ' 2' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -89.12 -2.04 58.36 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 123.272 0.629 . . . . 0.0 111.487 -179.882 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.49 -15.83 28.19 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.975 1.31 . . . . 0.0 110.104 -179.355 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -92.57 -34.58 13.97 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.168 -1.378 . . . . 0.0 107.33 179.176 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.57 -24.04 34.16 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 113.015 -1.902 . . . . 0.0 108.302 177.115 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' p' p ' 6' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -89.07 -17.29 29.6 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.874 177.65 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -24.72 22.61 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 176.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' p' p ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -93.44 -19.1 21.59 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 112.302 -2.226 . . . . 0.0 107.226 177.252 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.05 -21.3 21.31 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 175.913 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.59 -29.76 17.62 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 113.067 -1.878 . . . . 0.0 106.122 176.169 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' p' p ' 11' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -81.93 -19.11 41.42 Favored 'General case' 0 CA--C 1.509 -0.609 0 O-C-N 125.33 1.644 . . . . 0.0 106.825 176.649 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.5 -34.94 27.79 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 105.397 -2.075 . . . . 0.0 105.397 175.041 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' p' p ' 13' ' ' TRP . . . . . . . . . . . . . 12.8 t-105 -79.25 -19.93 49.43 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 111.767 -2.47 . . . . 0.0 108.905 176.916 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.64 -19.04 24.1 Favored 'General case' 0 CA--C 1.495 -1.159 0 N-CA-C 105.468 -2.049 . . . . 0.0 105.468 174.84 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.59 -33.2 23.42 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 111.317 -2.674 . . . . 0.0 106.943 175.643 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -80.88 -27.1 36.44 Favored 'General case' 0 CA--C 1.487 -1.463 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 176.772 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.39 -17.52 39.08 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 111.72 -2.491 . . . . 0.0 107.027 174.891 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.01 -27.89 19.45 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 175.174 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.32 -29.04 28.62 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 176.185 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' p' p ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.6 -19.5 35.4 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 112.29 -2.232 . . . . 0.0 109.078 175.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' p' p ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -31.64 19.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 104.352 -2.462 . . . . 0.0 104.352 175.765 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' p' p ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.24 -44.62 62.61 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 112.739 -2.028 . . . . 0.0 106.373 174.406 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' p' p ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.85 -13.58 62.09 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 112.529 -2.123 . . . . 0.0 110.686 177.036 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.21 -27.89 32.3 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 124.514 1.126 . . . . 0.0 109.138 178.425 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' p' p ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 tt -78.73 -41.26 31.32 Favored 'General case' 0 CA--C 1.516 -0.327 0 C-N-CA 126.494 1.918 . . . . 0.0 108.377 179.75 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -74.32 -22.25 59.34 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 112.549 -2.114 . . . . 0.0 107.011 175.653 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -83.28 -35.5 25.24 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 112.831 -1.986 . . . . 0.0 107.911 174.477 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.39 -35.6 71.11 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 174.928 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mp -70.51 -47.95 57.96 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 112.106 -2.316 . . . . 0.0 109.878 176.437 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -38.77 78.32 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 113.935 -1.484 . . . . 0.0 111.442 179.283 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' p' p ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.42 -6.2 50.64 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 114.469 -1.241 . . . . 0.0 112.194 179.353 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 32' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -91.88 -47.84 7.1 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 179.665 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 33' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 62.06 153.06 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.112 0.965 . . . . 0.0 112.346 179.568 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 34' ' ' CYS . . . . . . . . . . . . . 81.6 m -92.68 -39.26 11.38 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.243 179.868 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 tp -98.23 146.79 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 O-C-N 123.5 0.5 . . . . 0.0 110.452 179.777 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 36' ' ' CYS . . . . . . . . . . . . . 81.3 m -98.37 122.6 41.75 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 123.602 0.564 . . . . 0.0 111.077 -179.874 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -134.85 -46.14 0.73 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.021 179.844 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 38' ' ' ILE . . . . . . . . . . . . . 3.6 tp -141.52 147.66 21.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.6 179.904 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 39' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 63.37 129.87 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.942 0.897 . . . . 0.0 112.107 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 40' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -130.45 -33.64 1.65 Allowed 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.595 -179.796 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 41' ' ' CYS . . . . . . . . . . . . . 82.3 m -88.92 -0.47 57.42 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.632 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 42' ' ' SER . . . . . . . . . . . . . 43.9 m -90.74 -27.92 18.62 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.7 -179.927 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 43' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -93.46 157.08 16.39 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 123.356 0.41 . . . . 0.0 111.337 -180.0 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 44' ' ' MET . . . . . . . . . . . . . 64.6 mtt 63.17 114.64 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.983 0.913 . . . . 0.0 112.192 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.48 -51.05 0.02 OUTLIER Pre-proline 0 CA--C 1.544 0.73 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.673 179.476 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 46' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.76 164.5 23.05 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 122.452 2.101 . . . . 0.0 112.585 179.713 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 47' ' ' LEU . . . . . . . . . . . . . 18.2 mt -92.3 -11.13 36.0 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.839 179.839 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 48' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -121.97 118.12 28.05 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.531 -179.263 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 49' ' ' SER . . . . . . . . . . . . . 64.8 m -129.85 -22.32 2.94 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.451 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -98.05 -39.66 8.81 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.722 179.852 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -92.0 -8.55 45.76 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.472 -179.802 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.25 -15.75 14.41 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.9 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 53' ' ' LEU . . . . . . . . . . . . . 7.5 mt -97.05 -69.9 0.74 Allowed 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.335 0.654 . . . . 0.0 111.847 -178.698 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 54' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -61.41 -12.73 15.59 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.16 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 55' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -95.98 -41.9 8.54 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.301 1.04 . . . . 0.0 109.674 178.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 56' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -75.89 -12.69 60.2 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.931 177.752 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.53 -45.71 7.63 Favored 'General case' 0 CA--C 1.497 -1.067 0 C-N-CA 125.956 1.703 . . . . 0.0 106.861 178.399 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.29 -16.71 63.85 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 113.619 -1.628 . . . . 0.0 110.097 176.495 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.82 -27.05 15.95 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.554 177.604 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' p' p ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -88.33 -12.99 41.86 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.908 179.315 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 61' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -94.95 -32.23 13.28 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 126.205 1.802 . . . . 0.0 106.708 178.507 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 62' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -30.39 36.16 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 112.658 -2.064 . . . . 0.0 107.277 175.859 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' p' p ' 63' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -88.29 -14.47 38.24 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.906 176.675 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.04 -29.07 22.21 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 124.43 1.092 . . . . 0.0 110.98 179.641 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' p' p ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -18.69 31.06 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 112.959 -1.928 . . . . 0.0 106.553 177.795 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' p' p ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.59 -21.52 18.19 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 112.656 -2.066 . . . . 0.0 108.118 177.941 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.79 -42.52 10.06 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 177.003 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' p' p ' 68' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -72.73 -27.41 62.03 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.044 -1.435 . . . . 0.0 109.637 176.81 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -79.99 -18.99 48.85 Favored 'General case' 0 C--N 1.345 0.378 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 174.036 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 70' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -93.24 -25.93 17.58 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 113.457 -1.701 . . . . 0.0 108.855 177.016 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -88.42 -16.36 33.06 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 114.341 -1.299 . . . . 0.0 108.576 177.744 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.94 -21.22 19.93 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 176.048 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.03 -37.16 22.49 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-N 112.913 -1.949 . . . . 0.0 106.645 176.212 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' p' p ' 74' ' ' LEU . . . . . . . . . . . . . 6.8 tp -78.24 -28.11 47.77 Favored 'General case' 0 C--O 1.204 -1.306 0 CA-C-N 111.963 -2.381 . . . . 0.0 108.32 176.586 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.45 -20.44 34.06 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 177.314 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' p' p ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.1 -31.66 17.91 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 112.97 -1.923 . . . . 0.0 107.938 176.218 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' p' p ' 77' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -87.01 -19.44 28.68 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.222 177.007 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mt -59.45 -60.61 3.58 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.453 178.731 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' p' p ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -43.06 9.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.851 179.462 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' p' p ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.18 0 C-N-CA 124.379 1.071 . . . . 0.0 112.204 -179.913 . . . . . . . . 0 0 . 1 stop_ save_