data_2lrh_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 2lrh _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.507 ' HD3' HD13 ' A' ' 54' ' ' ILE . 23.2 ttmm . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 108.69 -0.856 . . . . 71.45 108.69 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.42 ' HG2' ' HD2' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -110.08 145.27 37.39 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.627 0.771 . . . . 74.52 109.074 -176.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.416 HD13 HD12 ' A' ' 45' ' ' LEU . 4.4 mm? -126.84 115.02 18.69 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.595 1.158 . . . . 75.53 109.11 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.0 tt -110.36 123.29 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 109.136 -0.69 . . . . 74.35 109.136 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.493 ' HB3' HD22 ' A' ' 64' ' ' LEU . 5.9 mp -103.36 120.18 40.3 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.132 0.973 . . . . 75.53 108.436 -178.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.47 HG21 HD13 ' A' ' 18' ' ' ILE . 2.0 mp -100.56 135.02 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 108.319 -0.993 . . . . 75.31 108.319 175.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -116.05 108.98 16.89 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 107.959 -1.126 . . . . 74.33 107.959 173.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 t -147.66 137.29 22.64 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 122.779 0.432 . . . . 65.25 109.912 171.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -92.36 -7.3 48.18 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.334 0.654 . . . . 64.1 110.891 172.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -80.21 97.2 6.83 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 109.23 -0.656 . . . . 63.23 109.23 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -44.51 -48.57 10.16 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.578 1.551 . . . . 73.45 112.96 178.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.25 -36.04 82.91 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.001 -0.999 . . . . 75.41 111.013 -175.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.542 HD13 ' HB2' ' A' ' 110' ' ' ASP . 49.5 tp -68.0 -42.15 81.15 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 119.311 -0.376 . . . . 74.32 110.338 176.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.567 HG21 HG21 ' A' ' 57' ' ' ILE . 73.3 mt -51.56 -45.37 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 123.375 0.67 . . . . 74.14 110.601 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -67.99 -38.19 82.37 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.679 -0.691 . . . . 73.22 112.071 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.405 ' HE2' HD13 ' A' ' 114' ' ' LEU . 57.3 mtpt -63.42 -38.01 89.49 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 122.946 0.498 . . . . 74.44 110.925 177.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.545 ' O ' HG21 ' A' ' 22' ' ' VAL . 87.2 mt -63.83 -49.79 80.41 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 108.452 -0.944 . . . . 74.1 108.452 177.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.532 ' HE3' HG22 ' A' ' 15' ' ' ILE . 95.5 mttt -52.76 -42.69 65.21 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 124.053 0.845 . . . . 72.51 111.346 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -57.61 -51.13 70.74 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 123.916 0.76 . . . . 74.42 110.445 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 33.3 mm-40 -56.92 -43.61 81.6 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 124.007 0.817 . . . . 74.35 111.776 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.55 HG23 HD22 ' A' ' 55' ' ' LEU . 58.8 t -69.51 -33.35 56.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.999 0.919 . . . . 72.0 110.622 -175.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 15.3 mm-40 -73.01 -30.15 63.55 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.204 0.602 . . . . 74.11 110.892 174.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -69.01 -35.25 76.45 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.264 0.626 . . . . 74.14 110.197 176.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.542 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 61.5 mm-40 -85.67 -26.59 25.87 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.815 -0.63 . . . . 72.01 110.948 -178.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.441 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . 98.2 8.69 54.89 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 115.818 -0.628 . . . . 72.35 113.683 178.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.51 ' HB2' HG11 ' A' ' 22' ' ' VAL . 2.0 m-85 -76.57 162.47 27.74 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 117.374 0.587 . . . . 73.13 110.384 178.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.575 ' HB2' HG13 ' A' ' 54' ' ' ILE . 19.7 mm-40 -94.54 112.82 24.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.106 0.562 . . . . 73.35 109.984 -173.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.479 HG12 ' HG2' ' A' ' 19' ' ' LYS . 34.8 t -79.72 124.36 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 C-N-CA 122.847 0.459 . . . . 70.43 109.878 176.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -131.68 128.57 39.27 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.611 -0.885 . . . . 75.2 108.611 167.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -92.93 135.95 33.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.198 0.999 . . . . 73.14 109.857 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.489 HG11 ' HB3' ' A' ' 38' ' ' LEU . 92.1 t -126.79 119.23 52.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 N-CA-C 107.762 -1.199 . . . . 75.13 107.762 171.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -135.68 15.81 3.37 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.047 0.939 . . . . 74.34 109.185 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -152.37 146.01 25.01 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 124.27 1.028 . . . . 74.42 108.837 -173.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.408 ' HA ' HD23 ' A' ' 63' ' ' LEU . 66.7 p -71.88 -26.2 62.25 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.822 0.849 . . . . 62.25 112.532 -172.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -83.26 -31.11 27.12 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.881 0.473 . . . . 75.34 110.444 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.469 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 41.0 mm-40 -63.19 -38.35 90.81 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.555 0.576 . . . . 64.41 112.555 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.506 ' HB2' ' SD ' ' A' ' 67' ' ' MET . 3.5 pp -65.83 -39.67 91.03 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 111.772 0.286 . . . . 75.25 111.772 -175.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -75.25 -24.34 57.62 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.75 0.42 . . . . 75.13 110.72 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HD3' ' HA ' ' A' ' 37' ' ' GLU . 57.9 mtpt -65.77 -52.83 47.68 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 108.53 -0.915 . . . . 74.3 108.53 168.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.533 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 41.0 mm-40 -57.9 -44.0 86.47 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 115.58 -0.736 . . . . 74.12 112.129 -176.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 33.9 mmt -55.14 -35.41 64.68 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.091 0.556 . . . . 73.45 111.841 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -75.73 -42.19 51.35 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.787 -0.642 . . . . 73.41 110.278 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.433 ' N ' ' HE2' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -57.82 -41.14 81.6 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.248 0.619 . . . . 73.43 110.382 178.778 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 64.1 mt -65.29 -40.06 93.37 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.332 1.053 . . . . 74.3 111.06 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.46 -39.92 70.66 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.589 -0.732 . . . . 73.45 111.239 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -72.82 -35.66 67.35 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.605 0.762 . . . . 73.42 111.366 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -105.45 111.63 24.41 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.265 0.626 . . . . 73.2 109.788 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -97.16 -66.7 0.89 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.243 0.617 . . . . 73.35 110.227 -173.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -81.97 83.35 7.28 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 115.194 -0.912 . . . . 65.34 110.868 -171.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.463 ' CZ ' HD12 ' A' ' 54' ' ' ILE . 2.2 p90 -167.32 -178.56 4.1 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 125.064 1.346 . . . . 75.33 107.608 166.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.441 ' HG2' ' HA ' ' A' ' 27' ' ' TYR . 10.3 tp10 -54.5 151.35 7.93 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.471 1.108 . . . . 75.12 112.816 -175.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.42 ' HD2' ' HG2' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -75.34 147.26 40.25 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.327 0.651 . . . . 74.05 110.609 174.594 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.575 HG13 ' HB2' ' A' ' 28' ' ' GLN . 2.0 mp -102.32 144.2 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 115.501 -0.772 . . . . 64.03 110.941 -165.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.55 HD22 HG23 ' A' ' 22' ' ' VAL . 6.1 tt -113.83 116.46 29.36 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.842 1.257 . . . . 70.22 108.028 173.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 30.5 mm -98.15 129.67 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.213 -1.032 . . . . 74.23 108.213 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.567 HG21 HG21 ' A' ' 15' ' ' ILE . 56.3 mt -109.45 139.3 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 108.591 -0.892 . . . . 73.45 108.591 170.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.504 ' HB3' HD23 ' A' ' 64' ' ' LEU . 32.4 t -149.5 163.59 37.38 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.957 0.903 . . . . 75.21 109.652 174.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -113.7 -13.89 12.64 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.201 1.0 . . . . 73.15 110.711 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -113.62 132.78 55.62 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.955 0.902 . . . . 71.33 110.017 -172.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.766 ' HZ3' ' HB3' ' A' ' 89' ' ' GLU . 94.0 mttt -75.12 -33.28 61.57 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.386 1.074 . . . . 73.32 112.448 -174.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -64.51 -33.7 76.5 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.696 0.622 . . . . 74.55 109.929 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.46 HD11 HG13 ' A' ' 32' ' ' VAL . 35.5 mt -66.01 -56.45 11.54 Favored 'General case' 0 C--N 1.356 0.855 0 O-C-N 124.228 0.955 . . . . 63.54 109.499 176.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.504 HD23 ' HB3' ' A' ' 58' ' ' SER . 73.7 mt -53.88 -44.29 70.33 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 114.631 -1.168 . . . . 74.45 111.506 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -62.75 -35.45 79.83 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 124.702 1.251 . . . . 75.22 110.789 -175.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.78 -54.99 34.88 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 123.522 0.514 . . . . 74.31 110.325 169.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.506 ' SD ' ' HB2' ' A' ' 38' ' ' LEU . 3.3 mpp? -63.27 -33.06 74.68 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.944 0.72 . . . . 71.52 112.944 -173.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 86.1 mt -55.81 -38.02 69.42 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 122.979 0.512 . . . . 72.13 110.913 175.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -82.81 -39.4 21.79 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.044 0.938 . . . . 74.42 111.777 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.12 -51.07 58.66 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.633 0.773 . . . . 75.21 110.979 -175.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.09 -31.41 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 124.743 1.217 . . . . 71.35 110.922 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.2 t -68.29 -29.26 67.99 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.494 0.717 . . . . 71.45 111.124 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -77.95 -40.43 39.45 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.857 0.863 . . . . 74.33 110.642 172.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.6 -26.27 68.61 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-N 115.048 -0.978 . . . . 74.01 110.938 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.58 53.01 2.85 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.62 0.575 . . . . 72.24 112.751 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -127.24 168.56 14.56 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.623 0.769 . . . . 74.44 109.824 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -73.29 115.88 13.17 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 108.495 -0.928 . . . . 73.11 108.495 172.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 44.3 t -89.85 137.76 20.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 N-CA-C 108.17 -1.048 . . . . 72.31 108.17 174.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -143.6 141.43 30.63 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 107.187 -1.412 . . . . 74.34 107.187 173.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.42 HD23 HD11 ' A' ' 68' ' ' LEU . 42.2 tp -129.35 139.52 51.69 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 108.565 -0.902 . . . . 63.31 108.565 177.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.0 tp -142.24 126.64 17.72 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 106.142 -1.799 . . . . 73.3 106.142 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 pp -137.26 145.08 43.11 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.234 0.54 . . . . 54.2 111.19 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.17 142.1 18.05 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 107.395 -1.335 . . . . 73.22 107.395 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -165.05 167.28 18.5 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 109.459 -0.571 . . . . 70.22 109.459 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -66.02 -29.48 69.85 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.0 1.32 . . . . 74.1 110.667 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -95.42 99.02 10.99 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.12 0.968 . . . . 74.42 110.302 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -63.68 -36.7 84.72 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.475 0.71 . . . . 73.23 111.14 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -59.79 -39.12 83.89 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.007 0.923 . . . . 71.02 110.573 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.766 ' HB3' ' HZ3' ' A' ' 61' ' ' LYS . 59.1 mm-40 -72.93 -30.45 63.89 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.733 -0.667 . . . . 72.0 111.934 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.32 -52.02 38.15 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.138 0.575 . . . . 65.23 111.081 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.31 -36.79 82.23 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.729 0.812 . . . . 65.31 112.56 -174.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.35 -34.36 70.42 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.308 0.243 . . . . 71.3 111.462 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.428 ' O ' HG12 ' A' ' 97' ' ' ILE . 34.7 t80 -71.57 -48.33 49.14 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.84 0.456 . . . . 70.15 110.151 173.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.491 ' HD2' ' HB2' ' A' ' 106' ' ' LYS . 55.3 tttm -58.84 -46.08 88.56 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.903 0.881 . . . . 74.44 112.44 -174.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -59.61 -31.19 69.25 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 122.848 0.459 . . . . 74.44 112.026 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.441 ' HZ1' ' HB3' ' A' ' 96' ' ' LYS . 2.2 mmmp? -72.15 -40.11 68.26 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.47 0.708 . . . . 74.34 109.982 177.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.446 HG23 ' HB2' ' A' ' 102' ' ' TYR . 31.1 mm -69.65 -33.73 57.98 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.152 0 C-N-CA 123.718 0.807 . . . . 74.1 110.709 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.94 -32.85 73.58 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.539 0.736 . . . . 71.14 111.059 171.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.3 t -72.42 -23.61 61.11 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.348 0.659 . . . . 74.43 110.739 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 78.3 mt-30 -80.31 -20.5 44.16 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.533 0.733 . . . . 72.34 110.319 170.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.59 38.6 8.1 Favored Glycine 0 C--N 1.357 1.699 0 C-N-CA 123.542 0.591 . . . . 72.1 113.113 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.446 ' HB2' HG23 ' A' ' 97' ' ' ILE . 69.5 m-85 -110.86 145.8 37.61 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.137 0.575 . . . . 74.23 110.92 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -68.58 101.77 1.34 Allowed 'General case' 0 CA--C 1.545 0.762 0 O-C-N 124.164 0.915 . . . . 72.44 109.409 171.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.4 p -124.03 131.2 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 124.609 1.164 . . . . 54.41 109.741 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -109.12 148.86 30.19 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.461 0.704 . . . . 75.14 109.313 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.491 ' HB2' ' HD2' ' A' ' 94' ' ' LYS . 28.2 ttpp -133.25 129.69 37.99 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.406 0.683 . . . . 64.43 109.659 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 32.8 m -140.96 162.37 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 123.25 0.62 . . . . 73.21 109.98 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.3 m -103.45 -52.63 2.96 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.762 0.825 . . . . 74.34 109.154 -176.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.452 ' HB3' ' HG2' ' A' ' 111' ' ' GLU . 1.9 m-20 -77.85 144.66 36.81 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 124.152 0.981 . . . . 72.14 110.245 177.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.542 ' HB2' HD13 ' A' ' 14' ' ' LEU . 1.3 p-10 -65.58 -30.14 70.83 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.196 -0.911 . . . . 75.14 110.928 177.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.452 ' HG2' ' HB3' ' A' ' 109' ' ' ASP . 15.2 pt-20 -62.54 -38.1 88.7 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.555 0.742 . . . . 75.24 111.471 -178.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.16 -38.55 85.67 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.814 0.846 . . . . 74.12 110.275 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.427 ' O ' HG21 ' A' ' 117' ' ' VAL . . . -61.63 -42.69 99.25 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 115.289 -0.869 . . . . 72.42 110.414 175.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.405 HD13 ' HE2' ' A' ' 17' ' ' LYS . 98.0 mt -66.2 -33.79 76.56 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.692 0.797 . . . . 74.14 111.253 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -62.08 -49.72 74.83 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 123.59 0.557 . . . . 72.51 109.707 174.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 74.6 mt -70.3 -30.04 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 O-C-N 123.999 0.812 . . . . 72.11 111.452 -175.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.427 HG21 ' O ' ' A' ' 113' ' ' ALA . 55.2 t -59.28 -47.3 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 N-CA-C 109.372 -0.603 . . . . 74.1 109.372 170.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -70.15 -38.44 75.47 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.945 0.498 . . . . 75.33 111.433 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -59.55 -40.57 87.7 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.627 0.771 . . . . 74.43 111.718 176.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -60.12 -36.52 77.65 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 123.963 0.789 . . . . 74.13 110.659 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.504 ' HG3' ' HG3' ' A' ' 25' ' ' GLN . 22.9 mmt -57.15 -29.37 63.55 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.736 0.643 . . . . 64.33 112.736 -175.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 . . . . . 0 N--CA 1.487 1.392 0 C-N-CA 122.893 0.477 . . . . 73.32 111.271 174.873 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.422 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 42.5 mttm . . . . . 0 N--CA 1.47 0.567 0 N-CA-C 108.367 -0.975 . . . . 73.43 108.367 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -96.02 108.9 21.36 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.491 -0.929 . . . . 71.24 108.491 171.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -93.93 109.39 21.11 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 107.01 -1.478 . . . . 71.22 107.01 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.0 tt -101.36 119.05 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 108.997 -0.742 . . . . 72.35 108.997 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mp -104.41 122.48 45.58 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.846 -1.168 . . . . 72.12 107.846 175.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.518 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 3.0 mp -97.71 136.05 29.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 N-CA-C 107.319 -1.363 . . . . 75.24 107.319 173.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.503 ' HB2' HD12 ' A' ' 64' ' ' LEU . 4.3 t-20 -115.37 124.61 51.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.824 -1.547 . . . . 74.32 106.824 169.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.429 ' HA ' ' HG3' ' A' ' 83' ' ' GLN . 1.4 t -145.69 139.76 26.78 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.029 0.443 . . . . 73.41 110.331 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -86.29 -19.26 30.14 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.329 -0.85 . . . . 71.25 109.582 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -90.37 112.01 23.45 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.226 0.611 . . . . 75.12 109.901 -176.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -58.19 -46.08 86.44 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.75 1.22 . . . . 75.22 112.355 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.31 -32.92 70.88 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.011 -0.995 . . . . 74.01 110.4 -176.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.438 ' O ' HG13 ' A' ' 18' ' ' ILE . 52.6 tp -65.26 -37.95 88.81 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 118.977 -0.535 . . . . 74.25 110.148 177.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.521 HG22 HG21 ' A' ' 57' ' ' ILE . 54.9 mt -50.77 -50.11 24.14 Favored 'Isoleucine or valine' 0 C--N 1.367 1.351 0 O-C-N 123.858 0.724 . . . . 75.2 109.821 173.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -67.61 -36.0 80.01 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.617 -1.174 . . . . 71.42 111.925 -175.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.413 ' HE2' HD12 ' A' ' 114' ' ' LEU . 61.0 mtpt -66.57 -40.21 88.87 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.953 0.501 . . . . 74.43 110.386 176.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.479 ' O ' HG21 ' A' ' 22' ' ' VAL . 95.2 mt -62.12 -43.95 98.42 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 CA-C-N 115.357 -0.838 . . . . 75.01 109.255 175.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 94.9 mttt -54.0 -50.78 65.84 Favored 'General case' 0 C--N 1.358 0.97 0 O-C-N 123.942 0.776 . . . . 72.42 110.164 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -63.19 -39.58 95.04 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 124.078 0.861 . . . . 74.2 111.666 -175.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 26.7 mm-40 -51.92 -53.42 41.26 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 121.578 0.704 . . . . 74.52 110.171 173.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 18' ' ' ILE . 28.1 t -76.78 -22.42 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-N 113.976 -1.466 . . . . 73.51 111.897 -170.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 64.2 mm-40 -62.04 -46.3 89.77 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.388 0.675 . . . . 74.41 109.53 171.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -73.96 -20.48 60.34 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.719 -0.673 . . . . 71.3 111.24 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.465 ' HG3' ' HE3' ' A' ' 121' ' ' MET . 6.6 mm-40 -81.02 -16.78 52.42 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 110.394 -0.224 . . . . 72.34 110.394 173.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.8 27.95 57.78 Favored Glycine 0 C--N 1.346 1.114 0 O-C-N 123.265 0.353 . . . . 74.34 113.689 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.446 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 2.6 m-85 -96.12 166.07 11.93 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.359 0.664 . . . . 72.43 109.841 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.473 ' HB2' HG22 ' A' ' 54' ' ' ILE . 0.8 OUTLIER -87.42 115.06 24.58 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.097 -1.075 . . . . 72.13 108.097 -179.576 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.428 HG13 ' HG2' ' A' ' 19' ' ' LYS . 17.7 t -104.58 114.2 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 122.842 0.457 . . . . 73.43 110.555 -176.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -125.91 135.68 52.18 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 108.535 -0.913 . . . . 74.51 108.535 170.202 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -114.1 116.17 28.71 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 108.366 -0.976 . . . . 73.2 108.366 172.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.629 HG13 HD12 ' A' ' 63' ' ' LEU . 79.6 t -86.76 122.21 38.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 114.901 -1.045 . . . . 63.43 109.303 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -114.24 2.79 14.92 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.552 0.741 . . . . 74.22 110.953 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -160.86 152.06 18.96 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.718 0.807 . . . . 74.54 110.056 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.7 m -62.77 -21.88 66.18 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.906 0.882 . . . . 75.43 113.19 -175.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -73.24 -26.97 61.33 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.098 0.559 . . . . 63.5 110.215 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.532 ' HB2' HG12 ' A' ' 32' ' ' VAL . 7.9 mm-40 -75.17 -47.8 26.66 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.61 0.764 . . . . 71.42 111.296 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.547 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.6 pp -64.54 -40.35 95.44 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.344 0.257 . . . . 74.33 111.546 -174.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -63.39 -30.23 71.39 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 123.35 0.406 . . . . 75.21 111.716 -174.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -55.93 -57.79 10.63 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 123.939 0.774 . . . . 74.33 110.131 176.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.1 pt-20 -82.56 -27.09 31.83 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 114.122 -1.399 . . . . 65.15 112.651 -169.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.8 mmt -60.64 -38.98 86.6 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 121.083 0.468 . . . . 62.15 109.757 174.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -64.99 -45.94 83.51 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.228 -0.896 . . . . 74.12 110.449 172.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -62.44 -25.74 68.13 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 112.77 0.656 . . . . 74.5 112.77 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 84.5 mt -69.89 -34.96 74.23 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 118.099 0.409 . . . . 75.5 110.587 175.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.1 -24.81 65.97 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.634 0.774 . . . . 73.45 111.886 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -99.2 -55.5 2.67 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.441 0.696 . . . . 73.43 110.925 -176.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -78.42 108.02 11.47 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.427 0.691 . . . . 71.05 109.585 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -106.32 -33.27 7.82 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.439 0.696 . . . . 73.44 111.367 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -88.92 75.27 8.08 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 121.385 0.612 . . . . 72.12 110.651 -177.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.422 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -174.41 159.41 3.04 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.349 1.46 . . . . 73.13 107.933 169.418 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.48 171.38 13.87 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.466 0.65 . . . . 74.35 111.477 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -63.1 154.55 30.63 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 114.541 -1.208 . . . . 75.12 113.072 -179.559 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.473 HG22 ' HB2' ' A' ' 28' ' ' GLN . 3.3 mp -110.12 146.49 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-N 113.899 -1.501 . . . . 74.02 109.841 -171.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tt -106.11 120.51 41.98 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.674 0.79 . . . . 75.34 110.181 173.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 37.9 mm -112.67 146.53 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.334 1.053 . . . . 74.43 110.123 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.521 HG21 HG22 ' A' ' 15' ' ' ILE . 48.3 mt -125.78 157.83 35.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 N-CA-C 107.977 -1.12 . . . . 72.12 107.977 172.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.6 t -153.84 156.04 36.88 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.138 0.975 . . . . 74.45 109.304 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -108.0 6.05 26.75 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.635 0.774 . . . . 73.3 110.468 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -138.65 146.32 41.52 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.999 0.52 . . . . 61.2 111.692 -175.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -75.13 -39.31 60.61 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.832 1.253 . . . . 75.41 111.504 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -65.97 -33.88 76.83 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.393 0.677 . . . . 75.12 110.56 -173.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.629 HD12 HG13 ' A' ' 32' ' ' VAL . 80.9 mt -65.01 -45.3 86.09 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.525 0.73 . . . . 75.13 110.075 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.514 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 56.6 mt -56.1 -50.68 70.37 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 114.928 -1.033 . . . . 65.23 109.626 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -54.36 -45.82 72.85 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 124.665 1.228 . . . . 74.22 111.313 -175.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -56.14 -56.56 19.37 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.93 0.769 . . . . 75.1 111.072 174.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 25.4 mtt -59.21 -48.07 82.97 Favored 'General case' 0 C--O 1.211 -0.959 0 O-C-N 124.19 0.932 . . . . 71.21 111.405 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 76.1 mt -54.94 -43.8 73.72 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.843 0.857 . . . . 75.43 111.558 -176.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.81 -35.52 74.88 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.782 0.833 . . . . 75.45 111.051 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.491 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 95.3 mt -70.17 -49.05 54.4 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.025 0.53 . . . . 74.33 111.279 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 76.7 mt -62.38 -29.31 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 124.571 1.149 . . . . 72.53 110.401 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.9 t -66.44 -44.04 83.97 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 115.362 -0.835 . . . . 64.12 110.89 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 14.0 ptmm? -79.19 -20.69 47.75 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 122.36 0.264 . . . . 73.13 110.815 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 86.2 mt -72.57 -33.95 67.12 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 109.202 -0.666 . . . . 64.55 109.202 169.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.23 70.89 1.31 Allowed Glycine 0 C--N 1.346 1.088 0 CA-C-N 115.395 -0.821 . . . . 61.22 111.88 177.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -133.69 171.29 14.33 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.702 0.801 . . . . 74.42 110.181 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.41 109.7 10.33 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 109.013 -0.736 . . . . 74.22 109.013 172.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.4 t -92.91 111.14 24.09 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 123.453 0.701 . . . . 75.33 109.979 -176.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -112.55 144.17 42.47 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.499 1.119 . . . . 75.5 108.676 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.512 HD23 HD11 ' A' ' 68' ' ' LEU . 66.2 tp -143.23 108.51 5.01 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.388 0.675 . . . . 73.41 109.738 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.518 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 48.5 tp -102.15 114.45 28.6 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 108.662 -0.866 . . . . 64.45 108.662 173.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 pp -118.39 145.52 45.11 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.832 -0.542 . . . . 72.3 111.47 -175.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.429 ' HG3' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -146.64 145.3 30.0 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 124.039 0.935 . . . . 74.42 109.452 -178.849 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -161.11 169.23 22.78 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 114.8 -1.091 . . . . 64.33 108.232 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -85.69 1.28 50.05 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.357 0.663 . . . . 74.13 111.594 -178.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -125.71 149.25 48.66 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.194 0.998 . . . . 65.14 109.609 175.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -80.88 -48.53 12.23 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.888 0.875 . . . . 72.22 111.157 -176.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -61.82 -41.83 98.26 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 115.198 -0.91 . . . . 73.31 111.875 -171.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.14 -28.98 70.02 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.901 0.88 . . . . 52.44 111.565 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 90.6 mt -81.18 -53.68 6.17 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.475 0.71 . . . . 75.01 111.756 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -70.76 -25.53 62.94 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 123.536 0.523 . . . . 74.32 111.829 -170.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.24 -43.25 70.96 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 123.433 0.458 . . . . 71.54 110.351 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.515 ' O ' HG12 ' A' ' 97' ' ' ILE . 41.4 t80 -71.24 -45.82 62.39 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 108.971 -0.752 . . . . 72.03 108.971 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -51.31 -54.1 29.39 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.661 1.184 . . . . 71.3 112.287 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -61.42 -34.78 75.96 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 123.388 0.43 . . . . 73.43 111.279 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 12.4 mmmm -63.19 -43.81 97.14 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.112 0.565 . . . . 74.04 110.741 175.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 93' ' ' PHE . 36.1 mm -72.7 -33.34 44.08 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.203 0 C-N-CA 123.396 0.679 . . . . 75.44 111.267 -177.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -65.26 -34.24 77.88 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.438 0.695 . . . . 74.24 110.651 169.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.3 t -72.36 -26.91 62.09 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.489 0.716 . . . . 64.41 110.776 175.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 25.0 mm-40 -76.1 -23.41 54.93 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 109.638 -0.505 . . . . 75.22 109.638 171.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 104.71 2.41 43.15 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-O 119.658 -0.523 . . . . 61.42 113.766 173.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.439 ' HB2' HG22 ' A' ' 97' ' ' ILE . 19.2 m-85 -82.32 151.82 26.55 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.042 0.537 . . . . 63.31 111.483 -174.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -77.08 92.08 3.72 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.208 1.003 . . . . 75.41 109.634 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.9 p -113.95 130.13 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 121.479 0.656 . . . . 73.15 110.965 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -119.28 148.29 43.31 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.322 1.049 . . . . 74.44 109.596 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -118.29 152.65 35.35 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.189 0.518 . . . . 74.01 110.676 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.5 m -145.97 133.78 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 125.135 1.374 . . . . 75.32 107.464 173.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.4 m -103.61 12.94 34.3 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 121.532 0.682 . . . . 75.12 110.122 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -131.57 150.81 52.02 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.388 1.075 . . . . 74.44 110.202 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -69.01 -48.25 63.46 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.878 1.271 . . . . 75.11 112.493 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.94 -34.74 78.8 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.248 0.619 . . . . 73.11 111.375 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -68.2 -30.62 69.75 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.451 -0.795 . . . . 72.12 110.573 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.2 -51.1 63.14 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 123.279 0.631 . . . . 73.32 110.647 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.413 HD12 ' HE2' ' A' ' 17' ' ' LYS . 95.8 mt -59.05 -37.68 77.59 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.402 0.681 . . . . 75.11 110.558 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -66.6 -50.26 63.62 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 114.148 -1.387 . . . . 74.04 111.224 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.406 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 27.1 mt -71.23 -27.69 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 122.481 0.312 . . . . 75.01 111.159 -178.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 38.7 t -58.79 -50.74 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 122.963 0.505 . . . . 65.54 110.75 173.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.7 ptm85 -78.54 -22.78 46.74 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 116.576 -0.284 . . . . 73.21 111.587 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 39.5 mt-10 -65.74 -39.35 91.01 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.957 0.503 . . . . 75.44 111.138 168.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.52 -38.69 31.52 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.429 1.091 . . . . 75.42 111.3 -177.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.465 ' HE3' ' HG3' ' A' ' 25' ' ' GLN . 18.8 mmt -52.91 -33.38 50.14 Favored 'General case' 0 CA--C 1.551 0.995 0 O-C-N 124.571 1.17 . . . . 74.42 111.7 -176.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 . . . . . 0 CA--C 1.56 1.332 0 C-N-CA 123.664 0.786 . . . . 72.42 111.848 172.324 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.7 mttp . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 120.939 0.399 . . . . 72.24 109.998 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.499 ' HG3' ' HZ1' ' A' ' 53' ' ' LYS . 4.8 mm-40 -96.57 117.8 31.71 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 107.622 -1.251 . . . . 73.21 107.622 176.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -108.51 113.32 26.25 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 122.091 -0.381 . . . . 74.44 110.042 -173.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.0 tt -104.88 121.11 56.4 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.003 0 C-N-CA 123.293 0.637 . . . . 75.2 109.453 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.25 118.8 37.64 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 108.472 -0.936 . . . . 75.14 108.472 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.715 HG23 HD13 ' A' ' 18' ' ' ILE . 2.1 mp -100.06 115.67 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 108.494 -0.928 . . . . 75.33 108.494 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.56 ' HB2' HD13 ' A' ' 64' ' ' LEU . 22.5 t-20 -100.23 124.93 46.26 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 106.807 -1.553 . . . . 74.42 106.807 170.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 t -143.94 129.81 19.4 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 122.875 0.47 . . . . 74.13 109.864 -177.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -84.26 -24.98 29.71 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.21 -0.905 . . . . 72.42 109.56 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.472 ' ND2' ' HB2' ' A' ' 14' ' ' LEU . 45.9 t30 -91.68 114.25 26.74 Favored 'General case' 0 C--O 1.245 0.866 0 C-N-CA 123.722 0.809 . . . . 74.2 110.849 -175.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -69.29 -40.35 77.76 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.912 -1.04 . . . . 73.23 111.981 -174.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.41 ' HG3' ' OD1' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -67.54 -26.17 66.18 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 110.118 -0.327 . . . . 62.4 110.118 178.615 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.472 ' HB2' ' ND2' ' A' ' 11' ' ' ASN . 29.1 tp -68.18 -41.8 80.91 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-O 118.733 -0.651 . . . . 73.15 110.291 176.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.467 ' HA ' HD11 ' A' ' 18' ' ' ILE . 34.4 mt -48.24 -41.6 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 124.261 0.976 . . . . 74.03 111.303 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -59.6 -49.47 77.62 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 123.984 0.802 . . . . 71.21 110.472 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -67.57 -31.41 71.46 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.55 1.14 . . . . 74.34 111.564 -176.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.715 HD13 HG23 ' A' ' 7' ' ' ILE . 82.4 mt -63.47 -53.12 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.412 -0.959 . . . . 74.21 108.412 173.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.543 ' HG2' HG12 ' A' ' 29' ' ' VAL . 99.2 mttt -52.66 -46.85 67.37 Favored 'General case' 0 C--N 1.362 1.133 0 O-C-N 124.476 1.11 . . . . 74.54 110.631 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -62.61 -38.02 88.54 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.8 0.84 . . . . 74.33 112.092 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -62.39 -42.85 99.74 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.873 0.469 . . . . 70.21 110.947 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.537 HG21 ' O ' ' A' ' 18' ' ' ILE . 35.8 t -72.03 -27.42 27.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 123.76 0.824 . . . . 74.51 110.907 -177.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 23.0 mm-40 -71.98 -31.21 66.03 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.285 0.634 . . . . 74.3 111.017 174.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -73.25 -29.21 62.6 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.052 0.541 . . . . 74.44 110.447 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.58 ' HG3' ' HG3' ' A' ' 121' ' ' MET . 17.3 mm-40 -88.69 -26.82 21.63 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.635 0.774 . . . . 72.33 110.5 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.3 47.24 8.37 Favored Glycine 0 C--N 1.341 0.84 0 CA-C-N 116.262 -0.427 . . . . 73.31 113.053 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.479 ' HB2' HG12 ' A' ' 22' ' ' VAL . 2.2 m-85 -108.7 171.22 7.55 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.807 0.843 . . . . 72.44 109.727 174.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -91.46 116.17 28.63 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.358 0.663 . . . . 71.31 110.061 -176.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.543 HG12 ' HG2' ' A' ' 19' ' ' LYS . 36.9 t -94.89 117.88 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.498 0.719 . . . . 74.01 109.859 177.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -127.14 109.01 11.41 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.863 -1.162 . . . . 73.45 107.863 165.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -86.74 116.22 24.7 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 109.19 -0.67 . . . . 61.21 109.19 175.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.509 HG11 ' HB3' ' A' ' 38' ' ' LEU . 74.1 t -88.96 123.61 41.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 124.785 1.234 . . . . 73.11 109.914 173.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -121.21 4.77 10.31 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.352 1.061 . . . . 73.23 110.736 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.421 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 25.6 t70 -155.22 152.28 29.14 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.099 0.56 . . . . 73.11 110.845 -171.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.438 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 48.9 m -64.36 -32.43 74.04 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.888 0.875 . . . . 62.11 112.682 -176.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -80.4 -21.9 41.81 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 122.472 0.309 . . . . 73.35 110.363 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.421 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 28.3 mm-40 -67.65 -44.14 78.61 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.95 0.5 . . . . 72.23 111.159 175.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.509 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.2 pp -66.19 -42.0 89.44 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.064 0.227 . . . . 73.5 111.428 -175.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -71.21 -33.03 69.52 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.617 0.573 . . . . 70.51 110.39 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.7 pttm -73.12 -32.13 64.74 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 109.337 -0.616 . . . . 71.35 109.337 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.554 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 63.2 mm-40 -72.49 -30.97 64.99 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 123.38 0.425 . . . . 75.34 110.916 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 33.3 mmt -66.02 -31.16 71.89 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.323 0.249 . . . . 75.12 110.425 172.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -74.98 -36.46 62.01 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.688 0.795 . . . . 72.33 110.38 174.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -59.87 -60.72 3.39 Favored 'General case' 0 C--O 1.206 -1.196 0 C-N-CA 123.979 0.911 . . . . 74.02 110.511 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 32.1 mt -61.28 -28.07 68.93 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.566 0.746 . . . . 72.24 111.495 -174.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.37 -48.53 41.02 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.981 0.912 . . . . 71.23 111.421 177.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -80.59 -35.26 34.41 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.216 0.607 . . . . 74.24 112.022 -174.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -72.96 96.5 2.14 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 107.758 -1.201 . . . . 70.21 107.758 171.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -75.37 -64.79 0.99 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.085 -0.507 . . . . 74.21 112.104 -165.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -105.86 94.96 5.47 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.195 0.598 . . . . 54.0 111.229 -174.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -159.79 161.56 34.65 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 124.016 0.926 . . . . 74.54 109.057 165.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -66.14 160.57 23.76 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.548 0.739 . . . . 64.21 111.293 -174.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.499 ' HZ1' ' HG3' ' A' ' 3' ' ' GLU . 13.4 ptpt -48.69 148.89 1.92 Allowed 'General case' 0 C--O 1.245 0.849 0 C-N-CA 125.661 1.584 . . . . 74.14 112.681 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.59 142.43 27.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-N 115.081 -0.963 . . . . 73.23 110.162 -165.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.505 HD23 HG23 ' A' ' 22' ' ' VAL . 3.8 tt -106.57 110.39 22.58 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.925 -1.034 . . . . 75.33 108.905 175.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.484 HG22 ' SD ' ' A' ' 67' ' ' MET . 36.3 mm -99.43 127.56 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 123.687 0.795 . . . . 72.32 108.888 177.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.429 HG23 HG23 ' A' ' 15' ' ' ILE . 60.5 mt -103.84 110.64 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 108.635 -0.876 . . . . 74.31 108.635 173.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.454 ' HB2' ' HE1' ' A' ' 67' ' ' MET . 45.0 t -113.7 106.43 14.49 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 108.656 -0.868 . . . . 64.51 108.656 -177.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -83.93 13.61 4.8 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.963 0.905 . . . . 72.21 112.557 -171.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.443 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 20.1 t70 -140.32 144.79 36.54 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.537 0.735 . . . . 72.1 109.394 172.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.604 ' HE2' ' HB3' ' A' ' 89' ' ' GLU . 63.8 mttp -84.09 -23.96 30.54 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.281 -0.872 . . . . 74.54 112.68 -173.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -71.29 -32.04 68.18 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 109.015 -0.735 . . . . 75.34 109.015 174.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.443 ' HG ' ' HB3' ' A' ' 60' ' ' ASP . 59.7 mt -66.59 -40.83 89.07 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 115.619 -0.719 . . . . 73.13 110.803 175.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.56 HD13 ' HB2' ' A' ' 8' ' ' ASN . 88.5 mt -53.59 -58.68 6.32 Favored 'General case' 0 C--N 1.362 1.144 0 O-C-N 124.445 1.091 . . . . 72.0 110.591 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -55.29 -48.87 73.45 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 124.265 0.978 . . . . 75.51 112.27 -170.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -58.3 -47.75 82.67 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 124.008 0.817 . . . . 74.11 110.903 176.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.484 ' SD ' HG22 ' A' ' 56' ' ' ILE . 24.1 ttm -66.01 -39.51 90.33 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.157 -0.929 . . . . 73.22 111.338 -173.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 80.8 mt -55.18 -45.48 75.78 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.271 1.028 . . . . 70.41 110.766 178.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.53 -32.44 62.47 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.69 -1.141 . . . . 72.02 111.353 -176.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 90.7 mt -68.37 -42.75 78.7 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 122.421 0.288 . . . . 73.15 110.976 175.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.441 HG23 ' HB2' ' A' ' 76' ' ' TYR . 92.0 mt -63.22 -33.65 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 123.597 0.759 . . . . 74.45 110.581 174.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.5 t -61.29 -45.79 93.03 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.449 -0.796 . . . . 63.4 110.792 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -14.54 55.24 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.654 0.382 . . . . 73.45 111.707 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 83.7 mt -73.8 -29.97 62.47 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 109.596 -0.52 . . . . 75.1 109.596 169.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.11 7.95 51.51 Favored Glycine 0 C--N 1.348 1.238 0 CA-C-N 116.031 -0.531 . . . . 73.34 113.324 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.441 ' HB2' HG23 ' A' ' 71' ' ' ILE . 12.5 m-85 -89.5 161.61 16.14 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.706 0.402 . . . . 73.22 110.078 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -70.63 128.19 35.24 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 123.423 0.452 . . . . 62.42 109.851 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.0 t -93.11 106.69 18.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 N-CA-C 108.533 -0.914 . . . . 74.24 108.533 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -115.84 140.93 48.74 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 106.794 -1.558 . . . . 73.14 106.794 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 47.3 tp -132.14 144.03 50.4 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.342 -0.985 . . . . 73.33 108.342 -176.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.8 tp -141.7 114.31 8.39 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 105.824 -1.917 . . . . 72.02 105.824 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.493 ' HB2' HD23 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -122.32 133.46 54.67 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.317 0.579 . . . . 72.3 110.17 -176.713 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.33 147.64 49.2 Favored 'General case' 0 C--O 1.245 0.857 0 CA-C-N 114.92 -1.036 . . . . 70.34 108.216 176.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.461 ' HB2' HD21 ' A' ' 90' ' ' LEU . 7.5 t70 -164.09 156.79 17.49 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.379 -0.971 . . . . 75.14 108.379 -177.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -73.28 -13.08 61.06 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.243 0.617 . . . . 75.13 111.449 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -130.86 112.02 12.62 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.081 1.352 . . . . 74.31 108.254 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -78.72 -4.61 50.06 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.177 0.591 . . . . 73.03 112.381 -172.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -64.77 -38.33 90.62 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.536 -0.542 . . . . 73.05 109.536 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.604 ' HB3' ' HE2' ' A' ' 61' ' ' LYS . 49.0 mm-40 -55.87 -47.9 76.53 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.106 -0.952 . . . . 71.33 111.435 169.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.493 HD23 ' HB2' ' A' ' 82' ' ' LEU . 80.4 mt -70.21 -39.32 75.22 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.627 -1.17 . . . . 73.42 112.63 -171.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -81.63 -32.0 32.14 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.718 0.636 . . . . 64.1 111.086 -173.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.7 -46.82 83.75 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 123.695 0.798 . . . . 75.43 109.692 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.457 ' O ' HG12 ' A' ' 97' ' ' ILE . 6.4 t80 -63.12 -52.76 61.27 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 114.684 -1.144 . . . . 75.11 109.817 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -60.82 -46.13 91.76 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.789 0.836 . . . . 73.43 111.99 -174.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -60.97 -28.76 69.23 Favored 'General case' 0 N--CA 1.485 1.304 0 O-C-N 123.596 0.56 . . . . 65.53 111.473 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -71.47 -44.78 64.13 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.82 -0.627 . . . . 73.03 110.053 172.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 93' ' ' PHE . 48.5 mm -67.41 -30.29 48.51 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.282 0 C-N-CA 124.089 0.956 . . . . 71.42 111.864 -176.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -53.71 -49.22 68.55 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.495 0.718 . . . . 73.33 110.644 169.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.3 t -72.42 -30.69 64.86 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 114.892 -1.049 . . . . 71.34 110.913 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -77.04 -15.89 59.46 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.645 0.778 . . . . 75.31 111.089 177.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.65 42.38 26.66 Favored Glycine 0 C--N 1.35 1.335 0 CA-C-O 119.746 -0.475 . . . . 55.02 113.823 172.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -117.07 135.96 53.34 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.499 -0.926 . . . . 75.22 108.499 173.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -68.96 109.75 4.1 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.207 0.603 . . . . 73.14 110.489 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 2.7 p -128.2 135.65 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-O 121.483 0.658 . . . . 73.34 111.584 -174.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.5 ' HB3' HD13 ' A' ' 116' ' ' ILE . 5.0 mmp_? -109.7 141.84 41.72 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.404 1.081 . . . . 74.11 109.126 178.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -128.39 130.78 48.19 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.476 0.71 . . . . 73.52 110.675 -174.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.4 m -151.92 128.08 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.361 1.064 . . . . 73.35 109.833 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.1 m -69.42 -40.16 77.44 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 121.786 0.803 . . . . 74.5 109.263 167.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -78.14 132.02 37.48 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.369 -1.287 . . . . 75.24 110.303 -170.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -65.49 -43.26 90.72 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 114.37 -1.286 . . . . 75.33 113.252 -175.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -76.61 -26.12 54.64 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 122.117 -0.365 . . . . 74.05 110.36 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -69.96 -24.24 63.31 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.629 0.372 . . . . 74.11 111.087 173.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' ' 117' ' ' VAL . . . -69.02 -40.32 78.71 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.593 0.357 . . . . 71.11 110.489 170.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.07 -36.76 85.05 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 123.755 0.659 . . . . 75.52 110.35 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.564 ' HZ3' ' HB2' ' A' ' 115' ' ' LYS . 4.3 ttmp? -58.24 -40.98 83.14 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 124.097 0.873 . . . . 74.22 110.782 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.5 HD13 ' HB3' ' A' ' 105' ' ' ARG . 62.0 mt -80.95 -28.39 11.16 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 C-N-CA 123.045 0.538 . . . . 74.23 111.38 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 113' ' ' ALA . 62.4 t -59.54 -53.6 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 122.876 0.471 . . . . 71.24 109.837 172.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 115' ' ' LYS . 1.3 ptm180 -69.59 -36.36 76.17 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.406 0.441 . . . . 75.54 111.279 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.489 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 19.9 mt-10 -53.77 -54.77 33.5 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 118.719 -0.658 . . . . 62.54 110.946 173.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -49.77 -34.36 19.06 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.718 0.807 . . . . 74.5 112.213 -174.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.58 ' HG3' ' HG3' ' A' ' 25' ' ' GLN . 20.2 mmt -62.21 -38.36 88.85 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.863 0.865 . . . . 74.45 112.225 -177.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 . . . . . 0 N--CA 1.485 1.28 0 C-N-CA 123.372 0.669 . . . . 73.22 112.118 178.873 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.562 ' HZ1' HD12 ' A' ' 54' ' ' ILE . 29.5 mtpp . . . . . 0 N--CA 1.473 0.72 0 CA-C-O 121.234 0.54 . . . . 75.35 110.099 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.551 ' HA ' ' HB3' ' A' ' 77' ' ' LYS . 35.9 mt-10 -128.36 118.19 22.74 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.548 1.139 . . . . 72.54 107.947 -176.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.73 112.65 24.83 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.791 -0.818 . . . . 74.23 108.791 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 tt -112.47 117.34 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.935 0.894 . . . . 75.54 109.048 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.497 ' HB3' HD22 ' A' ' 64' ' ' LEU . 6.2 mp -104.09 123.32 47.03 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.595 -0.891 . . . . 74.31 108.595 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 mp -101.89 140.0 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 108.349 -0.982 . . . . 75.01 108.349 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.467 ' HB2' HD13 ' A' ' 64' ' ' LEU . 4.2 t-20 -117.39 108.7 15.89 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 107.627 -1.249 . . . . 70.11 107.627 171.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.2 t -146.58 134.48 21.33 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.053 0.454 . . . . 73.3 109.852 174.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -99.83 2.68 44.16 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.215 -0.902 . . . . 73.33 110.075 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -93.03 102.19 14.53 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.24 1.016 . . . . 73.02 108.823 175.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.48 -34.88 76.21 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.072 0.949 . . . . 72.51 111.969 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -61.83 -38.8 89.52 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.136 0.897 . . . . 74.04 110.154 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.8 tp -67.44 -44.1 79.5 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 123.697 0.623 . . . . 73.23 110.891 176.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.499 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 46.4 mt -54.53 -44.35 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 O-C-N 123.801 0.688 . . . . 74.35 109.858 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -53.88 -49.88 67.56 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.23 1.012 . . . . 73.34 111.428 176.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.539 ' HE2' HD13 ' A' ' 114' ' ' LEU . 57.7 mtpt -67.98 -39.64 83.28 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.282 1.033 . . . . 72.5 111.564 -175.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.5 mt -60.94 -51.83 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 108.91 -0.774 . . . . 75.54 108.91 176.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.61 ' HG2' HG13 ' A' ' 29' ' ' VAL . 93.9 mttt -50.21 -51.15 46.63 Favored 'General case' 0 C--N 1.362 1.113 0 O-C-N 124.527 1.142 . . . . 74.01 110.809 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -54.98 35.31 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.333 1.021 . . . . 73.31 111.596 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 28.2 mm-40 -53.25 -50.05 65.61 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 123.88 0.738 . . . . 64.34 111.237 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.491 HG13 ' HB2' ' A' ' 27' ' ' TYR . 71.9 t -69.29 -32.27 52.92 Favored 'Isoleucine or valine' 0 C--O 1.25 1.128 0 C-N-CA 125.467 1.507 . . . . 73.31 112.632 -172.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.62 -32.53 73.31 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.736 0.815 . . . . 72.22 111.362 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -78.04 -18.49 55.78 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.606 0.362 . . . . 60.31 111.094 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 8.7 mm-40 -92.0 -7.48 48.77 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.167 0.587 . . . . 73.03 110.993 175.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.04 -3.12 85.81 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-O 119.203 -0.776 . . . . 61.32 114.774 172.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.491 ' HB2' HG13 ' A' ' 22' ' ' VAL . 2.2 m-85 -73.28 146.94 45.0 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 118.023 0.912 . . . . 73.0 109.943 -176.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.4 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 0.9 OUTLIER -78.0 110.24 12.77 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 108.436 -0.95 . . . . 70.1 108.436 -179.102 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.61 HG13 ' HG2' ' A' ' 19' ' ' LYS . 38.3 t -83.21 122.15 37.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 122.824 0.449 . . . . 64.33 110.067 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.4 ' NH1' ' HB3' ' A' ' 28' ' ' GLN . 2.4 mpt_? -116.48 150.79 37.3 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.9 0.88 . . . . 74.43 108.796 168.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -127.33 113.58 16.45 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 107.728 -1.212 . . . . 74.32 107.728 162.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.567 HG11 ' HB3' ' A' ' 38' ' ' LEU . 79.7 t -97.38 120.6 46.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.327 -0.99 . . . . 75.13 108.327 175.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -113.15 -18.08 12.22 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.062 0.945 . . . . 73.04 110.374 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -135.05 154.35 51.74 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.584 0.754 . . . . 65.43 110.15 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.8 m -65.77 -20.19 66.17 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.285 1.034 . . . . 74.01 113.103 -172.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -66.76 -44.02 82.52 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.488 0.315 . . . . 72.31 110.648 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.498 ' HB2' HG12 ' A' ' 32' ' ' VAL . 39.7 mt-10 -61.29 -46.22 91.22 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.053 0.941 . . . . 65.31 112.13 -172.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.567 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.6 pp -66.27 -44.22 84.21 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.729 0.643 . . . . 74.34 111.658 -174.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -73.38 -32.29 64.4 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 116.442 -0.345 . . . . 73.0 110.72 -171.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 28.0 mtpp -60.12 -51.87 67.77 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.999 0.812 . . . . 75.42 110.417 174.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -78.36 -27.29 46.9 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.835 -0.62 . . . . 75.41 111.811 -173.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.44 ' SD ' HD13 ' A' ' 45' ' ' LEU . 14.0 mmt -68.61 -31.9 71.39 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.692 0.397 . . . . 75.53 111.187 177.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -62.19 -46.52 88.55 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.691 0.619 . . . . 75.51 109.424 168.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 28.3 mmmt -71.03 -22.25 62.17 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.387 -0.824 . . . . 62.34 112.613 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.44 HD13 ' SD ' ' A' ' 42' ' ' MET . 93.7 mt -76.3 -40.75 50.76 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.694 -0.484 . . . . 75.04 109.694 173.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.56 93.07 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.919 0.888 . . . . 72.25 111.205 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -76.44 -55.63 5.37 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.759 0.824 . . . . 53.32 110.135 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -104.95 94.94 5.53 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.502 -0.772 . . . . 71.23 109.47 -173.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.541 ' HE2' ' HE1' ' A' ' 76' ' ' TYR . 38.0 ttmt -74.19 -64.05 1.1 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 107.925 -1.139 . . . . 74.1 107.925 169.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 26.33 -80.09 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 127.322 2.249 . . . . 74.5 115.748 168.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -68.59 172.72 5.83 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.711 1.204 . . . . 55.21 112.535 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.06 -164.24 0.05 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 125.054 1.342 . . . . 75.44 112.558 -174.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.09 152.47 29.29 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.902 0.881 . . . . 75.24 112.272 -178.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.562 HD12 ' HZ1' ' A' ' 2' ' ' LYS . 3.9 mp -121.67 143.22 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.128 0.971 . . . . 75.11 109.979 -168.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tp -101.02 131.37 46.94 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.039 0.936 . . . . 74.23 109.324 170.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.3 mm -118.08 135.04 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 108.027 -1.101 . . . . 75.13 108.027 174.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.1 mt -123.05 146.64 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 108.524 -0.917 . . . . 73.11 108.524 171.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.3 t -153.66 155.09 35.37 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.728 0.811 . . . . 74.32 109.305 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -95.69 -15.95 22.32 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.606 0.762 . . . . 62.41 110.456 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -113.98 134.84 54.58 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.825 0.85 . . . . 72.03 110.808 -170.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.423 ' HA ' HD12 ' A' ' 64' ' ' LEU . 9.4 mptt -77.75 -29.06 50.85 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.055 0.542 . . . . 73.45 112.243 -176.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -68.64 -30.4 69.09 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 110.144 -0.317 . . . . 70.52 110.144 -177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.539 HD11 HG13 ' A' ' 32' ' ' VAL . 62.7 mt -68.15 -46.29 71.2 Favored 'General case' 0 C--O 1.247 0.942 0 C-N-CA 123.526 0.73 . . . . 63.1 109.55 175.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.499 HD11 HD13 ' A' ' 80' ' ' LEU . 76.7 mt -57.56 -50.19 73.92 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 114.675 -1.148 . . . . 74.5 110.289 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 54.6 tptt -51.33 -52.48 45.03 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 124.703 1.252 . . . . 75.41 110.999 -177.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -58.2 -48.07 81.49 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 124.003 0.815 . . . . 75.12 111.811 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.436 ' O ' HG13 ' A' ' 71' ' ' ILE . 76.5 mtm -62.01 -48.73 79.01 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 123.46 0.475 . . . . 72.24 111.346 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 90.7 mt -53.17 -44.06 67.56 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.733 1.213 . . . . 74.44 111.571 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 56.6 mm-40 -66.67 -41.82 87.56 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 115.659 -0.7 . . . . 74.3 110.799 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.53 -51.66 68.51 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.664 0.603 . . . . 74.43 111.273 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 67' ' ' MET . 44.5 mt -59.57 -28.48 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 124.432 1.093 . . . . 75.22 111.339 -175.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 t -60.83 -49.76 76.2 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.68 -0.691 . . . . 75.14 111.117 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.57 -6.56 58.85 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 122.213 -0.304 . . . . 74.45 111.378 178.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.3 mt -78.77 -20.35 50.09 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 109.356 -0.609 . . . . 74.44 109.356 168.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.35 20.52 78.76 Favored Glycine 0 C--N 1.35 1.344 0 CA-C-N 115.63 -0.713 . . . . 63.34 113.355 173.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.541 ' HE1' ' HE2' ' A' ' 49' ' ' LYS . 15.1 m-85 -92.05 161.43 14.78 Favored 'General case' 0 C--O 1.24 0.603 0 C-N-CA 123.268 0.627 . . . . 74.42 109.467 174.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.551 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 24.5 ttmm -67.55 111.49 4.18 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.655 -0.702 . . . . 74.44 110.155 -178.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.6 t -90.83 123.97 43.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 N-CA-C 109.764 -0.458 . . . . 70.2 109.764 -177.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -136.95 141.78 42.63 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.957 -1.127 . . . . 74.34 107.957 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.499 HD13 HD11 ' A' ' 64' ' ' LEU . 50.2 tp -131.02 148.17 52.72 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.67 -0.863 . . . . 71.34 108.67 175.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.532 HD13 HG22 ' A' ' 116' ' ' ILE . 19.4 tp -138.83 135.1 34.21 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 105.867 -1.901 . . . . 64.22 105.867 175.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.676 HD12 ' HB3' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -140.16 137.07 34.11 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.183 0.516 . . . . 73.41 110.748 178.063 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -145.24 142.3 29.39 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 114.792 -1.095 . . . . 74.52 109.124 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -165.49 161.38 18.63 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 115.093 -0.958 . . . . 75.43 109.063 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -63.99 -32.05 73.45 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.64 0.776 . . . . 74.24 110.228 174.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -101.31 111.99 24.37 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.704 0.801 . . . . 71.41 109.075 171.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.539 ' HG3' HD13 ' A' ' 90' ' ' LEU . 31.5 tt0 -85.38 -3.61 58.9 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 122.998 0.519 . . . . 74.14 111.264 -178.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -75.33 -27.15 59.13 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.674 0.389 . . . . 74.41 110.664 176.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -63.25 -43.44 98.0 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 121.687 0.756 . . . . 62.42 110.483 168.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.676 ' HB3' HD12 ' A' ' 82' ' ' LEU . 52.9 mt -71.07 -39.44 72.19 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.025 -1.443 . . . . 72.44 112.148 -170.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.54 -41.02 66.27 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.075 0.55 . . . . 72.43 111.857 -175.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -62.33 -42.66 99.56 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.361 0.664 . . . . 71.34 111.421 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.472 ' O ' HG12 ' A' ' 97' ' ' ILE . 10.1 t80 -68.28 -51.38 45.59 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.483 -0.781 . . . . 71.34 109.7 176.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.478 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 27.9 ttpp -59.06 -48.75 80.45 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 113.201 0.815 . . . . 74.02 113.201 -171.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.9 ptt85 -58.85 -27.05 64.77 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 112.13 0.418 . . . . 64.13 112.13 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.33 -35.13 25.44 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.233 0.613 . . . . 73.12 110.837 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 93' ' ' PHE . 33.4 mm -69.42 -38.23 76.75 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.371 0 C-N-CA 123.506 0.722 . . . . 73.52 111.265 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.43 -27.8 68.78 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 124.55 1.14 . . . . 72.33 111.665 171.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.7 t -67.82 -36.72 80.88 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.918 0.487 . . . . 74.44 110.487 176.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -71.93 -25.37 61.87 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 110.161 -0.311 . . . . 70.44 110.161 169.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.76 45.14 3.22 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 116.336 -0.393 . . . . 75.45 112.949 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.455 ' HB2' HG22 ' A' ' 97' ' ' ILE . 17.7 m-85 -104.37 145.45 30.24 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.484 -0.561 . . . . 74.22 109.484 177.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -78.25 96.2 5.18 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.032 -0.729 . . . . 71.33 109.032 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 1.8 p -119.52 130.84 73.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 C-N-CA 123.874 0.87 . . . . 74.11 110.848 -175.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -110.77 144.1 40.27 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 123.052 0.541 . . . . 73.22 110.514 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.478 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 28.2 ttpp -117.85 125.23 50.14 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.524 1.13 . . . . 72.34 109.668 -177.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 83' ' ' GLN . 21.1 m -142.91 143.38 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.312 1.045 . . . . 74.1 108.655 178.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.7 m -87.44 -26.27 23.35 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.375 0.607 . . . . 65.12 110.188 169.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.3 144.73 26.66 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.732 0.813 . . . . 71.03 112.495 -167.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -58.36 -56.16 25.66 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.823 1.249 . . . . 74.0 110.149 168.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -64.37 -33.76 76.6 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 114.788 -1.096 . . . . 51.34 112.397 -173.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.456 ' O ' HG12 ' A' ' 116' ' ' ILE . 44.2 mm-40 -76.43 -29.62 57.08 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 122.388 0.275 . . . . 64.01 110.903 178.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.421 ' O ' HG21 ' A' ' 117' ' ' VAL . . . -66.74 -40.28 88.25 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.624 0.37 . . . . 63.34 110.311 173.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.539 HD13 ' HE2' ' A' ' 17' ' ' LYS . 92.1 mt -60.35 -41.76 94.34 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.556 0.742 . . . . 74.14 110.249 173.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.563 ' HZ2' ' HB2' ' A' ' 115' ' ' LYS . 4.7 ttmp? -60.61 -49.49 77.32 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.207 0.942 . . . . 74.35 110.245 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.532 HG22 HD13 ' A' ' 81' ' ' LEU . 43.1 mm -59.64 -39.39 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 123.186 0.595 . . . . 73.13 111.71 -175.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 113' ' ' ALA . 94.5 t -57.49 -41.98 79.94 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 122.999 0.52 . . . . 70.12 110.379 177.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -71.91 -47.63 51.28 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.082 0.953 . . . . 73.11 110.862 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 17.1 mm-40 -54.69 -40.48 69.18 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.178 0.991 . . . . 71.13 111.344 178.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.476 ' HE2' ' HE2' ' A' ' 27' ' ' TYR . 25.5 t80 -53.78 -54.08 43.33 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 124.272 0.983 . . . . 75.2 111.328 177.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.414 ' HG3' ' O ' ' A' ' 117' ' ' VAL . 53.6 mtt -61.58 -25.12 67.12 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 124.002 0.814 . . . . 70.31 112.581 -168.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 . . . . . 0 N--CA 1.481 1.124 0 C-N-CA 123.037 0.535 . . . . 73.42 111.285 176.937 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 76' ' ' TYR . 9.5 ptpp? . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 107.069 -1.456 . . . . 73.2 107.069 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.522 ' HB2' ' HD2' ' A' ' 53' ' ' LYS . 1.4 mp0 -84.17 135.05 34.53 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.263 0.554 . . . . 72.0 110.215 -176.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -110.76 112.91 25.11 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 107.985 -1.116 . . . . 64.44 107.985 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 tt -106.6 122.4 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 108.762 -0.829 . . . . 73.5 108.762 176.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.63 123.02 48.75 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.368 -0.975 . . . . 74.03 108.368 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.637 HG23 HD11 ' A' ' 18' ' ' ILE . 2.4 mp -103.85 123.96 57.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 108.911 -0.774 . . . . 73.32 108.911 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.5 ' HB2' HD12 ' A' ' 64' ' ' LEU . 3.7 t-20 -96.66 119.47 35.19 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 106.15 -1.796 . . . . 74.23 106.15 166.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.521 HG23 HG12 ' A' ' 15' ' ' ILE . 2.3 t -143.58 117.74 9.52 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.385 -0.598 . . . . 73.23 109.385 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -107.44 6.36 28.15 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.393 -0.821 . . . . 75.34 111.294 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.4 ' O ' HG13 ' A' ' 15' ' ' ILE . 50.0 t-20 -92.05 108.67 20.11 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.106 -1.442 . . . . 75.41 107.106 166.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.87 -47.3 80.74 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.565 1.146 . . . . 63.23 111.586 -175.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.15 -37.66 88.27 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.158 -0.928 . . . . 73.23 110.413 -178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.0 tp -66.45 -38.15 86.74 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 118.711 -0.662 . . . . 73.41 111.729 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.521 HG12 HG23 ' A' ' 9' ' ' THR . 16.8 mt -54.01 -44.16 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 CA-C-O 121.232 0.539 . . . . 75.33 109.934 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -63.08 -41.32 99.4 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 114.392 -1.276 . . . . 73.41 111.099 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -70.89 -38.29 73.04 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.473 -0.785 . . . . 75.4 111.392 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.637 HD11 HG23 ' A' ' 7' ' ' ILE . 98.9 mt -58.76 -50.12 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.533 0.733 . . . . 61.55 109.224 177.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.607 ' HG2' HG11 ' A' ' 29' ' ' VAL . 99.5 mttt -49.93 -43.77 50.03 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 124.601 1.188 . . . . 72.24 111.556 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -70.35 -36.87 74.46 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.756 0.823 . . . . 75.02 112.441 -177.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 18.5 mm-40 -63.39 -39.42 94.45 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 121.047 0.451 . . . . 63.5 110.275 174.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 18' ' ' ILE . 57.4 t -73.81 -29.4 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.369 1.067 . . . . 72.22 111.101 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -71.01 -26.08 62.96 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.547 0.739 . . . . 75.54 110.631 173.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -71.66 -35.51 70.38 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.114 0.566 . . . . 75.3 110.003 172.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 76.3 mm-40 -82.75 -24.4 33.54 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.582 0.753 . . . . 74.24 111.172 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.6 22.21 58.69 Favored Glycine 0 C--N 1.346 1.089 0 CA-C-N 115.831 -0.622 . . . . 74.23 114.068 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.472 ' HB2' HG12 ' A' ' 22' ' ' VAL . 1.7 m-85 -90.52 161.39 15.51 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 109.53 -0.545 . . . . 74.33 109.53 175.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -91.17 121.21 32.74 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.518 0.727 . . . . 74.41 110.836 -175.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.607 HG11 ' HG2' ' A' ' 19' ' ' LYS . 91.4 t -92.19 122.76 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 122.874 0.47 . . . . 74.34 110.369 175.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -117.77 106.58 13.18 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 108.123 -1.066 . . . . 74.24 108.123 167.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -86.56 117.35 25.28 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.348 -0.982 . . . . 73.12 108.348 175.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.526 HG11 ' HB3' ' A' ' 38' ' ' LEU . 80.0 t -101.98 120.87 52.26 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 CA-C-N 115.25 -0.886 . . . . 74.34 109.71 -175.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -115.03 -21.74 9.89 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.698 -1.137 . . . . 72.42 109.332 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.433 ' HB2' ' HG2' ' A' ' 37' ' ' GLU . 13.9 m-20 -119.93 145.83 46.37 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.165 0.986 . . . . 74.43 110.269 -175.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.9 p -70.4 -21.07 62.89 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.086 0.954 . . . . 72.22 112.712 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -90.76 -28.13 18.46 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 122.239 -0.288 . . . . 72.5 111.409 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.433 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 32.2 mm-40 -63.23 -33.89 76.47 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.444 0.298 . . . . 72.02 111.206 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.526 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.6 pp -65.16 -49.02 71.45 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 123.292 0.37 . . . . 70.42 110.402 178.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -69.72 -28.32 65.72 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 111.611 0.226 . . . . 75.11 111.611 -171.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -64.46 -42.3 96.02 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.531 0.732 . . . . 73.1 110.299 173.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 53.6 mm-40 -76.36 -25.46 54.67 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 112.354 0.501 . . . . 62.21 112.354 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.509 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 80.9 mmm -66.43 -31.36 72.06 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 110.231 -0.285 . . . . 74.3 110.231 173.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -68.27 -42.04 80.16 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.365 0.666 . . . . 74.24 110.446 173.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -58.94 -35.54 73.29 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.966 0.906 . . . . 75.43 111.377 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 73.4 mt -61.05 -48.96 79.33 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.597 0.759 . . . . 75.31 110.873 177.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.427 ' HB2' HD21 ' A' ' 74' ' ' LEU . . . -69.47 -56.12 8.32 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.045 0.84 . . . . 70.2 111.493 -176.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.65 -50.79 72.11 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.293 1.037 . . . . 74.04 111.623 -173.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -83.05 100.34 10.43 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 107.945 -1.132 . . . . 72.54 107.945 173.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -79.28 -56.77 4.1 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.453 0.301 . . . . 74.32 110.426 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -92.82 91.09 7.29 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.91 0.484 . . . . 65.33 110.656 -176.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -159.96 161.04 34.08 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 123.584 0.754 . . . . 73.31 109.566 164.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.57 133.95 53.95 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.553 0.741 . . . . 74.34 111.211 -174.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.522 ' HD2' ' HB2' ' A' ' 3' ' ' GLU . 46.0 pttt -56.2 135.08 53.43 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.093 0.957 . . . . 73.5 111.383 -176.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.467 ' N ' HD13 ' A' ' 54' ' ' ILE . 3.0 mp -96.43 130.76 44.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 CA-C-N 115.215 -0.902 . . . . 64.21 110.09 -160.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 tt -90.94 113.24 25.42 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.352 -0.84 . . . . 65.43 109.132 174.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.427 HG21 ' SD ' ' A' ' 67' ' ' MET . 26.9 mm -96.66 136.24 28.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 N-CA-C 108.549 -0.908 . . . . 74.12 108.549 176.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.3 mt -113.61 149.62 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 107.244 -1.391 . . . . 62.23 107.244 166.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.4 ' HB2' ' HE1' ' A' ' 67' ' ' MET . 34.4 t -151.73 154.37 36.18 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.394 -0.595 . . . . 70.03 109.394 171.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -90.8 -20.0 22.83 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.351 -0.84 . . . . 55.22 111.139 -173.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -134.15 145.71 49.52 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 122.604 0.362 . . . . 65.41 111.444 -166.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.712 ' HZ3' ' HB3' ' A' ' 89' ' ' GLU . 87.3 mttt -70.57 -34.93 72.74 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.595 1.158 . . . . 74.54 112.345 -173.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.01 -35.98 82.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.881 0.472 . . . . 75.41 110.69 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.421 HD12 HG13 ' A' ' 32' ' ' VAL . 50.9 mt -67.93 -51.72 44.48 Favored 'General case' 0 C--O 1.244 0.784 0 N-CA-C 109.535 -0.543 . . . . 64.44 109.535 179.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.5 HD12 ' HB2' ' A' ' 8' ' ' ASN . 74.8 mt -50.41 -46.79 56.57 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-N 114.771 -1.104 . . . . 72.41 111.278 176.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -61.09 -48.52 81.31 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 114.674 -1.148 . . . . 73.45 111.03 -171.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -60.25 -41.24 92.8 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.872 0.733 . . . . 74.31 111.054 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.481 ' O ' HG13 ' A' ' 71' ' ' ILE . 32.0 mtt -57.3 -47.2 82.09 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-O 118.762 -0.637 . . . . 73.22 110.43 176.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 41.9 mt -55.87 -41.61 74.67 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.684 0.794 . . . . 71.23 111.564 -176.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.37 -42.84 95.97 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.357 -0.838 . . . . 70.35 109.889 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.68 -40.91 79.89 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 115.277 -0.874 . . . . 75.31 111.935 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 67' ' ' MET . 38.7 mt -63.06 -37.55 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 C-N-CA 123.371 0.669 . . . . 75.43 109.409 178.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.7 t -60.19 -48.18 82.8 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 114.623 -1.171 . . . . 65.23 110.834 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.638 ' HZ3' ' HB2' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -80.23 -15.53 56.77 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 112.204 0.446 . . . . 74.53 112.204 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' A' ' 46' ' ' ALA . 85.2 mt -78.67 -22.83 46.17 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 109.425 -0.583 . . . . 74.34 109.425 171.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.84 9.16 68.61 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 116.18 -0.463 . . . . 70.24 113.247 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 2' ' ' LYS . 21.9 m-85 -85.28 171.81 11.62 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.271 0.628 . . . . 65.32 110.403 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -83.0 131.68 35.18 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.316 -0.402 . . . . 74.44 110.15 177.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.8 t -89.91 129.01 41.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 123.576 0.75 . . . . 71.34 109.191 171.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -136.22 127.0 27.37 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 105.922 -1.881 . . . . 73.3 105.922 169.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.1 tp -119.88 147.9 44.14 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.175 -1.046 . . . . 75.22 108.175 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.5 tp -145.7 119.42 9.21 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 106.166 -1.79 . . . . 74.11 106.166 178.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' A' ' 90' ' ' LEU . 0.9 OUTLIER -126.75 141.67 51.77 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.041 0.448 . . . . 75.31 111.234 -174.401 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.44 148.07 35.55 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 114.919 -1.037 . . . . 72.15 108.475 177.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.467 ' N ' HD12 ' A' ' 90' ' ' LEU . 28.7 t70 -164.47 158.42 18.33 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 114.771 -1.104 . . . . 71.13 108.129 174.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.86 -16.01 62.67 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.58 0.752 . . . . 73.14 110.588 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -117.47 97.13 5.72 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.479 1.111 . . . . 73.14 108.515 169.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -70.84 -16.46 62.72 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.314 0.646 . . . . 73.01 112.098 -176.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -66.76 -25.63 66.58 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.782 0.433 . . . . 73.34 110.704 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.712 ' HB3' ' HZ3' ' A' ' 61' ' ' LYS . 18.6 mm-40 -73.7 -32.38 63.89 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.61 0.764 . . . . 71.23 110.967 175.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.652 ' HB3' HD12 ' A' ' 82' ' ' LEU . 89.2 mt -74.52 -47.54 32.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.07 0.948 . . . . 75.14 111.692 -175.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.85 -34.33 77.68 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.812 0.695 . . . . 55.31 112.145 -174.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -69.05 -45.68 69.8 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 122.818 0.447 . . . . 73.54 110.946 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.496 ' O ' HG12 ' A' ' 97' ' ' ILE . 30.6 t80 -61.08 -41.77 97.26 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 109.553 -0.536 . . . . 73.12 109.553 174.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.527 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 29.0 ttpp -66.18 -42.68 88.57 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.817 0.847 . . . . 74.32 112.103 -172.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -63.89 -25.91 68.37 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.392 0.277 . . . . 73.23 111.664 -177.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -68.47 -48.54 64.22 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.203 0.601 . . . . 75.4 110.409 169.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 93' ' ' PHE . 38.1 mm -62.31 -44.08 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 C-N-CA 124.129 0.972 . . . . 74.34 110.994 -175.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.36 -38.79 90.91 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.694 1.198 . . . . 71.12 111.552 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.8 t -66.91 -32.07 73.08 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.017 0.527 . . . . 74.13 110.931 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -88.61 7.08 35.13 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.855 0.862 . . . . 73.22 111.514 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 72.13 25.46 74.57 Favored Glycine 0 C--N 1.348 1.241 0 O-C-N 123.302 0.377 . . . . 64.04 113.84 174.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -96.78 128.54 43.83 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 109.34 -0.615 . . . . 75.23 109.34 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.54 123.15 19.24 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.395 0.678 . . . . 74.54 110.422 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.0 p -141.1 141.94 30.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 123.729 0.812 . . . . 55.21 111.126 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -121.88 142.96 49.73 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.932 0.893 . . . . 74.25 109.026 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.527 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 26.0 ttpp -115.14 138.13 51.25 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.508 0.723 . . . . 75.42 110.964 -177.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.22 -179.16 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.186 0.994 . . . . 74.24 108.961 173.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.8 m -140.21 -42.89 0.42 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.196 0.998 . . . . 73.34 108.376 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.85 147.08 45.76 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 114.527 -1.215 . . . . 65.3 111.115 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -55.16 -50.04 70.31 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 114.426 -1.261 . . . . 74.01 110.079 170.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -65.27 -38.25 89.7 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.051 -0.977 . . . . 74.14 112.001 -175.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -75.94 -25.02 55.55 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.797 0.439 . . . . 73.03 111.278 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.44 -50.74 24.03 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 122.877 0.471 . . . . 63.24 110.377 175.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.8 mt -60.81 -34.85 75.15 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.758 0.823 . . . . 73.23 110.19 177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -55.13 -59.04 5.31 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 114.583 -1.189 . . . . 73.24 111.053 176.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.513 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 32.3 mt -72.57 -25.28 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.161 0 C-N-CA 122.753 0.421 . . . . 75.25 111.938 -174.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 70.9 t -58.17 -48.71 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 N-CA-C 109.971 -0.381 . . . . 72.3 109.971 168.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -70.17 -39.75 75.1 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.521 0.728 . . . . 74.25 111.261 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.513 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 40.1 mm-40 -61.68 -38.37 87.55 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 123.682 0.793 . . . . 75.32 111.868 178.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -53.19 -41.39 65.21 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.762 0.425 . . . . 74.44 110.497 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 16.5 mmt -60.07 -37.1 78.88 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 124.086 0.866 . . . . 63.41 111.102 -174.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 . . . . . 0 N--CA 1.478 0.964 0 C-N-CA 123.159 0.584 . . . . 74.23 112.041 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 76' ' ' TYR . 2.0 tppp? . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 105.903 -1.888 . . . . 65.32 105.903 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -95.2 128.18 41.83 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.565 -0.532 . . . . 71.14 109.565 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.485 HD13 HD11 ' A' ' 45' ' ' LEU . 3.5 mm? -123.58 110.49 15.09 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 107.428 -1.323 . . . . 75.33 107.428 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.407 HG22 ' HG ' ' A' ' 55' ' ' LEU . 8.4 tt -97.15 124.86 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 108.045 -1.095 . . . . 71.34 108.045 170.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.538 ' HB3' HD21 ' A' ' 64' ' ' LEU . 5.0 mp -106.71 122.03 45.54 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 107.885 -1.154 . . . . 74.42 107.885 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.463 HG21 HD11 ' A' ' 18' ' ' ILE . 2.4 mp -101.29 143.93 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 108.509 -0.923 . . . . 75.34 108.509 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.48 ' HB2' HD11 ' A' ' 64' ' ' LEU . 22.2 t-20 -118.99 109.07 15.52 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 109.143 -0.688 . . . . 73.33 109.143 172.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.55 HG22 HD12 ' A' ' 15' ' ' ILE . 2.0 t -146.08 122.84 11.22 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.428 -0.953 . . . . 72.51 108.428 170.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -86.16 -13.51 46.85 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.495 0.718 . . . . 73.22 109.245 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -75.17 102.75 5.07 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.245 0.618 . . . . 74.14 109.925 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 2.8 m-20 -45.05 -44.9 10.55 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 125.212 1.405 . . . . 75.33 112.326 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -62.53 -41.53 98.93 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.829 0.852 . . . . 71.51 111.489 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.1 tp -69.47 -36.32 76.45 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.841 -0.618 . . . . 71.04 110.762 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.55 HD12 HG22 ' A' ' 9' ' ' THR . 3.6 mm -53.21 -45.62 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 109.539 -0.541 . . . . 72.35 109.539 176.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 69.5 mmtt -58.69 -46.22 87.73 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.764 -1.107 . . . . 74.13 110.765 -176.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.441 ' HE2' HD13 ' A' ' 114' ' ' LEU . 50.9 mtpt -72.72 -35.44 67.56 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 114.553 -1.203 . . . . 65.51 111.076 -174.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.597 ' O ' HG21 ' A' ' 22' ' ' VAL . 76.6 mt -63.48 -46.72 94.41 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 N-CA-C 109.393 -0.595 . . . . 74.32 109.393 175.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.488 ' HE3' HG21 ' A' ' 15' ' ' ILE . 97.3 mttt -55.14 -36.4 65.73 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.124 0.57 . . . . 73.52 111.179 177.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -62.49 -47.99 81.53 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.5 0.72 . . . . 74.3 110.935 174.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 24.9 mm-40 -57.77 -46.35 84.68 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.951 0.782 . . . . 74.31 110.013 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.597 HG21 ' O ' ' A' ' 18' ' ' ILE . 21.7 t -64.23 -32.87 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.032 0.933 . . . . 71.3 110.867 -175.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -73.09 -35.29 66.59 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.033 0.533 . . . . 72.04 110.939 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -68.22 -34.91 77.11 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.462 0.705 . . . . 74.45 109.992 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 79.3 mm-40 -87.14 -22.68 25.19 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 114.927 -1.033 . . . . 63.24 111.17 -177.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.72 49.05 11.22 Favored Glycine 0 C--N 1.343 0.947 0 CA-C-N 116.02 -0.536 . . . . 73.43 113.286 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.414 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 2.7 m-85 -111.66 169.72 8.63 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.53 1.132 . . . . 72.41 108.962 172.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.483 ' HB2' HG21 ' A' ' 54' ' ' ILE . 65.5 mt-30 -87.15 118.61 26.67 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 122.57 0.348 . . . . 73.24 110.423 -178.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.6 t -79.48 118.06 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.173 0.589 . . . . 72.41 110.521 177.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -126.92 133.02 50.74 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.254 1.022 . . . . 75.11 108.443 167.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -130.57 117.09 19.05 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.921 0.488 . . . . 72.04 109.97 170.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.508 HG12 ' HB3' ' A' ' 38' ' ' LEU . 27.3 t -84.32 123.2 38.81 Favored 'Isoleucine or valine' 0 C--O 1.242 0.69 0 C-N-CA 124.041 0.936 . . . . 75.31 109.518 176.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -106.34 -24.65 12.21 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.506 0.722 . . . . 74.45 110.002 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -139.75 150.07 44.34 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.958 0.903 . . . . 73.33 110.474 -170.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 m -65.76 -24.64 66.99 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.009 0.924 . . . . 73.53 113.096 -173.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -76.16 -30.25 58.05 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 122.413 0.285 . . . . 74.1 110.324 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -66.01 -39.86 90.61 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.726 0.41 . . . . 74.43 111.531 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.508 ' HB3' HG12 ' A' ' 32' ' ' VAL . 4.1 pp -67.08 -40.53 87.0 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 123.386 0.429 . . . . 75.3 111.856 -172.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -63.7 -34.44 77.87 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.925 0.393 . . . . 74.44 110.378 -176.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -72.36 -44.67 62.23 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.092 0.957 . . . . 73.33 111.134 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 11.0 pt-20 -78.21 -29.84 48.59 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 119.438 -0.315 . . . . 75.24 111.679 -176.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 34.4 mmt -58.8 -31.91 68.85 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 122.841 0.456 . . . . 73.11 110.261 171.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -70.03 -47.61 61.38 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 115.954 -0.566 . . . . 74.43 110.193 174.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -52.87 -44.18 66.65 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 123.83 0.852 . . . . 64.32 111.216 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 56.6 mt -66.79 -29.7 69.71 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.187 0.995 . . . . 75.41 111.98 -177.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.09 -26.75 16.61 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.88 0.872 . . . . 73.32 112.236 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.03 -42.51 16.09 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.414 0.685 . . . . 73.13 109.991 -177.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -71.59 117.62 13.39 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 108.07 -1.085 . . . . 74.2 108.07 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.46 ' H ' ' HD2' ' A' ' 49' ' ' LYS . 3.1 mptp? -68.34 -63.79 0.99 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.905 0.882 . . . . 74.52 111.065 -164.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -131.91 111.55 11.67 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 109.193 -0.669 . . . . 74.14 109.193 -178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -149.68 172.65 14.73 Favored 'General case' 0 C--O 1.246 0.868 0 C-N-CA 124.936 1.294 . . . . 61.34 107.651 169.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -68.45 158.72 33.12 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.087 0.47 . . . . 72.34 111.532 -174.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -70.67 146.56 49.87 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 114.913 -1.04 . . . . 75.4 110.975 -175.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.483 HG21 ' HB2' ' A' ' 28' ' ' GLN . 3.5 mp -113.16 143.77 22.17 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-N 115.48 -0.782 . . . . 64.13 109.765 -163.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.549 HD13 HG22 ' A' ' 22' ' ' VAL . 6.2 tt -101.75 111.15 23.31 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 108.502 -0.925 . . . . 70.42 108.502 173.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.0 mm -96.46 141.21 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 124.212 1.005 . . . . 72.0 108.373 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.3 mt -125.1 157.77 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 106.681 -1.6 . . . . 74.21 106.681 171.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.4 m -141.62 145.08 34.59 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 123.124 0.57 . . . . 54.4 109.623 167.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -78.12 -13.8 59.72 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 114.686 -1.143 . . . . 72.01 110.085 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -137.43 155.67 49.07 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.557 1.143 . . . . 73.23 110.373 -172.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -87.26 -31.0 20.49 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.06 0.944 . . . . 75.31 112.582 -173.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -70.49 -26.16 63.48 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.856 0.462 . . . . 71.01 110.817 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.2 mt -62.75 -43.54 98.53 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 121.643 0.735 . . . . 64.12 109.603 173.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 6' ' ' LEU . 92.8 mt -64.75 -47.59 77.65 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 114.428 -1.26 . . . . 70.24 110.964 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -53.16 -45.0 68.25 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 123.887 0.742 . . . . 74.45 110.906 -173.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -61.39 -56.55 19.02 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.469 -0.787 . . . . 74.33 111.348 173.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.463 ' SD ' ' HB2' ' A' ' 38' ' ' LEU . 76.1 mtm -62.3 -38.5 89.65 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 113.42 0.896 . . . . 74.23 113.42 -172.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.497 HD21 HD11 ' A' ' 80' ' ' LEU . 78.1 mt -52.97 -43.23 66.24 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.774 0.83 . . . . 65.21 110.874 177.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -81.55 -27.01 34.56 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 114.813 -1.085 . . . . 63.55 111.253 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 85.9 mt -71.05 -51.76 23.44 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.005 0.522 . . . . 74.2 110.399 176.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 70.7 mt -60.06 -32.19 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.443 1.097 . . . . 74.05 110.492 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.1 t -66.77 -43.89 82.83 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.591 -0.732 . . . . 73.21 111.07 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -16.33 57.79 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 117.725 0.239 . . . . 73.5 111.27 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 83.3 mt -70.66 -31.48 68.42 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 108.63 -0.878 . . . . 75.41 108.63 167.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.47 25.63 25.31 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.181 -0.918 . . . . 61.12 111.774 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 2' ' ' LYS . 21.2 m-30 -92.73 167.73 11.69 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 123.79 0.836 . . . . 71.4 111.042 175.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.08 118.99 22.98 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.244 -0.889 . . . . 64.23 109.404 177.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.6 t -101.04 128.56 53.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.341 0.656 . . . . 74.33 110.127 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -125.44 151.0 46.79 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 106.297 -1.742 . . . . 71.44 106.297 171.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.511 HD13 HD12 ' A' ' 64' ' ' LEU . 43.8 tp -139.32 148.06 42.43 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.462 0.705 . . . . 75.43 109.59 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.521 HD13 HG21 ' A' ' 116' ' ' ILE . 35.5 tp -139.84 134.8 32.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.258 -1.756 . . . . 73.5 106.258 174.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.35 142.12 39.69 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 120.937 0.399 . . . . 74.12 111.085 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.01 147.14 39.98 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.386 -0.824 . . . . 74.12 109.542 178.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -146.39 175.17 10.74 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 124.638 1.175 . . . . 70.31 108.829 173.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -78.12 -37.45 46.21 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.208 -0.905 . . . . 75.21 108.836 168.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -98.25 137.98 36.19 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.204 1.002 . . . . 72.01 110.122 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.413 ' HA ' HD12 ' A' ' 90' ' ' LEU . 2.3 tm-20 -88.88 -27.62 20.89 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.171 0.588 . . . . 64.11 110.888 -174.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -62.51 -36.03 81.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 122.003 -0.435 . . . . 73.11 110.493 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -64.18 -42.18 96.81 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.121 0.568 . . . . 73.2 110.386 174.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 87' ' ' GLU . 82.1 mt -61.3 -55.46 31.56 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.195 0.998 . . . . 73.25 112.337 -176.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -68.05 -34.88 77.3 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 123.716 0.635 . . . . 75.55 111.685 -172.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 1.4 pp20? -74.33 -38.33 63.31 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 110.406 -0.22 . . . . 74.4 110.406 -176.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.438 ' O ' HG12 ' A' ' 97' ' ' ILE . 10.9 t80 -71.68 -41.02 69.17 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.955 0.502 . . . . 74.42 110.177 176.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.551 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 19.4 ttpp -62.82 -43.06 99.8 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.199 0.599 . . . . 74.24 111.307 -177.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -68.16 -21.6 64.9 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 115.899 -0.591 . . . . 74.33 111.692 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 32.6 mmtp -65.71 -47.07 76.59 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.943 -0.762 . . . . 72.42 108.943 170.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 93' ' ' PHE . 24.6 mm -68.5 -32.6 56.0 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 CA-C-N 114.368 -1.287 . . . . 72.31 110.973 -174.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -53.74 -48.83 69.27 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.634 0.773 . . . . 70.21 110.557 168.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.1 m -67.08 -40.07 86.92 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.886 0.875 . . . . 72.35 111.299 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -69.86 -20.68 63.4 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.982 0.913 . . . . 63.55 111.785 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.05 32.15 7.26 Favored Glycine 0 C--N 1.342 0.887 0 N-CA-C 113.869 0.307 . . . . 73.33 113.869 172.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -121.45 130.77 53.77 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.357 0.663 . . . . 73.31 109.233 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.63 123.19 23.54 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 109.543 -0.54 . . . . 75.4 109.543 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.5 p -135.82 136.77 49.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.649 0.78 . . . . 74.34 111.346 -170.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -109.24 155.8 20.67 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 124.283 1.033 . . . . 74.01 110.142 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.551 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -136.31 127.72 28.48 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.072 -0.967 . . . . 75.4 109.397 -171.708 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.1 m -140.02 143.97 28.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.163 0.985 . . . . 74.33 109.478 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.8 m -102.59 -21.36 14.18 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.088 0.555 . . . . 72.21 109.591 168.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -90.15 143.11 27.07 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.639 0.776 . . . . 74.25 112.022 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -50.4 74.19 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.762 1.225 . . . . 75.05 110.544 169.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 11.4 pt-20 -56.7 -45.33 81.89 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 124.078 0.861 . . . . 74.13 111.026 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.46 ' O ' HG12 ' A' ' 116' ' ' ILE . 17.3 mm-40 -70.77 -30.2 66.62 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.344 0.658 . . . . 73.43 111.594 -176.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.57 89.98 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.961 0.504 . . . . 73.45 110.484 176.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.441 HD13 ' HE2' ' A' ' 17' ' ' LYS . 70.5 mt -66.83 -32.54 73.88 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.617 -0.72 . . . . 74.02 110.329 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 32.7 mmmt -63.62 -48.31 77.86 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 123.656 0.597 . . . . 74.21 110.431 175.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.521 HG21 HD13 ' A' ' 81' ' ' LEU . 50.9 mm -62.53 -35.08 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 C-N-CA 123.196 0.598 . . . . 75.44 111.567 -177.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 93.8 t -56.38 -45.86 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 122.866 0.466 . . . . 73.33 109.797 174.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -70.83 -38.93 73.26 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 123.77 0.828 . . . . 64.11 110.893 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 21.9 mm-40 -60.07 -37.31 79.52 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.923 0.889 . . . . 74.23 111.691 177.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.18 -33.93 76.54 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 123.426 0.454 . . . . 73.0 110.966 176.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.414 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 16.5 mmt -65.39 -34.46 78.36 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 112.205 0.446 . . . . 74.14 112.205 -174.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 . . . . . 0 N--CA 1.477 0.896 0 C-N-CA 122.804 0.442 . . . . 73.42 110.694 177.326 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 107.754 -1.202 . . . . 65.43 107.754 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 2.9 mp0 -109.27 131.06 55.42 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.302 0.572 . . . . 64.31 110.19 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -120.5 111.88 18.25 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 107.414 -1.328 . . . . 72.24 107.414 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 tt -103.37 116.65 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.396 0.678 . . . . 55.24 109.252 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mp -102.69 121.93 43.42 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.811 -0.811 . . . . 75.53 108.811 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.533 HG22 HD12 ' A' ' 18' ' ' ILE . 2.8 mp -100.28 141.22 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 108.259 -1.015 . . . . 75.13 108.259 176.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.493 ' HB2' HD12 ' A' ' 64' ' ' LEU . 3.4 t-20 -113.58 106.82 14.99 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 123.723 0.809 . . . . 73.32 108.888 174.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.402 HG23 HG12 ' A' ' 15' ' ' ILE . 3.8 t -146.25 131.0 17.97 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 123.587 0.755 . . . . 71.34 109.894 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -94.49 -6.49 43.75 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.31 1.044 . . . . 75.22 109.923 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.471 ' O ' HG13 ' A' ' 15' ' ' ILE . 48.0 t-20 -82.11 113.43 19.96 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.437 1.095 . . . . 75.4 109.341 -176.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.36 -46.85 85.48 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.487 1.115 . . . . 75.54 111.088 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -63.46 -41.55 98.61 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 113.917 -1.492 . . . . 74.12 110.249 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.446 HD12 ' HB2' ' A' ' 110' ' ' ASP . 60.2 tp -69.81 -37.6 76.32 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 118.678 -0.677 . . . . 74.22 111.265 -177.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.491 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 65.8 mt -55.19 -42.38 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 N-CA-C 109.106 -0.701 . . . . 74.21 109.106 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -61.86 -46.68 88.35 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 124.164 0.915 . . . . 74.44 111.301 177.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.608 ' HE2' HD12 ' A' ' 114' ' ' LEU . 57.0 mtpt -60.05 -44.09 94.92 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.769 0.828 . . . . 75.25 111.139 -178.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.533 HD12 HG22 ' A' ' 7' ' ' ILE . 76.1 mt -60.38 -51.54 71.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 O-C-N 124.405 1.066 . . . . 74.34 108.841 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.639 ' HG2' HG13 ' A' ' 29' ' ' VAL . 89.5 mttt -52.64 -41.01 63.38 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 124.448 1.092 . . . . 75.32 111.327 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 20' ' ' LYS . 71.3 mmtt -68.03 -41.7 81.72 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 123.754 0.659 . . . . 74.42 111.269 -178.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 25.6 mm-40 -59.01 -42.98 91.43 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 123.83 0.706 . . . . 74.03 110.472 173.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.496 HG21 ' O ' ' A' ' 18' ' ' ILE . 67.0 t -73.48 -29.69 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 124.568 1.147 . . . . 72.02 111.249 -175.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -75.95 -27.91 57.73 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.513 0.725 . . . . 73.24 110.746 174.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -68.8 -23.51 64.29 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.056 0.542 . . . . 73.43 110.031 174.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.717 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 72.7 mm-40 -97.54 -29.12 13.64 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.206 1.003 . . . . 74.13 110.624 178.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.0 39.41 7.48 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 115.732 -0.667 . . . . 65.33 114.515 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.436 ' HB2' HG12 ' A' ' 22' ' ' VAL . 1.0 OUTLIER -97.51 170.03 9.32 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.257 0.623 . . . . 75.52 110.104 176.284 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.423 HE22 ' HG3' ' A' ' 52' ' ' GLU . 2.5 mp0 -92.04 113.38 25.64 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.329 -0.989 . . . . 73.22 108.329 -176.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.639 HG13 ' HG2' ' A' ' 19' ' ' LYS . 21.3 t -93.81 136.42 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 CA-C-N 118.143 0.429 . . . . 52.23 110.388 177.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -133.22 132.88 42.01 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 107.797 -1.186 . . . . 63.4 107.797 162.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -107.24 116.58 32.18 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 108.0 -1.111 . . . . 62.5 108.0 170.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.569 HG12 HD12 ' A' ' 63' ' ' LEU . 86.4 t -92.09 122.27 43.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 C-N-CA 124.511 1.124 . . . . 74.44 109.415 178.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -109.87 -14.69 14.24 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.748 0.819 . . . . 74.02 110.399 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -150.36 156.39 41.42 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.512 0.725 . . . . 75.21 110.887 -176.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.9 m -62.66 -24.23 67.51 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.142 0.977 . . . . 64.32 112.737 -177.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -76.29 -23.47 54.37 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.057 0.143 . . . . 74.3 110.676 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.52 -47.5 32.57 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.38 0.672 . . . . 74.35 110.889 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.495 ' HB3' HG13 ' A' ' 32' ' ' VAL . 4.4 pp -71.52 -33.55 69.29 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 112.375 0.509 . . . . 73.54 112.375 -173.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -65.48 -32.99 74.9 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.755 0.312 . . . . 75.32 110.447 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -67.65 -44.99 76.58 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 115.237 -0.892 . . . . 75.2 109.823 174.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 52.3 mm-40 -70.35 -34.34 72.52 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.732 0.641 . . . . 74.21 112.732 -175.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 36.6 mmt -65.39 -35.9 82.34 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 109.469 -0.567 . . . . 75.23 109.469 174.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 64.3 tttp -68.12 -43.33 78.64 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 115.558 -0.747 . . . . 63.42 110.111 174.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -55.43 -36.93 67.03 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 124.507 1.123 . . . . 71.53 111.191 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 66.8 mt -67.72 -44.6 77.25 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.359 -0.837 . . . . 74.31 109.756 176.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.81 -22.92 63.26 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.148 0.979 . . . . 75.4 112.092 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 14.1 mm-40 -77.73 -54.99 5.72 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 108.437 -0.949 . . . . 63.35 108.437 174.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -114.56 105.79 13.5 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 114.528 -1.214 . . . . 70.32 110.629 -170.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -101.81 -4.04 27.0 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.786 0.834 . . . . 73.54 109.094 170.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -87.01 29.05 0.85 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.586 1.555 . . . . 71.5 112.504 -172.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -147.33 176.66 9.83 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.293 0.637 . . . . 74.22 109.867 172.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' HG3' HE22 ' A' ' 28' ' ' GLN . 5.9 pt-20 -77.77 -179.83 6.2 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.193 0.997 . . . . 73.43 112.681 -173.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 14.1 ptpt -66.59 153.55 42.75 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.018 1.327 . . . . 72.44 112.694 -174.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.0 mp -122.48 143.1 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.873 0.869 . . . . 75.5 109.514 -169.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 tt -108.65 121.86 45.9 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.456 1.103 . . . . 72.3 109.699 175.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.4 mm -106.05 145.98 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.003 0 C-N-CA 124.196 0.998 . . . . 75.42 109.289 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 61.8 mt -126.33 149.26 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 107.134 -1.432 . . . . 75.34 107.134 170.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.4 t -155.52 151.04 27.18 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.447 0.699 . . . . 71.53 109.41 174.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -87.82 -38.31 15.81 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.318 0.647 . . . . 74.15 109.752 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -95.39 143.78 26.46 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.088 0.955 . . . . 73.13 110.486 -176.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' A' ' 89' ' ' GLU . 61.8 mttp -86.28 -23.47 26.32 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.938 0.895 . . . . 74.34 112.27 -174.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -77.4 -23.18 50.73 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.321 0.248 . . . . 74.32 110.531 178.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.569 HD12 HG12 ' A' ' 32' ' ' VAL . 74.2 mt -67.79 -44.25 77.81 Favored 'General case' 0 C--O 1.253 1.284 0 N-CA-C 109.387 -0.598 . . . . 75.33 109.387 170.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.553 HD13 HD12 ' A' ' 80' ' ' LEU . 87.1 mt -55.26 -49.66 71.48 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 114.473 -1.24 . . . . 73.35 109.575 175.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -48.1 -53.12 17.63 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.456 1.098 . . . . 75.32 110.761 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -53.54 -53.79 46.63 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 124.511 1.132 . . . . 73.33 111.215 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 77.5 mtm -64.3 -47.41 79.58 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.583 -0.735 . . . . 70.44 112.161 -175.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 73.0 mt -52.25 -40.03 61.16 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 124.486 1.114 . . . . 74.2 111.319 -178.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.681 ' HA ' ' HH ' ' A' ' 102' ' ' TYR . 47.2 mt-10 -73.55 -47.72 38.51 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.053 -0.976 . . . . 50.13 110.909 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.66 -48.71 76.13 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 123.619 0.574 . . . . 71.45 112.072 -175.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 96.3 mt -54.54 -35.92 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 125.313 1.445 . . . . 72.24 111.588 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.6 t -59.05 -50.57 73.56 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.971 0.908 . . . . 75.44 111.463 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.05 -7.23 58.76 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 111.652 0.241 . . . . 73.11 111.652 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.0 mt -72.42 -24.49 61.24 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 108.917 -0.771 . . . . 73.45 108.917 166.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.4 39.94 3.82 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 111.37 -0.692 . . . . 75.32 111.37 171.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -123.63 152.03 42.39 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.932 0.893 . . . . 74.04 109.693 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -67.54 119.52 12.46 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 123.919 0.762 . . . . 73.34 110.002 171.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.2 t -92.13 110.17 22.41 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 C-N-CA 123.576 0.75 . . . . 71.32 109.537 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -112.18 144.22 41.94 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 108.174 -1.047 . . . . 73.34 108.174 173.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.553 HD12 HD13 ' A' ' 64' ' ' LEU . 51.9 tp -137.05 146.97 45.84 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.351 -0.981 . . . . 74.5 108.351 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.0 tp -144.86 120.88 10.72 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.346 -1.724 . . . . 73.55 106.346 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -123.54 134.98 53.78 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.453 0.645 . . . . 74.43 110.501 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -130.8 144.19 51.28 Favored 'General case' 0 C--O 1.238 0.447 0 CA-C-N 114.864 -1.062 . . . . 73.3 108.37 176.262 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -165.87 163.5 18.63 Favored 'General case' 0 C--O 1.247 0.924 0 N-CA-C 108.331 -0.988 . . . . 74.31 108.331 174.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -71.34 -38.15 71.65 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.641 -0.503 . . . . 63.44 109.641 174.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -86.16 126.49 34.27 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.358 1.063 . . . . 64.32 109.284 175.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -91.36 -8.16 48.81 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 111.911 0.337 . . . . 75.11 111.911 -176.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -71.53 -39.09 70.96 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 118.902 0.774 . . . . 75.01 109.703 174.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.42 ' HB3' ' HE2' ' A' ' 61' ' ' LYS . 56.5 mm-40 -57.65 -37.36 73.22 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.23 1.012 . . . . 74.44 110.719 173.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 66.8 mt -78.1 -54.91 5.73 Favored 'General case' 0 C--O 1.209 -1.049 0 CA-C-N 115.522 -0.763 . . . . 75.12 111.351 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -67.8 -47.91 67.75 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.617 1.167 . . . . 71.14 111.244 -168.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 53.6 mt-10 -63.43 -48.18 78.82 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 123.669 0.606 . . . . 72.03 110.745 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.411 ' O ' HG12 ' A' ' 97' ' ' ILE . 58.8 t80 -67.13 -39.45 86.6 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 123.565 0.54 . . . . 73.32 110.18 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -58.73 -54.67 44.42 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.262 1.025 . . . . 71.45 111.327 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.451 ' NH2' ' HG2' ' A' ' 92' ' ' GLU . 22.6 ptt180 -65.38 -21.82 66.72 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 123.802 0.688 . . . . 75.23 111.702 -174.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 11.3 mmpt? -69.68 -49.07 57.11 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 109.795 -0.446 . . . . 71.44 109.795 170.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.412 HD13 ' NE2' ' A' ' 100' ' ' GLN . 50.3 mm -65.34 -33.91 66.9 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.277 0 C-N-CA 123.778 0.831 . . . . 75.43 111.277 -177.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -62.83 -39.74 95.28 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.831 0.853 . . . . 65.41 110.726 172.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.8 t -68.16 -37.17 80.73 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.289 0.635 . . . . 74.42 110.568 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.412 ' NE2' HD13 ' A' ' 97' ' ' ILE . 32.8 mt-30 -69.45 -19.11 63.77 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.009 0.924 . . . . 74.43 111.541 175.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 98.44 1.92 57.79 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-O 119.556 -0.58 . . . . 65.33 114.059 173.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.681 ' HH ' ' HA ' ' A' ' 69' ' ' GLU . 19.4 m-85 -86.32 144.59 27.3 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.024 0.53 . . . . 72.41 109.812 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.79 123.51 22.79 Favored 'General case' 0 C--N 1.344 0.367 0 N-CA-C 109.117 -0.697 . . . . 75.45 109.117 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 p -138.12 129.28 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.561 0.744 . . . . 61.13 110.127 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -113.67 143.12 45.12 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.922 -0.769 . . . . 73.15 108.922 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.502 ' HA ' HD12 ' A' ' 82' ' ' LEU . 21.5 ptmt -113.88 143.71 44.23 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.204 0.602 . . . . 71.43 110.178 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 83' ' ' GLN . 6.7 m -152.57 130.18 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.835 1.254 . . . . 65.35 109.468 177.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.4 m -79.75 -33.08 41.01 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.47 0.652 . . . . 75.12 109.716 172.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -88.38 143.15 27.18 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.324 -0.853 . . . . 75.21 111.106 -174.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.446 ' HB2' HD12 ' A' ' 14' ' ' LEU . 6.1 p-10 -76.33 -31.6 58.23 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.155 0.982 . . . . 64.43 109.255 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -54.04 -52.3 61.31 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.394 1.878 . . . . 75.24 110.73 168.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -72.08 -24.14 61.45 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.48 -0.782 . . . . 73.13 111.954 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.416 ' O ' HG22 ' A' ' 117' ' ' VAL . . . -66.61 -45.17 80.03 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.823 0.449 . . . . 72.34 110.111 174.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.608 HD12 ' HE2' ' A' ' 17' ' ' LYS . 95.6 mt -61.39 -37.24 82.72 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 123.769 0.668 . . . . 73.23 110.257 175.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -62.07 -53.53 54.18 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 124.127 0.892 . . . . 74.31 110.75 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 18.7 mt -69.92 -25.77 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.072 0.549 . . . . 75.15 112.333 -173.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.452 ' O ' ' HG3' ' A' ' 121' ' ' MET . 60.7 t -55.22 -44.88 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 109.653 -0.499 . . . . 74.35 109.653 167.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -75.61 -43.97 45.29 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 124.301 1.04 . . . . 75.21 111.308 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -54.27 -40.29 67.67 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.206 1.002 . . . . 65.22 111.058 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -57.25 -50.84 71.62 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.895 0.878 . . . . 73.2 110.836 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.717 ' SD ' ' HG3' ' A' ' 25' ' ' GLN . 59.1 mtt -65.09 -34.41 78.35 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.276 -0.875 . . . . 71.43 112.002 -168.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 . . . . . 0 CA--C 1.545 0.778 0 O-C-N 123.449 0.468 . . . . 63.21 110.935 177.027 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm . . . . . 0 C--O 1.239 0.536 0 N-CA-C 108.822 -0.807 . . . . 74.14 108.822 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.52 ' HG3' ' HB3' ' A' ' 77' ' ' LYS . 3.2 mp0 -91.63 120.69 32.63 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.548 -0.908 . . . . 75.43 108.548 176.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.579 HD12 HD12 ' A' ' 45' ' ' LEU . 4.2 mm? -100.51 112.44 24.81 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 107.951 -1.129 . . . . 74.11 107.951 -177.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 79' ' ' PHE . 5.1 tt -106.11 115.97 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.788 0.835 . . . . 74.03 109.258 -177.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mp -102.53 121.02 41.53 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.194 0.998 . . . . 73.0 108.352 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.521 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 2.8 mp -100.46 132.46 46.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 109.316 -0.624 . . . . 71.42 109.316 177.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.411 ' HB3' ' HA ' ' A' ' 82' ' ' LEU . 3.4 t-20 -99.08 113.12 25.16 Favored 'General case' 0 C--N 1.346 0.418 0 N-CA-C 107.404 -1.332 . . . . 73.45 107.404 168.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.586 HG23 HG12 ' A' ' 15' ' ' ILE . 2.5 t -148.37 117.71 6.92 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 109.302 -0.629 . . . . 64.3 109.302 169.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.68 -0.79 57.59 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.898 -0.592 . . . . 74.43 110.204 170.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -84.7 97.88 9.91 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.917 -1.142 . . . . 75.04 107.917 173.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -51.6 -38.57 55.17 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.444 1.498 . . . . 73.34 112.462 -176.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -60.09 -47.66 84.95 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 124.914 1.384 . . . . 74.13 110.127 -177.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 18' ' ' ILE . 52.8 tp -67.3 -38.5 85.11 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.771 -1.104 . . . . 73.14 111.142 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.586 HG12 HG23 ' A' ' 9' ' ' THR . 58.9 mt -52.85 -45.42 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 C-N-CA 122.911 0.484 . . . . 75.45 110.271 178.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -62.12 -42.43 99.23 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.208 -0.905 . . . . 74.02 111.045 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 58.2 mtpt -65.6 -46.0 81.03 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.242 -0.89 . . . . 75.54 110.886 -178.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.491 ' O ' HG22 ' A' ' 22' ' ' VAL . 74.9 mt -57.51 -46.32 86.01 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 C-N-CA 123.833 0.853 . . . . 73.23 109.873 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.606 ' HG2' HG12 ' A' ' 29' ' ' VAL . 85.4 mttt -51.55 -50.88 59.2 Favored 'General case' 0 N--CA 1.483 1.21 0 O-C-N 124.016 0.823 . . . . 72.32 111.447 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -66.42 -35.31 79.99 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 123.953 0.783 . . . . 74.22 111.808 -177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 36.1 mm-40 -57.45 -50.52 72.75 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 123.752 0.658 . . . . 75.52 109.797 174.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.518 HG21 HD21 ' A' ' 55' ' ' LEU . 54.6 t -71.45 -27.66 29.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 C-N-CA 125.184 1.394 . . . . 72.22 111.527 -174.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -71.6 -33.09 68.7 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.487 0.715 . . . . 62.13 110.78 175.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -83.92 -15.16 48.99 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 122.616 0.366 . . . . 64.21 110.864 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 84.2 mm-40 -83.28 -22.77 32.89 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.174 0.59 . . . . 74.55 109.822 168.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.94 4.54 67.02 Favored Glycine 0 C--N 1.352 1.47 0 N-CA-C 114.46 0.544 . . . . 62.34 114.46 175.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.43 ' CE2' ' SD ' ' A' ' 121' ' ' MET . 1.2 m-85 -85.64 166.81 15.89 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.478 0.711 . . . . 73.12 110.47 -178.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.591 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 70.7 mt-30 -89.23 143.6 26.72 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.986 0.914 . . . . 74.12 109.9 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.606 HG12 ' HG2' ' A' ' 19' ' ' LYS . 20.1 t -121.26 121.78 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 C-N-CA 123.043 0.537 . . . . 75.4 110.408 -178.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.591 ' NH1' ' HB3' ' A' ' 28' ' ' GLN . 10.0 mpt_? -122.73 108.57 13.2 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 109.003 -0.739 . . . . 70.33 109.003 168.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -93.1 122.68 35.71 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.584 -0.895 . . . . 74.02 108.584 173.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.501 HG13 ' HB3' ' A' ' 38' ' ' LEU . 96.6 t -99.09 118.76 46.15 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 C-N-CA 123.459 0.704 . . . . 75.3 109.115 -177.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -111.65 -19.83 12.35 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.509 1.524 . . . . 72.45 109.431 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -137.25 147.82 46.02 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.658 1.183 . . . . 74.14 109.253 -174.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.8 m -64.13 -21.05 66.39 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.929 0.892 . . . . 73.2 112.969 -173.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -76.58 -31.45 57.53 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.048 0.539 . . . . 75.24 110.135 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.9 -30.37 68.84 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.47 0.708 . . . . 72.12 111.995 -177.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.501 ' HB3' HG13 ' A' ' 32' ' ' VAL . 4.0 pp -78.55 -42.23 29.86 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 117.762 0.255 . . . . 73.41 110.697 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -73.8 -31.76 63.41 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.811 0.444 . . . . 73.21 111.516 -172.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.422 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 22.2 ptmt -67.14 -35.19 79.18 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 123.35 0.406 . . . . 72.32 109.906 175.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.519 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 61.4 mm-40 -77.45 -33.24 54.81 Favored 'General case' 0 C--O 1.21 -0.998 0 CA-C-N 115.914 -0.585 . . . . 74.11 111.18 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.446 ' HG3' HD12 ' A' ' 70' ' ' LEU . 35.7 mmt -60.61 -33.43 72.74 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 118.437 0.562 . . . . 74.24 110.446 174.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.61 -50.74 63.95 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.683 0.793 . . . . 72.33 110.921 173.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 14.0 mmmm -60.55 -47.7 85.03 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.666 0.786 . . . . 65.42 111.319 -177.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.579 HD12 HD12 ' A' ' 4' ' ' LEU . 54.9 mt -74.53 -30.99 61.99 Favored 'General case' 0 C--O 1.219 -0.52 0 C-N-CA 123.58 0.752 . . . . 72.23 111.026 -173.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.19 -55.99 17.87 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.384 0.673 . . . . 74.44 110.811 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -73.17 -43.34 61.62 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.55 -1.205 . . . . 63.33 111.709 -170.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -82.42 118.48 23.24 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 108.732 -0.84 . . . . 70.42 108.732 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -105.62 -66.89 0.95 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 120.68 0.276 . . . . 74.2 111.631 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -76.96 94.06 3.9 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.325 0.65 . . . . 75.44 110.476 -174.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -172.75 -177.48 1.68 Allowed 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 125.067 1.347 . . . . 75.31 109.333 171.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.61 153.79 40.6 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 120.915 0.388 . . . . 72.34 111.877 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -81.66 149.76 28.38 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.578 -0.737 . . . . 73.42 110.564 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.44 ' N ' HD13 ' A' ' 54' ' ' ILE . 3.4 mp -112.23 132.35 61.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 115.013 -0.994 . . . . 74.45 109.684 -163.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.518 HD21 HG21 ' A' ' 22' ' ' VAL . 4.0 tt -91.68 115.12 27.79 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.324 -0.853 . . . . 73.51 108.879 172.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.7 mm -98.04 138.71 21.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 124.092 0.957 . . . . 74.23 108.465 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 56.3 mt -117.09 154.99 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 N-CA-C 107.179 -1.415 . . . . 74.51 107.179 165.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.3 t -156.02 145.79 21.16 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.206 -1.035 . . . . 74.44 108.206 167.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -105.24 23.75 13.19 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 124.001 0.92 . . . . 74.45 110.843 -175.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.433 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 20.9 t70 -145.12 136.84 25.47 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 123.011 0.524 . . . . 74.15 110.369 176.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -71.08 -33.88 70.63 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.25 1.02 . . . . 74.32 111.527 -172.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -75.34 -33.31 61.1 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.709 0.404 . . . . 74.33 110.81 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.479 HD13 HG12 ' A' ' 32' ' ' VAL . 53.8 mt -65.66 -44.21 87.01 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 109.418 -0.586 . . . . 74.21 109.418 178.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 37.1 mt -58.94 -51.54 69.59 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 114.604 -1.18 . . . . 74.04 110.978 174.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -56.29 -41.92 76.68 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.585 1.154 . . . . 74.03 111.505 -174.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -61.23 -53.4 57.34 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 123.695 0.622 . . . . 73.31 111.174 172.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.492 ' SD ' ' HB2' ' A' ' 38' ' ' LEU . 76.7 mtm -62.37 -30.7 71.38 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.86 0.689 . . . . 75.01 112.86 -176.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.47 HD11 HD21 ' A' ' 80' ' ' LEU . 80.4 mt -60.55 -43.22 97.47 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.001 0.52 . . . . 73.03 110.751 177.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.494 ' HG2' ' HH ' ' A' ' 102' ' ' TYR . 75.9 mt-10 -81.28 -29.98 34.14 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.225 -0.898 . . . . 75.44 111.39 -178.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 90.7 mt -67.85 -54.67 17.11 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.042 0.537 . . . . 74.11 109.99 176.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.412 HG23 HG23 ' A' ' 78' ' ' VAL . 98.1 mt -59.94 -30.1 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 124.555 1.142 . . . . 71.4 111.399 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.9 t -66.4 -40.55 89.7 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.123 0.569 . . . . 72.43 111.237 175.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -16.1 40.58 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 119.569 -0.253 . . . . 73.41 111.365 177.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 51.4 mt -71.42 -34.99 70.81 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 108.856 -0.794 . . . . 73.45 108.856 170.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.78 67.18 0.98 Allowed Glycine 0 C--N 1.346 1.129 0 CA-C-N 115.53 -0.759 . . . . 71.52 111.751 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -141.17 151.98 44.29 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.443 1.097 . . . . 64.01 109.677 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.52 ' HB3' ' HG3' ' A' ' 3' ' ' GLU . 49.9 tptt -70.05 108.73 4.2 Favored 'General case' 0 C--N 1.352 0.678 0 N-CA-C 108.586 -0.894 . . . . 75.41 108.586 175.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.412 HG23 HG23 ' A' ' 71' ' ' ILE . 39.2 t -89.15 130.25 38.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 123.685 0.794 . . . . 75.1 109.59 -172.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.414 ' HB3' ' HA ' ' A' ' 5' ' ' ILE . 21.3 t80 -128.32 145.3 51.11 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 106.913 -1.514 . . . . 75.13 106.913 177.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.47 HD21 HD11 ' A' ' 68' ' ' LEU . 56.8 tp -139.51 102.05 4.37 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 108.995 -0.743 . . . . 63.34 108.995 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.521 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 46.2 tp -92.59 111.55 23.18 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 107.358 -1.349 . . . . 65.34 107.358 171.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 3.8 pp -111.27 144.38 40.53 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.33 0.513 . . . . 73.45 110.866 -176.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.04 150.39 25.67 Favored 'General case' 0 C--O 1.244 0.763 0 C-N-CA 124.051 0.94 . . . . 72.3 109.622 -176.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -164.45 172.53 13.24 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-N 114.834 -1.076 . . . . 75.04 108.263 172.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -78.96 -15.75 57.86 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.28 0.632 . . . . 71.45 110.655 173.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -101.21 142.15 33.06 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.486 1.114 . . . . 73.42 109.701 173.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -90.38 -37.44 13.99 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.542 0.737 . . . . 75.03 111.848 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -57.11 -44.57 83.37 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.394 0.678 . . . . 73.33 111.891 -170.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -63.46 -37.4 87.15 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 115.327 -0.851 . . . . 72.13 111.59 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 70.1 mt -72.06 -53.76 11.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.759 0.824 . . . . 75.12 111.999 -173.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.8 -42.45 99.02 Favored 'General case' 0 C--O 1.247 0.948 0 C-N-CA 123.577 0.751 . . . . 74.13 111.792 -174.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.554 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 1.7 pp20? -74.99 -32.11 61.58 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 123.823 0.702 . . . . 74.15 110.599 -177.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.521 ' O ' HG12 ' A' ' 97' ' ' ILE . 6.0 t80 -69.19 -49.28 58.05 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.401 -0.592 . . . . 73.43 109.401 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.403 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 20.8 ttpt -55.88 -51.92 65.87 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.157 0.983 . . . . 74.11 111.92 -176.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -59.74 -28.5 67.41 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 123.806 0.691 . . . . 74.22 112.435 -175.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 30.7 mmtp -69.86 -51.32 34.38 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.451 -0.574 . . . . 75.31 109.451 175.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 93' ' ' PHE . 34.7 mm -68.09 -28.87 42.62 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.421 0 CA-C-N 114.564 -1.198 . . . . 74.41 111.487 -171.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -61.44 -46.75 88.78 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 123.584 0.754 . . . . 72.12 110.636 169.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.0 t -72.44 -17.95 61.74 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.292 -0.867 . . . . 71.31 111.185 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -90.3 1.61 56.36 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.335 1.054 . . . . 70.43 111.512 175.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 73.91 31.4 60.1 Favored Glycine 0 C--N 1.35 1.355 0 N-CA-C 114.156 0.422 . . . . 65.0 114.156 171.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.503 ' HB2' HG22 ' A' ' 97' ' ' ILE . 38.7 m-85 -110.89 139.58 46.1 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 108.725 -0.842 . . . . 75.22 108.725 174.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -73.36 88.59 1.57 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.077 0.551 . . . . 72.55 109.915 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.0 p -109.19 136.22 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.614 0.766 . . . . 72.43 110.721 -173.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -123.55 146.1 48.38 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.695 1.198 . . . . 74.11 108.928 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.403 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 28.5 ttpp -114.56 129.8 56.7 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.391 0.676 . . . . 71.53 110.532 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.9 m -135.34 133.52 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 108.615 -0.883 . . . . 74.32 108.615 173.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.3 m -97.41 -0.37 46.39 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 121.528 0.68 . . . . 71.34 110.063 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -125.3 150.52 47.04 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.494 0.717 . . . . 72.34 111.017 -171.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -57.86 -55.28 36.95 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.418 1.487 . . . . 62.13 111.393 173.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.48 -38.76 92.15 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.786 0.834 . . . . 72.04 111.781 -174.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -65.28 -31.24 72.29 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.465 0.706 . . . . 63.44 110.908 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.72 70.33 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.342 0.657 . . . . 73.52 110.626 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.42 HD22 ' HG3' ' A' ' 21' ' ' GLU . 89.5 mt -61.64 -33.34 73.78 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.457 0.703 . . . . 74.33 110.821 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -62.58 -57.51 10.85 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 123.698 0.624 . . . . 73.34 111.116 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 56.0 mt -64.98 -28.64 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 123.047 0.539 . . . . 74.3 111.81 -174.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 50.1 t -58.76 -48.78 85.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 C-N-CA 123.436 0.695 . . . . 73.34 110.977 171.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -76.41 -44.73 34.74 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.706 0.802 . . . . 73.31 111.377 -175.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.58 -26.21 68.31 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.816 0.847 . . . . 74.3 112.06 175.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -57.9 -42.02 83.84 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.914 0.486 . . . . 75.31 110.356 173.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.43 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 11.9 mmt -59.62 -23.33 62.91 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 124.033 0.833 . . . . 74.12 112.571 -172.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 . . . . . 0 CA--C 1.561 1.375 0 C-N-CA 123.358 0.663 . . . . 72.25 111.116 173.363 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt . . . . . 0 C--O 1.243 0.737 0 CA-C-O 121.778 0.799 . . . . 72.31 110.725 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.53 ' HG3' ' HD2' ' A' ' 77' ' ' LYS . 2.0 mp0 -113.46 133.27 55.3 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-N 113.382 -1.735 . . . . 73.12 108.756 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.84 111.73 20.11 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 107.632 -1.248 . . . . 75.11 107.632 173.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.47 HG23 ' HG ' ' A' ' 55' ' ' LEU . 3.8 tt -108.04 128.57 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 123.901 0.88 . . . . 75.04 108.798 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -112.57 120.21 40.8 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 107.913 -1.143 . . . . 74.34 107.913 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.471 HG21 HD12 ' A' ' 18' ' ' ILE . 3.1 mp -99.37 141.48 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 N-CA-C 108.057 -1.09 . . . . 70.22 108.057 176.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.529 ' HB2' HD11 ' A' ' 64' ' ' LEU . 27.2 t-20 -121.47 112.6 18.72 Favored 'General case' 0 C--N 1.345 0.413 0 C-N-CA 122.948 0.499 . . . . 73.15 110.063 173.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.5 t -146.53 124.05 11.73 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 108.128 -1.064 . . . . 72.32 108.128 165.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -79.85 -18.04 51.76 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 122.704 0.402 . . . . 73.24 110.06 174.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -67.47 102.44 1.13 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.166 -1.05 . . . . 73.41 108.166 175.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -58.68 -35.24 72.29 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.755 1.222 . . . . 71.5 112.265 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -72.7 -37.14 67.93 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.277 -0.874 . . . . 61.15 110.586 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.517 HD13 ' HB2' ' A' ' 110' ' ' ASP . 41.3 tp -71.53 -31.23 66.81 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.896 0.478 . . . . 72.1 110.965 177.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.49 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 65.2 mt -52.24 -45.16 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 N-CA-C 109.424 -0.584 . . . . 64.43 109.424 173.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -60.6 -41.9 95.7 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.582 1.153 . . . . 74.14 111.866 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -66.18 -40.38 90.42 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.666 0.786 . . . . 75.24 110.887 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.588 ' O ' HG22 ' A' ' 22' ' ' VAL . 60.6 mt -65.92 -40.49 87.61 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 CA-C-N 115.482 -0.781 . . . . 72.11 108.975 176.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 83.5 mttt -56.31 -51.61 67.57 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.615 0.766 . . . . 71.12 111.435 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -32.02 73.11 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.329 0.393 . . . . 74.41 111.345 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.521 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 61.6 mm-40 -62.15 -40.64 96.64 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.589 0.355 . . . . 71.54 111.355 172.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 18' ' ' ILE . 57.9 t -67.08 -31.36 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.888 0.875 . . . . 70.53 110.917 177.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.47 -29.73 61.57 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.566 0.746 . . . . 74.15 110.643 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -67.1 -30.74 70.84 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.048 0.539 . . . . 74.14 110.048 172.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 62.9 mm-40 -84.85 -27.58 26.63 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.435 0.694 . . . . 75.5 110.063 177.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.79 33.49 15.62 Favored Glycine 0 C--N 1.356 1.677 0 C-N-CA 123.692 0.663 . . . . 75.12 114.063 176.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.441 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 2.3 m-85 -99.5 165.68 11.52 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.815 0.846 . . . . 74.42 110.189 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.487 ' HB2' HG23 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -77.03 112.99 14.26 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 107.718 -1.215 . . . . 70.22 107.718 178.801 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.76 101.17 6.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 O-C-N 123.777 0.673 . . . . 74.44 109.42 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -116.81 109.17 16.76 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.217 0.607 . . . . 74.21 109.395 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -101.74 116.42 32.7 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 108.556 -0.905 . . . . 74.35 108.556 173.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.578 HG13 HD11 ' A' ' 63' ' ' LEU . 84.2 t -90.0 119.78 37.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 C-N-CA 123.962 0.905 . . . . 74.32 108.798 175.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -116.67 -7.62 11.53 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.24 1.016 . . . . 72.25 109.373 175.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -131.13 143.4 50.61 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.44 1.096 . . . . 61.04 109.856 -172.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.7 m -70.58 -24.4 62.76 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.797 0.839 . . . . 75.42 112.937 -173.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.506 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 17.4 t70 -80.99 -31.02 34.87 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.805 -0.443 . . . . 73.54 109.805 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -54.18 -50.08 67.84 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.846 0.459 . . . . 75.41 111.924 175.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.549 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.2 pp -62.5 -40.91 98.25 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.541 0.526 . . . . 73.02 111.541 -173.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 17.6 ptpt -66.61 -34.51 78.05 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 110.483 -0.192 . . . . 73.22 110.483 -175.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -61.4 -49.1 78.26 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.161 0.984 . . . . 75.32 111.183 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 5.7 pt-20 -82.81 -26.68 31.52 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.387 -0.824 . . . . 74.45 112.119 -173.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 37.3 mmt -62.73 -39.2 93.33 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.262 0.553 . . . . 71.12 109.956 171.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.54 -43.64 69.15 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.119 -0.946 . . . . 74.2 110.44 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -54.04 -34.07 59.01 Favored 'General case' 0 N--CA 1.501 2.085 0 C-N-CA 124.163 0.985 . . . . 75.14 112.225 177.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 96.2 mt -57.33 -48.7 78.3 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.751 0.821 . . . . 74.3 111.082 174.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.02 -17.24 33.42 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.166 0.986 . . . . 74.22 112.223 -176.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -74.67 -52.83 10.58 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.99 0.516 . . . . 74.52 109.833 177.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -81.57 138.15 35.43 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 109.188 -0.671 . . . . 74.11 109.188 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -77.67 -50.79 11.74 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.754 0.822 . . . . 75.44 111.296 -173.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -141.27 121.21 13.61 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.897 0.479 . . . . 74.02 110.647 -173.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.41 ' CE2' HD12 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -169.22 163.56 10.92 Favored 'General case' 0 C--O 1.25 1.123 0 C-N-CA 124.907 1.283 . . . . 75.11 108.493 175.353 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.4 160.74 26.76 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.726 0.81 . . . . 64.24 111.76 -175.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.43 ' HE3' ' OH ' ' A' ' 27' ' ' TYR . 42.2 pttt -71.82 148.79 45.89 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 114.727 -1.124 . . . . 75.33 111.954 -177.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.487 HG23 ' HB2' ' A' ' 28' ' ' GLN . 2.7 mp -112.08 146.91 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.713 1.205 . . . . 73.4 108.49 -172.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.47 ' HG ' HG23 ' A' ' 5' ' ' ILE . 9.4 tt -109.18 122.25 46.9 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 108.964 -0.754 . . . . 73.3 108.964 175.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.7 mm -104.94 130.25 56.3 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 124.475 1.11 . . . . 75.5 109.453 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.413 HG21 HG22 ' A' ' 15' ' ' ILE . 51.7 mt -111.33 153.12 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 106.909 -1.515 . . . . 72.2 106.909 167.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.8 t -150.43 144.81 25.66 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 109.327 -0.62 . . . . 64.41 109.327 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -96.94 1.74 50.75 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.377 1.071 . . . . 71.11 110.851 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -136.01 141.69 44.38 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.859 0.864 . . . . 71.33 110.943 -177.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.74 -21.73 25.0 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.099 0.96 . . . . 75.1 113.215 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -67.91 -35.57 78.69 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 109.796 -0.446 . . . . 73.21 109.796 176.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.578 HD11 HG13 ' A' ' 32' ' ' VAL . 57.4 mt -64.41 -44.61 90.7 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 123.628 0.771 . . . . 72.21 110.134 177.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.529 HD11 ' HB2' ' A' ' 8' ' ' ASN . 78.9 mt -57.26 -50.29 73.35 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 114.693 -1.14 . . . . 70.43 110.241 177.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -62.64 -40.91 98.51 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 124.459 1.1 . . . . 71.33 110.953 -166.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -60.62 -53.88 52.05 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.432 -0.804 . . . . 73.01 111.267 170.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.427 ' SD ' ' HB2' ' A' ' 38' ' ' LEU . 75.9 mtm -63.9 -30.87 71.91 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.001 0.741 . . . . 74.33 113.001 -173.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 88.9 mt -58.58 -35.67 72.77 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.359 0.663 . . . . 71.31 111.124 176.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -83.04 -36.44 24.96 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.121 0.968 . . . . 71.54 111.136 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.2 -52.88 52.06 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.827 0.851 . . . . 73.32 111.325 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 71.8 mt -64.35 -30.54 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 124.153 0.981 . . . . 75.41 110.685 178.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.2 t -68.75 -42.74 77.12 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.513 0.725 . . . . 71.22 110.955 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -22.33 53.06 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.092 0.157 . . . . 72.32 111.169 178.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.0 mt -71.33 -29.78 65.42 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.408 0.683 . . . . 74.11 109.606 170.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.05 10.38 56.24 Favored Glycine 0 C--N 1.345 1.081 0 CA-C-N 115.234 -0.894 . . . . 65.2 113.122 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' ' 45' ' ' LEU . 35.0 m-85 -83.54 166.14 18.5 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 117.404 0.602 . . . . 73.44 111.27 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.53 ' HD2' ' HG3' ' A' ' 3' ' ' GLU . 30.2 ttmt -78.39 113.88 16.78 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.686 -1.143 . . . . 74.33 109.857 -177.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -90.82 119.89 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 123.806 0.842 . . . . 73.52 109.99 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -117.88 137.99 52.43 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 106.582 -1.636 . . . . 73.45 106.582 170.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.428 HD22 HG13 ' A' ' 97' ' ' ILE . 59.3 tp -132.21 102.91 5.97 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 109.389 -0.597 . . . . 75.23 109.389 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.1 tp -86.44 129.74 34.75 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 107.602 -1.258 . . . . 65.31 107.602 166.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 pp -133.99 142.25 47.58 Favored 'General case' 0 C--O 1.245 0.827 0 N-CA-C 108.935 -0.765 . . . . 74.15 108.935 176.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.86 142.81 30.23 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 108.775 -0.824 . . . . 62.55 108.775 178.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.552 ' N ' HD22 ' A' ' 90' ' ' LEU . 13.2 m-20 -150.07 166.35 30.02 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.042 1.337 . . . . 73.32 108.246 177.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -81.17 -30.79 34.29 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 115.461 -0.791 . . . . 65.4 109.538 168.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -82.5 106.14 14.13 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.416 0.686 . . . . 70.54 109.315 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.495 ' HA ' HD13 ' A' ' 90' ' ' LEU . 10.0 tp10 -65.72 -34.05 77.29 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.648 0.779 . . . . 73.53 110.951 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -64.76 -34.22 77.81 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.011 0.524 . . . . 64.54 110.991 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -68.77 -41.05 79.34 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.718 0.407 . . . . 75.43 111.005 174.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.552 HD22 ' N ' ' A' ' 84' ' ' ASP . 82.3 mt -61.11 -55.31 33.92 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.171 0.988 . . . . 74.41 112.506 -177.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -61.8 -45.2 94.89 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.018 0.824 . . . . 71.22 111.338 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 35.5 mm-40 -68.13 -46.53 70.63 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.073 0.549 . . . . 73.15 111.856 -177.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -66.3 -38.06 86.87 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.608 0.363 . . . . 74.45 111.175 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.474 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 29.1 ttpp -67.09 -48.07 69.3 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.8 0.44 . . . . 74.24 111.613 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -65.79 -19.14 65.78 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.477 0.547 . . . . 71.52 112.477 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 10.6 mmpt? -61.89 -51.18 69.21 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 108.976 -0.75 . . . . 73.1 108.976 168.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.451 HG22 ' HB2' ' A' ' 102' ' ' TYR . 17.6 mm -70.51 -34.65 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-N 114.078 -1.419 . . . . 74.43 110.954 -175.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -65.99 -38.41 88.43 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.696 0.799 . . . . 75.32 111.209 172.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.4 t -70.35 -29.52 66.23 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 122.987 0.515 . . . . 71.03 110.527 176.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -77.2 -22.51 52.24 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.733 0.813 . . . . 74.21 110.455 173.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.54 47.41 6.38 Favored Glycine 0 C--N 1.35 1.324 0 CA-C-N 115.994 -0.548 . . . . 74.13 113.0 175.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.451 ' HB2' HG22 ' A' ' 97' ' ' ILE . 79.1 m-85 -112.83 151.01 30.9 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 109.529 -0.545 . . . . 70.31 109.529 173.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -65.61 94.17 0.19 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.309 1.044 . . . . 72.24 109.784 175.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.9 p -114.35 150.73 16.27 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 C-N-CA 123.588 0.755 . . . . 74.04 110.134 -177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.501 ' HB3' HD12 ' A' ' 116' ' ' ILE . 26.9 mmm180 -139.22 150.25 45.31 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.41 1.484 . . . . 73.41 108.602 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.474 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 1.4 tmmt? -141.56 143.35 33.69 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.527 0.731 . . . . 74.44 111.277 -175.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.469 HG13 HD11 ' A' ' 116' ' ' ILE . 2.5 m -149.79 158.52 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.957 1.303 . . . . 61.22 109.819 173.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.8 m -105.21 -33.64 8.17 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.96 -1.018 . . . . 75.3 109.818 174.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -85.0 143.2 29.08 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.459 0.703 . . . . 64.43 111.323 -177.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.517 ' HB2' HD13 ' A' ' 14' ' ' LEU . 5.0 p-10 -63.75 -45.36 90.16 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.042 1.337 . . . . 72.34 111.983 178.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.74 -34.8 79.18 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.616 1.167 . . . . 72.43 111.544 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -78.21 -23.97 47.25 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.41 -0.814 . . . . 70.31 110.813 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.426 ' HA ' HG22 ' A' ' 107' ' ' VAL . . . -67.34 -38.85 85.53 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.084 0.554 . . . . 75.03 110.817 172.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.475 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 38.8 mt -65.94 -29.82 70.29 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.336 -0.847 . . . . 74.25 110.579 175.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -68.51 -45.13 73.1 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 124.04 0.936 . . . . 71.1 111.308 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.501 HD12 ' HB3' ' A' ' 105' ' ' ARG . 19.7 mt -69.41 -26.4 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 122.916 0.486 . . . . 75.2 111.916 -175.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.25 -38.7 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 CA-C-O 121.188 0.518 . . . . 72.12 109.798 170.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -75.25 -42.4 55.24 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.22 1.008 . . . . 74.55 110.932 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.6 -33.42 73.87 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.572 0.749 . . . . 72.31 112.242 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -54.1 -45.35 71.8 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.893 0.877 . . . . 75.12 111.154 173.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.496 ' HE1' ' HG3' ' A' ' 25' ' ' GLN . 17.6 mmt -61.13 -42.19 98.09 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 114.934 -1.03 . . . . 74.34 111.187 -174.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 . . . . . 0 CA--C 1.553 1.082 0 C-N-CA 123.094 0.558 . . . . 74.02 111.863 -177.642 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.568 ' HZ1' HD13 ' A' ' 54' ' ' ILE . 48.5 mtpt . . . . . 0 C--O 1.242 0.709 0 CA-C-O 121.542 0.687 . . . . 70.33 110.971 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -115.89 161.04 19.37 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-N 114.713 -1.13 . . . . 74.33 108.642 170.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.67 113.16 8.43 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 107.124 -1.435 . . . . 74.21 107.124 176.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.1 tt -107.71 130.07 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.389 0.675 . . . . 70.15 109.854 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mp -106.22 128.41 53.93 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 108.094 -1.076 . . . . 72.31 108.094 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 mp -104.17 142.83 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 106.811 -1.552 . . . . 70.11 106.811 165.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.449 ' CB ' HD12 ' A' ' 64' ' ' LEU . 27.2 t-20 -134.13 123.37 24.31 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.16 -1.052 . . . . 75.03 108.16 163.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 83' ' ' GLN . 7.9 t -145.77 129.0 16.72 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.32 -0.992 . . . . 63.13 108.32 167.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -89.49 11.54 19.1 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.824 -0.626 . . . . 73.21 110.113 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -92.92 104.57 16.79 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 107.86 -1.163 . . . . 73.42 107.86 171.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.79 -46.06 85.16 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.277 1.031 . . . . 74.24 111.889 -168.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 11.2 pt-20 -61.15 -39.25 89.37 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.868 -0.605 . . . . 75.03 111.4 -178.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.3 tp -69.49 -39.35 77.68 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.057 0.543 . . . . 75.41 110.677 -178.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.67 HG21 HG22 ' A' ' 57' ' ' ILE . 66.1 mt -51.2 -49.03 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 CA-C-O 121.236 0.541 . . . . 75.51 110.478 176.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 94.5 mttt -60.93 -39.99 91.51 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.308 -1.315 . . . . 75.22 111.152 -177.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 58.9 mtpt -68.53 -43.68 76.2 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.939 0.775 . . . . 73.4 111.054 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.438 ' O ' HG21 ' A' ' 22' ' ' VAL . 67.9 mt -61.14 -43.15 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 123.94 0.775 . . . . 73.03 109.987 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -49.59 -53.88 21.39 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 123.743 0.652 . . . . 74.55 110.44 174.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 71.4 mmtt -66.83 -34.56 78.07 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.304 0.642 . . . . 71.02 112.168 -173.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 17.0 mm-40 -59.73 -48.22 82.56 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.049 0.54 . . . . 70.02 110.028 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' ' 18' ' ' ILE . 58.4 t -76.25 -32.96 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 C-N-CA 124.829 1.252 . . . . 74.45 111.83 -172.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -76.74 -21.33 55.41 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.465 0.706 . . . . 63.32 110.695 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -70.8 -30.04 66.39 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.165 0.586 . . . . 74.31 110.203 169.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.673 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 45.1 mm-40 -83.7 -23.64 31.6 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.981 0.513 . . . . 75.13 110.589 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.97 7.3 57.56 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-N 116.017 -0.538 . . . . 73.41 113.436 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -76.32 163.25 27.19 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.219 0.608 . . . . 74.33 110.851 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.57 HE21 HG13 ' A' ' 54' ' ' ILE . 1.5 mp0 -86.37 111.59 20.64 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.852 -0.796 . . . . 63.33 108.852 -176.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.8 t -98.18 124.64 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 109.518 -0.549 . . . . 63.22 109.518 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.86 117.34 23.15 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 108.907 -0.775 . . . . 75.53 108.907 168.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.476 ' HA ' ' O ' ' A' ' 57' ' ' ILE . 7.3 p-10 -90.47 113.35 25.28 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 108.878 -0.786 . . . . 74.52 108.878 171.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.485 HG12 ' HB2' ' A' ' 38' ' ' LEU . 82.7 t -97.56 121.23 47.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 124.019 0.927 . . . . 73.33 109.072 177.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -110.69 -27.7 8.78 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.634 1.173 . . . . 62.0 108.74 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -135.78 154.12 51.32 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.739 1.215 . . . . 72.24 109.108 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.5 m -63.15 -22.05 66.6 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.35 1.06 . . . . 75.51 113.292 -172.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -82.72 -21.02 34.94 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.928 0.491 . . . . 73.31 111.621 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -75.73 -33.88 60.29 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.001 0.52 . . . . 73.34 109.766 171.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.528 HD13 ' HE3' ' A' ' 67' ' ' MET . 8.4 tp -64.88 -62.0 1.83 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.519 1.128 . . . . 72.32 110.546 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -58.8 -27.11 64.73 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.512 0.725 . . . . 65.42 111.961 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.548 ' HB2' ' HZ1' ' A' ' 40' ' ' LYS . 4.3 ttmp? -64.36 -54.9 25.67 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 125.331 1.452 . . . . 75.21 111.144 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -78.49 -27.41 46.21 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.58 -0.737 . . . . 71.41 111.349 -172.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.453 ' HE3' HD12 ' A' ' 45' ' ' LEU . 3.9 mmt -56.57 -41.86 77.63 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.067 0.947 . . . . 73.44 110.668 173.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -62.7 -44.19 96.88 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 115.594 -0.73 . . . . 74.42 110.752 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -64.62 -31.99 73.46 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.687 0.617 . . . . 73.4 111.162 -177.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.453 HD12 ' HE3' ' A' ' 42' ' ' MET . 79.9 mt -65.95 -42.24 90.25 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.109 0.564 . . . . 74.01 110.918 174.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.73 -41.03 75.84 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 123.869 0.731 . . . . 71.01 111.153 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.75 -55.22 9.11 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.319 0.648 . . . . 71.11 110.966 -176.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -78.62 115.11 18.1 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.349 -0.982 . . . . 64.2 108.349 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -80.74 -65.23 1.04 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.572 0.582 . . . . 75.13 112.572 -171.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -110.73 96.74 6.36 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 121.903 0.859 . . . . 74.22 111.818 -168.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -152.81 169.37 22.96 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.781 1.632 . . . . 74.13 106.988 167.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.49 -172.67 2.62 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 112.995 0.739 . . . . 75.4 112.995 -170.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -71.29 151.53 44.13 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.833 0.853 . . . . 72.34 110.738 -165.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.57 HG13 HE21 ' A' ' 28' ' ' GLN . 4.1 mp -118.73 141.71 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.53 0.732 . . . . 74.31 109.097 -174.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.42 HD22 HG23 ' A' ' 22' ' ' VAL . 5.5 tt -121.75 112.01 17.85 Favored 'General case' 0 C--O 1.245 0.868 0 C-N-CA 124.357 1.063 . . . . 74.41 109.657 -176.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 32.2 mm -104.8 110.71 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 115.446 -0.797 . . . . 74.23 109.93 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.67 HG22 HG21 ' A' ' 15' ' ' ILE . 54.0 mt -86.96 121.74 38.1 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 N-CA-C 107.399 -1.334 . . . . 72.33 107.399 171.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.5 t -114.13 138.93 49.78 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.734 -1.209 . . . . 75.22 107.734 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.455 ' N ' HD21 ' A' ' 59' ' ' ASN . 0.7 OUTLIER -89.28 -5.35 57.65 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.127 0.571 . . . . 64.43 110.463 -176.617 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -136.7 140.98 43.07 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.844 0.858 . . . . 75.11 110.014 -175.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -85.54 -17.78 35.33 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.215 0.606 . . . . 75.15 112.56 -173.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -76.27 -32.7 58.98 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.36 -0.607 . . . . 71.42 109.36 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.9 -32.86 74.4 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.569 0.748 . . . . 64.43 110.559 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.449 HD12 ' CB ' ' A' ' 8' ' ' ASN . 95.6 mt -58.13 -54.08 50.97 Favored 'General case' 0 C--N 1.359 1.012 0 O-C-N 123.766 0.666 . . . . 75.12 110.441 176.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.448 ' HE3' ' OE1' ' A' ' 100' ' ' GLN . 21.2 tptm -53.5 -48.69 68.73 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 124.284 0.99 . . . . 74.44 111.19 -173.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -59.35 -46.94 87.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.185 0.994 . . . . 63.43 110.885 177.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.528 ' HE3' HD13 ' A' ' 38' ' ' LEU . 30.2 ttm -63.95 -44.64 92.22 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.964 0.906 . . . . 65.51 111.194 -176.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 70.6 mt -53.97 -44.46 70.79 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 125.088 1.355 . . . . 71.35 111.075 177.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -67.55 -44.17 78.93 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.159 -0.928 . . . . 72.23 110.822 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.64 -45.99 92.0 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.369 0.668 . . . . 73.45 111.045 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.458 HG21 HG22 ' A' ' 78' ' ' VAL . 96.9 mt -62.7 -30.75 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.435 1.094 . . . . 71.21 111.733 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -62.41 -47.17 85.29 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.532 0.733 . . . . 72.31 111.051 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -6.51 58.53 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 112.172 0.434 . . . . 74.33 112.172 177.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.2 mt -74.63 -34.41 62.78 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 108.948 -0.76 . . . . 73.32 108.948 167.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.43 10.49 31.26 Favored Glycine 0 C--N 1.351 1.38 0 CA-C-O 119.61 -0.55 . . . . 73.11 114.313 171.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.402 ' HB2' HG23 ' A' ' 71' ' ' ILE . 24.0 m-85 -83.89 160.37 21.14 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 117.498 0.649 . . . . 72.14 109.793 177.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.438 ' HB2' ' HZ1' ' A' ' 77' ' ' LYS . 4.7 ttmp? -67.32 119.19 11.77 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.212 -1.033 . . . . 74.35 108.212 170.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.458 HG22 HG21 ' A' ' 71' ' ' ILE . 20.3 t -88.33 106.44 16.57 Favored 'Isoleucine or valine' 0 C--O 1.245 0.832 0 N-CA-C 108.234 -1.024 . . . . 74.42 108.234 -175.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -118.55 139.72 51.02 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.155 -1.054 . . . . 75.34 108.155 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.435 HD12 HD13 ' A' ' 64' ' ' LEU . 52.7 tp -135.98 144.77 45.55 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.411 1.085 . . . . 64.2 108.189 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.3 tp -141.93 113.53 7.8 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 106.725 -1.583 . . . . 73.34 106.725 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.423 ' HB2' HD23 ' A' ' 90' ' ' LEU . 1.1 pp -117.67 135.8 53.76 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.542 0.687 . . . . 74.22 111.306 -174.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.45 ' O ' ' HA ' ' A' ' 9' ' ' THR . 42.4 tp60 -137.8 139.83 40.22 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.795 1.638 . . . . 75.44 108.034 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.428 ' N ' HD13 ' A' ' 90' ' ' LEU . 6.8 t70 -164.14 165.35 22.26 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 107.709 -1.219 . . . . 73.03 107.709 178.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -77.18 -25.73 52.17 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.045 0.45 . . . . 75.23 109.794 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -97.42 98.88 10.32 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.413 1.085 . . . . 73.53 109.476 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -77.33 -22.09 52.38 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.084 0.553 . . . . 71.21 111.728 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -61.68 -42.33 98.78 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 110.053 -0.351 . . . . 74.51 110.053 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.98 -30.51 66.78 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.665 -0.698 . . . . 64.42 111.076 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 84' ' ' ASP . 63.5 mt -64.57 -49.38 71.4 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.656 0.382 . . . . 75.23 111.473 177.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -78.49 -31.06 47.58 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.546 0.529 . . . . 75.0 112.074 -170.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.5 -36.22 73.67 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 109.712 -0.477 . . . . 70.31 109.712 178.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.495 ' O ' HG12 ' A' ' 97' ' ' ILE . 45.2 t80 -69.97 -46.77 64.52 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.57 0.748 . . . . 74.54 109.733 173.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -55.5 -49.29 72.97 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.764 1.226 . . . . 74.3 111.743 -176.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -60.42 -33.89 73.16 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.717 0.807 . . . . 73.55 111.742 -176.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -69.51 -42.3 74.9 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.18 0.592 . . . . 72.43 110.107 177.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 93' ' ' PHE . 37.3 mm -66.1 -37.4 79.7 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.371 0 CA-C-N 115.156 -0.929 . . . . 75.42 110.369 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -65.64 -38.32 89.05 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.803 0.841 . . . . 73.41 111.192 172.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.0 t -69.28 -18.05 63.81 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.889 0.876 . . . . 51.32 111.434 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.448 ' OE1' ' HE3' ' A' ' 65' ' ' LYS . 65.3 mt-30 -97.25 -2.51 42.56 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.105 0.962 . . . . 75.42 111.417 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.45 8.93 70.17 Favored Glycine 0 C--N 1.346 1.105 0 N-CA-C 114.272 0.469 . . . . 62.23 114.272 174.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.422 ' HB2' HG23 ' A' ' 97' ' ' ILE . 23.8 m-85 -84.55 136.12 33.93 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 117.278 0.539 . . . . 73.22 109.665 176.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -76.6 102.46 6.13 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.289 0.635 . . . . 74.23 109.35 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 p -118.53 137.81 51.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.344 0.658 . . . . 72.33 110.368 177.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -113.95 145.12 41.97 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 107.95 -1.13 . . . . 75.3 107.95 174.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -116.58 135.52 53.73 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.263 -0.643 . . . . 75.41 109.263 175.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.431 HG22 ' HB2' ' A' ' 83' ' ' GLN . 17.3 m -124.32 160.62 28.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 C-N-CA 123.983 0.913 . . . . 74.3 109.022 176.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.5 m -117.13 -4.14 11.47 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.54 0.736 . . . . 74.52 110.49 -176.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -148.8 160.26 43.38 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 121.43 0.633 . . . . 72.14 112.091 -172.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -50.04 -59.04 4.28 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.43 1.892 . . . . 65.24 112.458 175.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.51 -20.56 60.63 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.698 0.399 . . . . 75.04 112.016 -171.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.35 -46.68 79.24 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 110.112 -0.329 . . . . 74.24 110.112 170.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.1 -48.13 81.56 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.322 -0.854 . . . . 72.12 110.663 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.6 -41.01 89.32 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.536 0.734 . . . . 72.34 110.851 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -62.56 -53.15 59.03 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 115.464 -0.789 . . . . 73.32 111.39 -178.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 23.7 mt -66.88 -32.6 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 123.019 0.527 . . . . 71.21 111.517 -175.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 25.4 t -55.62 -48.44 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 123.536 0.734 . . . . 74.32 111.049 172.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 -73.9 -42.58 60.47 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.815 -0.63 . . . . 74.4 110.97 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -56.5 -44.54 80.82 Favored 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 123.726 0.81 . . . . 74.53 111.363 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -45.57 -45.26 13.51 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.678 1.191 . . . . 72.42 111.731 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.673 ' SD ' ' HG3' ' A' ' 25' ' ' GLN . 51.0 mtt -66.14 -26.43 67.43 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.371 -1.286 . . . . 73.34 112.622 -170.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 . . . . . 0 N--CA 1.483 1.181 0 C-N-CA 123.09 0.556 . . . . 74.35 110.658 173.685 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt . . . . . 0 C--O 1.237 0.421 0 CA-C-O 121.502 0.668 . . . . 75.24 109.341 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -128.6 144.47 51.16 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 114.086 -1.415 . . . . 70.41 107.506 177.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.511 ' HB2' HG23 ' A' ' 71' ' ' ILE . 4.2 mm? -125.24 112.14 16.06 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 107.863 -1.162 . . . . 74.42 107.863 175.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 tt -97.75 124.17 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 108.425 -0.954 . . . . 75.33 108.425 175.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mp -103.18 121.75 43.31 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 107.824 -1.176 . . . . 73.34 107.824 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.524 HG21 HD13 ' A' ' 18' ' ' ILE . 2.2 mp -98.86 138.97 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 108.063 -1.088 . . . . 73.34 108.063 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.579 ' HB3' ' HA ' ' A' ' 82' ' ' LEU . 7.7 t-20 -123.33 112.87 18.11 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 108.397 -0.964 . . . . 75.51 108.397 176.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.615 HG21 HG12 ' A' ' 15' ' ' ILE . 1.5 t -144.46 131.51 20.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.892 0.745 . . . . 71.24 109.097 175.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -102.55 13.2 35.13 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.192 -0.913 . . . . 74.35 110.765 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.422 ' O ' HG13 ' A' ' 15' ' ' ILE . 39.8 t30 -109.42 113.73 26.78 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.324 -0.991 . . . . 75.45 108.324 174.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.31 -39.71 80.08 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.633 1.173 . . . . 73.14 111.308 -174.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.16 -36.33 77.26 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.68 -1.146 . . . . 72.4 110.913 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.432 ' O ' HG13 ' A' ' 18' ' ' ILE . 26.1 tp -69.55 -37.61 77.11 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 118.923 -0.56 . . . . 73.35 110.185 177.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.615 HG12 HG21 ' A' ' 9' ' ' THR . 55.2 mt -53.91 -50.39 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 123.092 0.557 . . . . 73.02 110.452 177.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -64.43 -36.05 82.9 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.136 -0.938 . . . . 73.12 111.842 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 55.2 mtpt -65.96 -42.79 89.47 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 123.469 0.481 . . . . 75.23 110.548 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.524 HD13 HG21 ' A' ' 7' ' ' ILE . 87.4 mt -60.33 -43.91 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 124.07 0.856 . . . . 64.52 109.579 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.488 ' HE3' HG21 ' A' ' 15' ' ' ILE . 98.7 mttt -51.89 -42.9 63.06 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 123.827 0.704 . . . . 64.45 111.28 175.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -66.06 -44.26 85.03 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.393 0.677 . . . . 74.55 111.455 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 16.1 mm-40 -59.73 -44.13 93.89 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.554 0.742 . . . . 75.35 110.835 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 18' ' ' ILE . 94.0 t -68.25 -33.88 63.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.869 1.268 . . . . 74.22 111.343 -175.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.23 -26.87 62.19 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.187 0.595 . . . . 72.42 110.782 174.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -79.81 -21.19 44.56 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.382 0.673 . . . . 63.11 110.044 174.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 75.6 mm-40 -87.6 -18.63 29.24 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.387 0.675 . . . . 75.12 109.887 171.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.02 37.7 15.15 Favored Glycine 0 C--N 1.351 1.394 0 C-N-CA 123.515 0.578 . . . . 33.25 113.747 174.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.573 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 5.7 m-85 -107.6 163.0 13.45 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.858 0.863 . . . . 74.23 110.803 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.544 HE21 HG13 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -77.72 110.32 12.47 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 107.536 -1.283 . . . . 74.12 107.536 176.656 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -83.58 117.09 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.124 0.569 . . . . 70.31 109.57 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.8 mmm-85 -122.29 141.44 51.52 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 107.887 -1.153 . . . . 75.34 107.887 172.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -128.78 138.51 52.13 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.381 0.672 . . . . 74.52 109.194 171.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.532 HG12 ' HB3' ' A' ' 38' ' ' LEU . 51.2 t -123.31 124.67 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.175 1.39 . . . . 73.15 108.643 -175.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -123.64 9.75 8.99 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.003 0.521 . . . . 73.15 111.274 -178.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -158.91 154.89 26.69 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.51 0.724 . . . . 51.32 109.983 -175.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.2 p -68.29 -25.08 64.97 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.033 0.933 . . . . 75.35 113.173 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -84.11 -26.83 28.63 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 110.046 -0.353 . . . . 74.44 110.046 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -65.09 -36.11 83.27 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.408 0.683 . . . . 75.03 111.95 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.532 ' HB3' HG12 ' A' ' 32' ' ' VAL . 4.4 pp -75.92 -45.62 34.26 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.195 0.309 . . . . 74.54 110.945 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 17.4 ptpt -66.74 -33.75 76.32 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 122.698 0.399 . . . . 75.22 111.215 -172.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -69.69 -38.23 76.93 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.376 0.67 . . . . 74.23 111.345 -175.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -88.42 -25.29 22.73 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.299 0.64 . . . . 71.11 111.049 -177.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.46 ' SD ' HD13 ' A' ' 45' ' ' LEU . 14.6 mmt -62.96 -28.27 69.97 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 123.761 0.824 . . . . 72.03 111.592 172.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 28.1 mtpp -58.07 -49.19 77.78 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.64 0.776 . . . . 73.51 109.998 171.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -72.11 -27.9 62.94 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.121 -0.945 . . . . 74.24 111.546 -177.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.46 HD13 ' SD ' ' A' ' 42' ' ' MET . 88.4 mt -69.94 -38.81 76.28 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 122.487 0.315 . . . . 74.32 110.259 174.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.3 -39.78 85.99 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.86 0.864 . . . . 55.4 111.599 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -74.25 -55.63 5.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.637 0.775 . . . . 74.45 111.085 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -86.65 93.47 9.23 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.483 -0.78 . . . . 74.12 111.302 -171.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -105.01 3.21 30.34 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.278 1.031 . . . . 72.3 110.775 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -90.41 -2.59 57.96 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.808 0.843 . . . . 73.14 112.524 -170.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -124.21 171.41 9.87 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 122.818 0.447 . . . . 74.41 109.915 176.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.07 169.37 15.12 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.949 0.9 . . . . 74.32 112.894 -173.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.76 146.0 8.65 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 113.253 -1.794 . . . . 75.24 113.358 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.544 HG13 HE21 ' A' ' 28' ' ' GLN . 3.7 mp -115.52 148.77 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.9 1.28 . . . . 75.34 108.291 -174.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 tt -106.17 121.36 44.02 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.144 0.578 . . . . 73.4 109.641 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.4 mm -103.35 140.27 22.01 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 C-N-CA 124.203 1.001 . . . . 73.32 109.255 176.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.457 HG21 HG23 ' A' ' 15' ' ' ILE . 61.4 mt -117.32 149.24 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 N-CA-C 107.199 -1.408 . . . . 74.54 107.199 169.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.5 t -155.75 124.78 6.13 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 123.788 0.835 . . . . 74.24 109.1 176.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -67.88 -35.98 79.46 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.004 0.921 . . . . 73.3 111.117 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -94.93 142.02 27.96 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.73 0.812 . . . . 72.13 111.327 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -86.08 -27.98 24.36 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.321 1.048 . . . . 75.33 112.505 -173.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -73.8 -29.19 62.03 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.981 -0.377 . . . . 75.54 109.981 177.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.6 mt -66.76 -39.92 88.07 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.052 0.541 . . . . 73.33 109.966 173.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.556 HD11 ' HB2' ' A' ' 8' ' ' ASN . 90.0 mt -55.38 -54.47 43.27 Favored 'General case' 0 C--N 1.362 1.13 0 O-C-N 124.271 0.982 . . . . 73.1 110.408 176.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -56.33 -43.86 79.45 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 124.648 1.218 . . . . 72.54 111.464 -172.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -59.74 -50.93 71.91 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.899 -0.592 . . . . 72.21 111.528 173.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.74 -37.76 88.57 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.521 0.563 . . . . 71.52 112.521 -177.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 65.3 mt -57.15 -36.9 71.3 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.709 0.804 . . . . 75.31 110.636 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -74.37 -41.42 61.04 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.19 -0.914 . . . . 74.42 111.52 177.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.55 -52.12 66.53 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.39 0.676 . . . . 71.23 110.816 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.511 HG23 ' HB2' ' A' ' 4' ' ' LEU . 54.9 mt -64.45 -32.86 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 124.389 1.076 . . . . 63.2 110.904 -177.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.9 t -65.94 -45.99 79.78 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.066 -0.97 . . . . 61.1 111.258 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.42 -22.1 57.66 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 119.804 -0.141 . . . . 75.33 111.053 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.3 mt -71.39 -25.76 62.5 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.991 0.516 . . . . 73.34 110.195 170.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.94 12.34 55.49 Favored Glycine 0 C--N 1.343 0.922 0 CA-C-N 116.052 -0.522 . . . . 50.32 113.262 172.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -85.74 158.94 19.9 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 109.868 -0.419 . . . . 70.43 109.868 175.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -74.27 117.03 15.61 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.899 -0.778 . . . . 74.44 108.899 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.1 t -90.45 124.55 43.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 C-N-CA 123.234 0.614 . . . . 75.33 109.406 -175.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -126.18 144.1 50.89 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 107.885 -1.154 . . . . 72.31 107.885 175.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 64' ' ' LEU . 52.4 tp -136.1 142.71 44.32 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.651 -0.87 . . . . 73.41 108.651 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.9 tp -142.33 114.43 8.21 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 106.147 -1.797 . . . . 74.45 106.147 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.579 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 1.1 pp -127.44 145.03 50.97 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 112.15 0.426 . . . . 74.14 112.15 -169.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.527 ' HB3' HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -141.68 148.96 39.94 Favored 'General case' 0 C--O 1.246 0.892 0 C-N-CA 123.884 0.874 . . . . 75.12 109.238 174.384 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -164.32 160.99 21.54 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 107.878 -1.156 . . . . 61.45 107.878 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -72.43 -31.22 65.3 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.661 0.384 . . . . 74.11 110.673 177.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -94.24 97.45 10.26 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.742 0.817 . . . . 74.23 109.12 170.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.18 -22.5 62.95 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.916 0.886 . . . . 72.41 111.236 -177.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -63.22 -27.49 69.39 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.706 0.802 . . . . 74.4 111.992 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -78.24 -33.25 49.86 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 120.845 0.355 . . . . 74.12 110.09 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.97 -39.55 83.31 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.994 0.918 . . . . 73.52 111.907 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -66.57 -39.1 88.3 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.583 0.353 . . . . 73.23 110.83 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -72.68 -39.65 66.91 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.5 0.72 . . . . 72.34 111.822 -176.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.466 ' O ' HG12 ' A' ' 97' ' ' ILE . 2.3 t80 -67.32 -47.04 71.7 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 109.545 -0.539 . . . . 73.21 109.545 176.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.519 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 27.2 ttpp -58.52 -50.31 74.23 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.911 0.885 . . . . 71.12 112.664 -176.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -62.58 -21.86 65.92 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 112.847 0.684 . . . . 73.14 112.847 -175.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -68.53 -52.06 36.11 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 109.025 -0.731 . . . . 70.14 109.025 170.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.469 HG21 ' HB2' ' A' ' 102' ' ' TYR . 29.3 mm -67.72 -35.77 73.77 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.216 0 CA-C-N 114.37 -1.286 . . . . 71.25 111.513 -170.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -55.43 -51.28 67.42 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 123.724 0.809 . . . . 74.55 111.299 170.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.0 t -64.67 -31.74 73.1 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.626 -1.17 . . . . 73.11 111.043 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -80.41 5.09 15.99 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.694 0.798 . . . . 71.44 111.763 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.53 0.29 82.23 Favored Glycine 0 C--N 1.355 1.634 0 C-N-CA 123.089 0.376 . . . . 74.43 114.016 169.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.469 ' HB2' HG21 ' A' ' 97' ' ' ILE . 6.0 m-85 -90.8 149.23 22.06 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 109.316 -0.624 . . . . 74.1 109.316 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -83.84 126.69 33.2 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.707 -0.849 . . . . 73.32 108.707 174.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.443 HG23 ' HG3' ' A' ' 94' ' ' LYS . 3.8 p -137.78 142.96 34.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 C-N-CA 123.245 0.618 . . . . 75.1 110.148 -176.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.492 ' HA ' ' HE ' ' A' ' 105' ' ' ARG . 1.6 mmp_? -130.66 126.99 38.0 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 124.07 0.948 . . . . 75.04 109.654 -174.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.519 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 25.6 ttmt -92.92 136.04 33.61 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.054 0.541 . . . . 74.53 110.147 174.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.527 HG21 ' HB3' ' A' ' 83' ' ' GLN . 34.1 m -140.22 171.86 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.303 1.041 . . . . 73.32 108.286 167.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.4 m -137.91 -38.48 0.57 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.371 0.669 . . . . 71.4 109.445 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.444 ' HB2' ' HG2' ' A' ' 112' ' ' GLU . 15.4 m-20 -83.09 156.63 23.21 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 115.631 -0.713 . . . . 52.35 111.499 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -54.45 -55.1 32.28 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 113.752 -1.567 . . . . 73.45 110.47 170.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -58.26 -40.83 82.85 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.679 -1.146 . . . . 72.13 111.862 -175.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.636 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 33.4 mm-40 -66.21 -35.78 81.33 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.758 0.823 . . . . 74.43 111.226 -177.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -65.35 -46.43 80.25 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.661 -0.7 . . . . 63.42 110.982 177.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.456 HD21 ' HG3' ' A' ' 21' ' ' GLU . 35.1 mt -67.68 -27.63 67.0 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.317 0.647 . . . . 70.03 111.334 -177.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.636 ' HD3' ' HA ' ' A' ' 112' ' ' GLU . 25.1 mtpp -65.22 -58.67 5.38 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.753 0.821 . . . . 74.21 111.002 176.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 14.8 mt -67.53 -23.34 29.72 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.223 0 N-CA-C 112.578 0.584 . . . . 75.41 112.578 -170.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 113' ' ' ALA . 70.0 t -48.46 -44.35 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 C-N-CA 123.215 0.606 . . . . 74.14 110.515 167.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -69.61 -46.33 66.52 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.409 0.684 . . . . 74.52 110.762 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.25 -35.02 71.12 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.086 0.555 . . . . 73.05 112.035 -177.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.643 ' HD2' ' SD ' ' A' ' 121' ' ' MET . 59.7 t80 -54.66 -47.03 74.07 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.223 0.609 . . . . 74.21 111.308 171.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.643 ' SD ' ' HD2' ' A' ' 120' ' ' PHE . 8.8 mmt -58.22 -29.79 65.98 Favored 'General case' 0 N--CA 1.483 1.175 0 O-C-N 124.369 1.043 . . . . 74.43 112.401 -171.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 . . . . . 0 CA--C 1.558 1.28 0 C-N-CA 123.356 0.662 . . . . 73.41 112.17 177.652 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.553 ' HZ1' ' HE1' ' A' ' 51' ' ' PHE . 34.9 ttpt . . . . . 0 N--CA 1.463 0.177 0 N-CA-C 106.417 -1.697 . . . . 75.32 106.417 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.592 ' HA ' ' HB3' ' A' ' 77' ' ' LYS . 3.9 mm-40 -82.04 141.51 33.13 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.137 0.575 . . . . 73.33 111.252 -163.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -126.91 114.49 17.94 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.077 0.551 . . . . 73.44 110.025 -176.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.8 tt -108.43 125.05 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.733 0.813 . . . . 74.15 109.213 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -110.09 118.63 36.9 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 108.287 -1.005 . . . . 74.11 108.287 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.447 HG21 HD12 ' A' ' 18' ' ' ILE . 2.6 mp -98.72 127.24 51.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 108.746 -0.835 . . . . 72.43 108.746 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.491 ' HB3' ' HA ' ' A' ' 82' ' ' LEU . 4.8 t-20 -101.83 112.59 25.25 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 106.964 -1.495 . . . . 74.22 106.964 173.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.483 HG21 HG12 ' A' ' 15' ' ' ILE . 1.7 t -144.15 119.43 10.2 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.401 0.619 . . . . 72.41 109.967 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -92.89 7.35 44.27 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 114.891 -1.049 . . . . 71.51 110.421 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.492 ' ND2' ' HB2' ' A' ' 14' ' ' LEU . 42.1 t30 -104.65 107.23 18.07 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.797 0.839 . . . . 65.5 109.302 178.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -60.86 -44.45 96.99 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.09 0.956 . . . . 74.23 112.682 -171.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -32.46 74.14 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 123.446 0.466 . . . . 75.14 110.553 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.492 ' HB2' ' ND2' ' A' ' 11' ' ' ASN . 32.9 tp -68.18 -42.88 79.29 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 123.442 0.464 . . . . 65.43 110.249 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.526 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 54.0 mt -52.75 -46.53 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 124.289 0.993 . . . . 75.34 110.274 178.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -59.49 -46.72 87.99 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 124.356 1.035 . . . . 75.32 110.51 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.418 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 43.8 mtpt -64.19 -40.08 95.35 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 114.811 -1.086 . . . . 75.11 111.594 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.465 ' O ' HG21 ' A' ' 22' ' ' VAL . 96.1 mt -60.41 -48.38 88.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 O-C-N 123.833 0.708 . . . . 74.43 109.28 178.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.598 ' HG2' HG11 ' A' ' 29' ' ' VAL . 86.3 mttt -52.52 -46.87 66.88 Favored 'General case' 0 C--N 1.359 0.994 0 O-C-N 124.144 0.902 . . . . 74.4 111.071 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -64.4 -41.45 96.65 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 124.257 0.973 . . . . 73.04 111.5 -177.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 31.2 mm-40 -63.72 -45.54 89.48 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.13 0.491 . . . . 75.24 111.459 177.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 18' ' ' ILE . 98.1 t -71.18 -36.08 60.96 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 124.193 0.997 . . . . 74.13 111.365 -173.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.88 -27.64 63.97 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.352 0.661 . . . . 73.34 110.986 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -69.84 -34.87 74.21 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.903 0.481 . . . . 74.14 110.056 172.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 12.0 mm-40 -79.75 -22.2 43.54 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.183 0.593 . . . . 74.3 110.711 178.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.8 36.85 7.1 Favored Glycine 0 C--N 1.348 1.247 0 CA-C-N 116.366 -0.379 . . . . 75.21 113.797 174.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.434 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 0.7 OUTLIER -107.2 154.98 20.41 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 108.543 -0.91 . . . . 75.42 108.543 174.59 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.45 ' HB2' HG23 ' A' ' 54' ' ' ILE . 1.8 mp0 -79.61 113.87 18.1 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.982 -0.747 . . . . 75.14 108.982 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.598 HG11 ' HG2' ' A' ' 19' ' ' LYS . 21.6 t -88.75 104.5 14.87 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 N-CA-C 109.788 -0.449 . . . . 74.53 109.788 177.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.75 104.84 12.36 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 107.803 -1.184 . . . . 75.32 107.803 176.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -100.1 144.44 29.13 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 109.511 -0.552 . . . . 54.15 109.511 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.469 HG11 ' HB3' ' A' ' 38' ' ' LEU . 98.5 t -115.63 120.9 66.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 124.124 0.97 . . . . 74.24 109.766 -173.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -114.6 -8.56 12.71 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.727 0.811 . . . . 75.31 109.958 174.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -138.3 151.01 47.19 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.632 0.773 . . . . 73.32 111.176 -169.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.0 p -65.94 -35.27 80.15 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.759 1.224 . . . . 74.12 113.047 -177.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.491 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 19.1 m-20 -87.89 -20.14 26.4 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.171 0.588 . . . . 72.21 109.812 -175.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.502 ' HA ' ' HE3' ' A' ' 40' ' ' LYS . 4.7 tp10 -68.12 -42.66 79.88 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.526 1.13 . . . . 73.54 110.753 172.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.469 ' HB3' HG11 ' A' ' 32' ' ' VAL . 2.4 pp -64.13 -43.26 95.8 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-N 117.832 0.287 . . . . 73.42 110.494 -175.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 18.6 ptpt -68.61 -34.31 75.54 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.135 0.574 . . . . 73.25 111.562 -171.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.502 ' HE3' ' HA ' ' A' ' 37' ' ' GLU . 20.6 pttp -77.74 -30.04 51.39 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.307 -0.406 . . . . 74.34 110.554 -176.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -82.4 -25.48 33.69 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.829 0.452 . . . . 73.2 111.579 176.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.476 ' HA ' ' HE2' ' A' ' 42' ' ' MET . 31.4 mmt -65.77 -33.13 75.17 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.572 0.349 . . . . 71.43 110.322 170.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 27.2 mtpp -68.13 -42.04 80.77 Favored 'General case' 0 C--O 1.207 -1.134 0 CA-C-N 116.028 -0.533 . . . . 73.15 109.981 173.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -52.7 -34.19 51.12 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 123.532 0.733 . . . . 72.43 112.521 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.6 mt -67.26 -37.1 82.92 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.155 0.582 . . . . 74.21 111.415 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.94 -54.27 5.46 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.05 0.94 . . . . 71.13 111.495 -176.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 12.0 mm-40 -60.81 -44.98 96.15 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.11 0.964 . . . . 74.42 110.329 -175.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -95.49 114.5 26.27 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 107.671 -1.233 . . . . 74.15 107.671 175.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HA ' ' HZ3' ' A' ' 2' ' ' LYS . 38.4 ttpt -104.45 -49.35 3.58 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.555 0.342 . . . . 75.34 111.812 -174.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -74.22 -14.22 60.9 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 113.434 0.901 . . . . 75.13 113.434 -165.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.553 ' HE1' ' HZ1' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -73.25 153.67 40.52 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 117.987 0.358 . . . . 74.33 110.051 178.17 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.52 171.16 2.7 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.933 0.893 . . . . 73.14 111.942 -177.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -63.5 147.74 50.55 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.305 -0.861 . . . . 73.03 112.364 -173.569 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.45 HG23 ' HB2' ' A' ' 28' ' ' GLN . 3.8 mp -111.17 145.07 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 114.82 -1.082 . . . . 75.31 109.638 -166.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 tt -107.72 113.73 27.19 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.519 0.727 . . . . 74.02 109.093 173.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.6 mm -96.56 139.18 19.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 108.422 -0.955 . . . . 71.32 108.422 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.6 mt -119.31 152.85 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 107.508 -1.293 . . . . 74.53 107.508 167.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.2 t -150.93 151.27 31.92 Favored 'General case' 0 C--O 1.244 0.777 0 C-N-CA 123.135 0.574 . . . . 75.25 109.919 172.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -72.68 -62.15 1.55 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 114.849 -1.068 . . . . 72.02 110.089 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -102.45 152.25 21.35 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.195 -0.911 . . . . 71.11 110.344 -169.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.549 ' HA ' HD13 ' A' ' 64' ' ' LEU . 64.2 mttp -74.81 -16.75 60.69 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.949 0.9 . . . . 73.23 113.18 -175.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -71.01 -37.68 72.65 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.91 0.386 . . . . 74.51 110.421 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.433 HD11 HG13 ' A' ' 32' ' ' VAL . 44.5 mt -67.73 -41.15 83.91 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 115.234 -0.894 . . . . 75.4 108.718 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.594 HD12 HD11 ' A' ' 80' ' ' LEU . 94.8 mt -56.66 -53.21 60.31 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 114.365 -1.289 . . . . 72.42 111.174 175.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -50.47 -48.17 56.72 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 124.447 1.092 . . . . 74.33 111.628 -173.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -61.45 -51.69 67.66 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 123.999 0.812 . . . . 74.43 111.354 175.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 79.0 mtm -61.87 -39.64 92.6 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 123.559 0.537 . . . . 75.23 112.445 -174.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 64.5 mt -56.75 -40.1 75.18 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.148 0.979 . . . . 75.13 111.574 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.584 ' HG2' ' HH ' ' A' ' 102' ' ' TYR . 44.1 mt-10 -79.74 -32.13 41.07 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 114.992 -1.004 . . . . 65.11 111.006 -176.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 97.2 mt -69.53 -42.65 74.37 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.919 -0.582 . . . . 71.13 110.512 176.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.461 HG22 ' HB2' ' A' ' 76' ' ' TYR . 96.7 mt -65.47 -33.3 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.928 0.891 . . . . 73.35 110.465 175.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.3 t -66.0 -43.69 86.99 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.317 -0.856 . . . . 71.31 111.107 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -20.05 59.1 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 111.361 0.134 . . . . 73.23 111.361 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 95.6 mt -74.07 -30.03 62.18 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 109.446 -0.575 . . . . 71.51 109.446 171.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.94 17.31 30.5 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.331 -0.849 . . . . 54.12 112.57 174.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.461 ' HB2' HG22 ' A' ' 71' ' ' ILE . 20.3 m-85 -88.07 166.88 14.12 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.458 0.703 . . . . 75.54 110.748 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.592 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -67.05 114.44 5.83 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.09 -0.959 . . . . 74.32 109.398 174.628 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.7 t -90.55 106.5 17.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 108.38 -0.97 . . . . 74.31 108.38 174.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -119.48 134.78 55.06 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 106.492 -1.67 . . . . 74.15 106.492 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.594 HD11 HD12 ' A' ' 64' ' ' LEU . 58.9 tp -133.95 102.45 5.43 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 109.434 -0.58 . . . . 72.03 109.434 -176.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 52.2 tp -94.08 112.27 24.08 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 107.753 -1.203 . . . . 74.55 107.753 172.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.491 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 0.8 OUTLIER -113.03 137.33 51.58 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.19 0.45 . . . . 75.3 110.853 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.59 133.69 29.44 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 123.794 0.838 . . . . 73.42 109.441 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -154.8 164.41 38.85 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 124.986 1.314 . . . . 53.55 108.246 174.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -81.31 -13.33 58.52 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.539 -0.755 . . . . 70.42 110.143 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -108.17 116.39 31.87 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.768 0.827 . . . . 71.41 108.85 170.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.46 ' HG3' ' HD3' ' A' ' 106' ' ' LYS . 43.1 tt0 -77.27 -23.65 51.16 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.958 0.903 . . . . 75.23 111.663 -177.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -64.2 -40.11 95.4 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 122.699 0.4 . . . . 71.23 110.193 -176.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.63 -37.03 79.41 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.089 0.956 . . . . 73.43 110.949 176.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.59 -47.13 85.16 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.883 -0.598 . . . . 63.01 111.111 177.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 106' ' ' LYS . 12.8 pt-20 -82.17 -28.62 31.98 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 118.701 -0.666 . . . . 75.53 112.466 -170.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.67 -42.02 74.74 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 118.314 0.506 . . . . 74.44 110.163 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.457 ' O ' HG12 ' A' ' 97' ' ' ILE . 41.8 t80 -73.25 -43.25 61.47 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 115.898 -0.592 . . . . 70.32 109.788 177.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 56.3 tttp -56.6 -47.11 80.31 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 118.98 -0.533 . . . . 73.14 111.612 178.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -68.02 -26.13 65.73 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 123.276 0.36 . . . . 74.31 111.866 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -66.38 -48.28 70.65 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.354 -0.61 . . . . 73.11 109.354 170.005 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 93' ' ' PHE . 47.7 mm -67.88 -28.64 42.14 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.163 0 C-N-CA 124.07 0.948 . . . . 74.01 111.808 -177.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 63.4 mm-40 -58.38 -47.87 82.47 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.817 0.847 . . . . 70.14 110.18 167.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.1 t -70.05 -30.87 68.25 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.096 -0.956 . . . . 75.33 110.995 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 87.7 mm-40 -75.91 -20.82 57.7 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.651 0.78 . . . . 74.22 110.317 176.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.79 39.82 10.12 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 123.498 0.499 . . . . 72.01 113.6 173.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.584 ' HH ' ' HG2' ' A' ' 69' ' ' GLU . 27.7 m-85 -114.34 149.8 35.5 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.272 -0.64 . . . . 72.15 109.272 174.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -67.77 116.15 8.13 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.547 0.739 . . . . 73.51 109.419 175.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.2 p -137.18 126.21 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 123.333 0.653 . . . . 75.21 110.935 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -110.97 144.03 40.71 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.206 1.003 . . . . 72.35 109.238 177.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.46 ' HD3' ' HG3' ' A' ' 87' ' ' GLU . 32.1 ttmt -111.8 141.44 45.43 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.222 0.609 . . . . 74.45 110.492 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.1 m -144.71 125.59 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.117 0.967 . . . . 73.31 108.897 168.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.5 m -77.75 -29.77 51.23 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 121.532 0.682 . . . . 72.41 109.658 172.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -83.5 135.89 34.49 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 114.993 -1.003 . . . . 61.51 110.224 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.13 -35.31 74.0 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.025 0.93 . . . . 70.12 111.317 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.7 -34.67 74.23 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.333 0.653 . . . . 73.22 111.126 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -74.56 -23.85 58.84 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.213 0.605 . . . . 74.34 111.093 177.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.99 97.89 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.533 0.521 . . . . 74.42 110.319 171.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.462 ' O ' ' HD3' ' A' ' 118' ' ' ARG . 96.1 mt -61.76 -42.19 98.66 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 115.897 -0.592 . . . . 74.33 109.99 175.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -58.46 -48.58 80.28 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.293 0.637 . . . . 73.14 111.361 -176.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.403 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 37.2 mt -71.89 -25.51 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 O-C-N 123.643 0.589 . . . . 61.33 111.608 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 38.0 t -59.19 -48.84 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 122.601 0.36 . . . . 74.22 110.077 170.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.462 ' HD3' ' O ' ' A' ' 114' ' ' LEU . 1.1 mpt_? -69.04 -37.18 78.45 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 116.544 -0.298 . . . . 75.44 110.78 177.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 44.2 mt-10 -60.63 -38.02 83.39 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 119.071 -0.49 . . . . 62.35 111.571 175.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -57.27 -31.43 65.59 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.504 0.322 . . . . 75.23 111.021 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.434 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 14.7 mmt -62.45 -26.96 68.79 Favored 'General case' 0 CA--C 1.559 1.327 0 C-N-CA 122.899 0.48 . . . . 74.44 111.805 -178.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 . . . . . 0 N--CA 1.492 1.668 0 C-N-CA 123.255 0.622 . . . . 64.11 111.959 173.192 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.386 -0.598 . . . . 74.35 109.386 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.613 ' HG3' ' HB3' ' A' ' 77' ' ' LYS . 14.5 mp0 -124.03 149.38 46.14 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.921 0.889 . . . . 75.23 109.16 174.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.467 ' HB2' HG23 ' A' ' 71' ' ' ILE . 4.2 mm? -128.62 112.55 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.512 -0.921 . . . . 74.34 108.512 175.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.4 tt -97.89 122.06 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 108.632 -0.877 . . . . 64.31 108.632 174.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.465 ' HB3' HD22 ' A' ' 64' ' ' LEU . 6.1 mp -105.63 121.36 43.83 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.314 -0.995 . . . . 75.3 108.314 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.664 HG21 HD12 ' A' ' 18' ' ' ILE . 2.2 mp -98.78 138.41 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 108.859 -0.793 . . . . 73.44 108.859 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.517 ' HB2' HD13 ' A' ' 64' ' ' LEU . 3.9 t-20 -125.62 129.46 49.68 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 107.176 -1.416 . . . . 75.43 107.176 171.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -146.64 145.0 29.9 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 122.714 0.405 . . . . 74.52 111.045 -176.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -82.38 -27.12 32.3 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.198 0.999 . . . . 74.13 110.816 176.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -100.97 119.12 38.26 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.644 0.778 . . . . 74.15 110.974 -170.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -68.65 -33.66 74.38 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.908 0.883 . . . . 53.14 111.465 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -63.34 -35.71 81.27 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.569 0.748 . . . . 72.34 109.91 176.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 110' ' ' ASP . 45.2 tp -70.37 -41.33 73.25 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.527 -0.749 . . . . 62.4 110.236 177.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.528 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 61.0 mt -50.83 -44.91 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 124.007 0.817 . . . . 75.21 110.428 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -61.07 -48.02 83.67 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 124.242 0.964 . . . . 75.23 110.844 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.602 ' HE2' HD12 ' A' ' 114' ' ' LEU . 51.7 mtpt -62.52 -37.19 85.1 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.059 0.944 . . . . 75.42 111.717 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.664 HD12 HG21 ' A' ' 7' ' ' ILE . 95.1 mt -63.08 -48.51 87.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 123.809 0.844 . . . . 73.5 109.054 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 94.5 mttt -50.86 -43.28 59.31 Favored 'General case' 0 C--N 1.361 1.106 0 O-C-N 124.507 1.13 . . . . 72.23 110.736 178.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -71.77 -31.7 66.9 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.058 -0.974 . . . . 74.11 111.814 -177.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.518 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 24.8 mm-40 -66.09 -37.52 85.98 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.645 0.378 . . . . 75.02 110.243 172.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.626 HG22 HD22 ' A' ' 55' ' ' LEU . 20.9 t -70.93 -29.4 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.659 0.784 . . . . 73.43 110.201 178.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 18.2 mm-40 -67.05 -36.43 82.04 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.284 0.633 . . . . 75.24 109.994 173.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -65.58 -29.02 69.57 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.196 0.599 . . . . 74.2 110.409 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 51.2 mm-40 -94.08 -19.92 20.4 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.33 0.652 . . . . 75.52 111.31 -177.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.44 30.09 50.68 Favored Glycine 0 CA--C 1.532 1.144 0 N-CA-C 114.044 0.378 . . . . 71.24 114.044 178.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.407 ' OH ' ' HE2' ' A' ' 53' ' ' LYS . 2.2 m-30 -99.59 168.41 9.97 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.34 0.656 . . . . 72.45 109.888 178.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -83.5 114.67 21.65 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.255 0.622 . . . . 73.01 109.936 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.411 HG11 ' HG2' ' A' ' 19' ' ' LYS . 45.2 t -79.22 109.99 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 109.566 -0.531 . . . . 75.34 109.566 172.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -120.34 106.71 12.13 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 108.703 -0.851 . . . . 74.25 108.703 172.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -102.86 140.32 37.29 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.419 0.688 . . . . 75.21 109.403 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.553 HG13 ' HB3' ' A' ' 38' ' ' LEU . 75.8 t -134.6 122.39 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.352 1.061 . . . . 71.1 109.093 -173.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -121.77 9.71 10.15 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.08 0.952 . . . . 74.24 109.923 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -145.33 144.35 30.67 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.437 0.695 . . . . 73.14 110.387 -170.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.0 m -67.46 -30.19 69.84 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.093 0.957 . . . . 62.11 112.849 -174.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 28.8 t70 -78.27 -32.33 49.49 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.115 0.566 . . . . 73.23 110.458 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 32.6 mm-40 -66.79 -38.12 85.9 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 112.232 0.456 . . . . 74.41 112.232 -178.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.553 ' HB3' HG13 ' A' ' 32' ' ' VAL . 3.7 pp -65.47 -39.72 92.29 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 111.756 0.28 . . . . 74.12 111.756 -175.276 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 17.7 ptpt -70.24 -26.92 64.06 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 123.349 0.406 . . . . 75.4 110.045 -176.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.468 ' HD3' ' HA ' ' A' ' 37' ' ' GLU . 53.5 mtpt -70.81 -39.97 72.76 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.252 1.021 . . . . 74.41 110.897 173.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 6.2 mm-40 -68.0 -41.31 82.45 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.947 0.499 . . . . 75.31 110.707 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.7 mmt -58.82 -38.51 78.82 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 123.731 0.644 . . . . 73.42 110.75 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 98.6 mttt -60.58 -45.41 94.03 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 123.977 0.798 . . . . 74.14 110.267 177.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -69.31 -22.71 63.77 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.011 0.745 . . . . 71.54 113.011 -176.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.2 mt -70.21 -34.71 73.25 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 122.903 0.481 . . . . 74.23 111.299 175.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.67 -43.14 14.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.201 0.601 . . . . 52.43 110.695 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -59.35 -48.34 82.02 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.164 0.986 . . . . 75.25 110.379 176.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -108.22 99.98 9.34 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.98 0.912 . . . . 74.23 108.779 177.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -105.41 -31.27 9.1 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.619 0.768 . . . . 74.42 111.513 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -85.59 71.72 10.7 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.732 0.813 . . . . 63.04 111.487 -165.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -175.45 -178.02 1.08 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.743 1.217 . . . . 74.31 109.732 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.29 -175.32 0.34 Allowed 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.624 0.726 . . . . 73.11 111.778 175.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.457 ' H ' ' HD3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -93.37 154.2 18.1 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.561 -0.745 . . . . 70.11 111.649 -168.535 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.435 ' N ' HD13 ' A' ' 54' ' ' ILE . 3.7 mp -107.84 141.69 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 114.44 -1.255 . . . . 61.33 109.348 -168.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.626 HD22 HG22 ' A' ' 22' ' ' VAL . 6.5 tt -103.11 117.45 34.59 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.336 0.654 . . . . 64.44 109.311 177.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.1 mm -98.68 139.63 20.17 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 124.108 0.963 . . . . 75.25 109.319 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.1 mt -120.18 141.68 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 N-CA-C 107.48 -1.304 . . . . 74.32 107.48 168.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.7 t -156.89 137.96 13.59 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.666 0.786 . . . . 71.35 109.849 172.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -96.16 13.67 26.55 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.607 0.763 . . . . 61.0 112.33 -171.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.403 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 30.1 t70 -139.48 134.17 31.91 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.855 0.462 . . . . 73.21 110.188 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.684 ' HZ3' ' HB3' ' A' ' 89' ' ' GLU . 70.9 mttt -72.14 -26.75 62.23 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.197 0.999 . . . . 75.1 112.426 -172.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -76.7 -31.85 57.48 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 110.142 -0.318 . . . . 74.22 110.142 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.403 ' HG ' ' HB3' ' A' ' 60' ' ' ASP . 37.3 mt -68.24 -46.04 71.58 Favored 'General case' 0 C--N 1.356 0.869 0 N-CA-C 108.965 -0.754 . . . . 72.43 108.965 174.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 61' ' ' LYS . 91.9 mt -53.5 -52.36 59.84 Favored 'General case' 0 C--N 1.363 1.168 0 CA-C-N 114.562 -1.199 . . . . 74.22 110.062 174.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 14.6 tppt? -57.83 -48.62 79.22 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.351 1.06 . . . . 74.04 111.301 -174.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -55.22 -48.07 74.42 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 123.872 0.732 . . . . 73.53 110.811 177.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 78.9 mtm -63.84 -44.67 92.5 Favored 'General case' 0 CA--C 1.55 0.949 0 O-C-N 123.835 0.71 . . . . 74.04 111.731 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 83.6 mt -54.3 -39.92 67.44 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 124.371 1.068 . . . . 74.22 111.437 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 13.9 mm-40 -73.14 -42.94 62.3 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.862 0.726 . . . . 73.4 110.812 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 98.8 mt -64.22 -42.69 96.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.006 0.522 . . . . 65.02 111.662 -178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.467 HG23 ' HB2' ' A' ' 4' ' ' LEU . 49.5 mt -66.97 -32.62 58.83 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 124.194 0.998 . . . . 74.21 110.472 177.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.4 t -65.05 -42.99 93.77 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.98 0.912 . . . . 73.24 110.774 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -16.22 43.19 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.743 0.417 . . . . 73.21 111.435 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.5 mt -71.92 -27.24 62.68 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 109.482 -0.562 . . . . 75.0 109.482 168.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.68 12.42 55.71 Favored Glycine 0 C--N 1.346 1.107 0 CA-C-N 115.714 -0.676 . . . . 71.14 112.698 174.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -83.4 156.36 23.0 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 123.273 0.629 . . . . 73.13 109.698 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.613 ' HB3' ' HG3' ' A' ' 3' ' ' GLU . 7.4 ttpm? -83.48 118.33 23.68 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.656 -0.868 . . . . 73.54 108.656 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.5 t -92.62 137.78 21.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 115.405 -0.816 . . . . 71.15 110.745 -169.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -132.36 141.54 48.96 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 107.151 -1.426 . . . . 72.15 107.151 174.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.8 tp -131.22 142.08 50.12 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 107.861 -1.163 . . . . 75.41 107.861 174.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.6 tp -142.29 113.78 7.83 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 106.848 -1.538 . . . . 75.52 106.848 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.41 HD12 ' HD2' ' A' ' 93' ' ' PHE . 2.0 pt? -126.64 143.73 51.13 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.009 0.433 . . . . 75.33 111.183 -176.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.9 149.62 33.6 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.731 1.212 . . . . 70.45 108.388 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.436 ' HB2' HD23 ' A' ' 90' ' ' LEU . 8.5 t70 -163.96 170.81 16.15 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 107.405 -1.331 . . . . 72.42 107.405 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -76.93 -17.54 58.84 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.72 0.408 . . . . 73.3 110.618 174.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -113.6 123.98 51.25 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.303 0.641 . . . . 54.44 109.673 175.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.44 ' HA ' HD11 ' A' ' 90' ' ' LEU . 42.4 tt0 -79.2 -24.88 42.86 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.642 0.777 . . . . 74.35 111.772 -175.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.46 ' HA ' ' HG2' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -67.04 -39.63 87.0 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 118.115 0.416 . . . . 63.43 110.765 -179.027 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.684 ' HB3' ' HZ3' ' A' ' 61' ' ' LYS . 35.3 mm-40 -58.07 -33.7 69.34 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.801 0.84 . . . . 72.43 112.106 174.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.44 HD11 ' HA ' ' A' ' 87' ' ' GLU . 76.5 mt -81.83 -51.03 8.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.844 -1.071 . . . . 63.14 111.634 -175.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.46 ' HG2' ' HA ' ' A' ' 88' ' ' ASN . 13.0 pt-20 -65.89 -30.41 71.01 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.978 0.799 . . . . 74.1 111.172 -171.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.48 -38.89 65.24 Favored 'General case' 0 C--N 1.358 0.937 0 O-C-N 123.624 0.577 . . . . 74.13 110.999 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.519 ' O ' HG12 ' A' ' 97' ' ' ILE . 11.7 t80 -71.62 -48.5 47.58 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 108.877 -0.786 . . . . 71.54 108.877 175.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -54.79 -49.68 70.37 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.687 1.195 . . . . 72.22 112.145 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -25.99 68.26 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 123.758 0.661 . . . . 75.01 111.709 -175.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -72.4 -47.72 47.08 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.869 0.467 . . . . 74.23 110.002 172.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 93' ' ' PHE . 50.8 mm -65.04 -38.07 81.85 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 C-N-CA 123.972 0.909 . . . . 73.05 111.348 -173.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -30.52 65.99 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.657 0.383 . . . . 74.44 111.364 174.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.5 m -70.22 -25.26 63.31 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.54 0.336 . . . . 64.04 110.966 173.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -93.75 9.53 36.72 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.958 0.903 . . . . 73.42 112.035 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.35 23.01 66.4 Favored Glycine 0 C--N 1.352 1.428 0 N-CA-C 114.235 0.454 . . . . 61.2 114.235 170.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.427 ' HB2' HG22 ' A' ' 97' ' ' ILE . 64.7 m-85 -101.6 150.58 22.94 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.002 0.521 . . . . 70.23 109.75 174.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -77.54 121.64 24.16 Favored 'General case' 0 C--N 1.347 0.478 0 N-CA-C 108.142 -1.058 . . . . 74.2 108.142 169.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.0 138.88 43.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 123.342 0.657 . . . . 74.5 110.24 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -129.07 122.97 31.08 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.898 0.879 . . . . 73.32 109.122 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.96 126.78 51.34 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.084 0.953 . . . . 74.41 108.967 177.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.4 m -130.02 179.03 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 123.984 0.914 . . . . 75.1 108.604 172.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.5 m -137.22 -38.6 0.61 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.888 -0.782 . . . . 75.12 108.888 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' A' ' 111' ' ' GLU . 11.4 m-20 -72.3 137.19 46.53 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.532 -0.758 . . . . 74.51 109.74 176.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.527 ' HB3' HD11 ' A' ' 14' ' ' LEU . 6.4 m-20 -59.97 -36.63 77.55 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.496 1.119 . . . . 61.02 111.044 175.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.459 ' HG2' ' HB3' ' A' ' 109' ' ' ASP . 13.6 pt-20 -65.29 -45.02 86.09 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.852 0.861 . . . . 74.22 110.815 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -70.19 -23.91 63.04 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.666 0.386 . . . . 72.34 111.107 -178.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -68.18 -47.04 69.04 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.826 0.45 . . . . 72.51 110.523 173.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.602 HD12 ' HE2' ' A' ' 17' ' ' LYS . 83.2 mt -67.18 -29.96 69.78 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.35 0.66 . . . . 74.52 111.224 177.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -71.1 -38.21 72.36 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.237 1.015 . . . . 72.43 111.01 -176.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 20.5 mt -78.84 -22.62 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 C-N-CA 123.519 0.728 . . . . 74.23 111.504 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.457 ' O ' ' HG2' ' A' ' 121' ' ' MET . 88.3 t -50.62 -40.69 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 109.899 -0.408 . . . . 64.32 109.899 166.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -70.87 -42.49 69.98 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.224 0.609 . . . . 74.13 111.191 176.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -54.68 -40.92 69.59 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.0 0.92 . . . . 73.04 111.374 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -58.0 -45.42 86.88 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.058 0.543 . . . . 73.0 111.323 173.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.513 ' HE2' ' HG3' ' A' ' 25' ' ' GLN . 18.4 mmt -61.56 -21.68 64.51 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 112.974 0.731 . . . . 60.54 112.974 -172.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 . . . . . 0 N--CA 1.485 1.285 0 C-N-CA 122.468 0.307 . . . . 73.14 110.984 171.864 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.412 ' O ' ' HB3' ' A' ' 76' ' ' TYR . 21.0 pttm . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 107.313 -1.366 . . . . 74.32 107.313 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.584 ' HG2' ' HB3' ' A' ' 77' ' ' LYS . 22.5 mt-10 -71.01 154.66 41.62 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 118.796 0.725 . . . . 74.15 110.936 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.518 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.6 OUTLIER -136.46 110.82 8.47 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 108.452 -0.944 . . . . 73.41 108.452 -177.528 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.5 tt -104.43 135.99 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.457 0.703 . . . . 73.22 109.838 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mp -116.37 128.35 55.44 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.845 -1.169 . . . . 74.42 107.845 174.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 2.4 mp -105.51 142.88 17.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 108.006 -1.109 . . . . 74.32 108.006 175.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.594 ' HB2' HD11 ' A' ' 64' ' ' LEU . 4.7 t-20 -128.13 129.83 47.16 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 107.47 -1.307 . . . . 65.24 107.47 168.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.511 HG21 HG12 ' A' ' 15' ' ' ILE . 1.3 t -145.75 127.65 15.44 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.983 -0.747 . . . . 65.11 108.983 174.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -73.12 -28.52 62.31 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 114.893 -1.049 . . . . 74.05 109.696 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -75.95 111.02 10.89 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.76 1.224 . . . . 73.44 110.592 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.425 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 4.9 m-20 -59.7 -40.81 89.15 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 124.118 0.967 . . . . 74.23 111.509 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.82 -44.83 86.68 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 124.481 1.113 . . . . 74.35 110.206 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 110' ' ' ASP . 35.9 tp -64.92 -38.65 91.68 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.626 -0.702 . . . . 72.14 110.997 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.511 HG12 HG21 ' A' ' 9' ' ' THR . 50.6 mt -53.39 -51.45 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 109.626 -0.509 . . . . 75.12 109.626 176.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 13.9 mmmm -56.42 -46.88 80.01 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 124.274 0.983 . . . . 71.31 111.05 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -64.08 -46.77 82.81 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 114.793 -1.094 . . . . 74.04 111.388 -175.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 14' ' ' LEU . 64.9 mt -60.31 -49.05 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 124.074 0.859 . . . . 74.41 109.71 178.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 51.4 mtmt -54.22 -49.24 69.89 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 123.755 0.659 . . . . 74.24 111.343 -177.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -67.67 -35.17 78.36 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 123.563 0.54 . . . . 70.04 111.709 -177.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -58.59 -54.21 49.62 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-O 121.645 0.736 . . . . 62.02 110.369 173.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 18' ' ' ILE . 88.6 t -70.43 -30.28 42.26 Favored 'Isoleucine or valine' 0 C--O 1.247 0.966 0 CA-C-N 114.183 -1.372 . . . . 75.24 112.278 -169.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -57.68 -49.15 77.46 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.008 0.523 . . . . 74.03 109.671 170.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -69.58 -24.49 63.69 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.182 0.993 . . . . 73.31 111.535 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -76.5 -15.37 59.9 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.172 0.589 . . . . 71.43 111.565 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.51 17.87 47.61 Favored Glycine 0 C--N 1.344 0.974 0 O-C-N 123.238 0.336 . . . . 75.21 113.07 177.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.485 ' OH ' ' HA ' ' A' ' 121' ' ' MET . 1.8 m-85 -97.04 159.09 15.11 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.344 0.658 . . . . 73.22 109.673 177.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.415 ' HB2' HG21 ' A' ' 54' ' ' ILE . 22.8 mp0 -86.39 112.75 21.75 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 107.752 -1.203 . . . . 73.24 107.752 176.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.3 t -88.77 110.85 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 109.306 -0.627 . . . . 75.24 109.306 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -123.06 105.68 10.15 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.285 -1.006 . . . . 73.52 108.285 175.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -89.19 151.31 22.24 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.833 -0.803 . . . . 73.24 108.833 177.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.578 HG11 HD13 ' A' ' 63' ' ' LEU . 98.5 t -130.66 121.43 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.655 -0.868 . . . . 74.12 108.655 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -129.32 17.64 5.97 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.76 0.824 . . . . 71.51 110.16 177.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -161.96 151.33 16.0 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.984 0.913 . . . . 70.4 109.971 -175.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.4 m -67.16 -36.6 82.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.956 0.902 . . . . 72.32 112.077 -178.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.521 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 8.1 m-20 -77.54 -20.32 54.34 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 110.007 -0.368 . . . . 74.43 110.007 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 37.3 mm-40 -68.65 -45.73 71.03 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.816 0.446 . . . . 73.04 111.236 170.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.438 ' O ' ' HG2' ' A' ' 42' ' ' MET . 1.2 pp -63.12 -41.27 99.3 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 110.263 -0.273 . . . . 74.12 110.263 -175.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.521 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 17.7 ptpt -64.96 -27.34 68.77 Favored 'General case' 0 CA--C 1.554 1.131 0 O-C-N 123.016 0.197 . . . . 72.44 111.43 -176.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -70.16 -55.47 9.3 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.488 0.715 . . . . 72.31 110.392 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 16.7 mm-40 -64.17 -38.14 89.99 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.795 0.838 . . . . 72.13 111.402 -171.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.438 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 87.6 mmm -68.27 -32.39 72.52 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.473 0.709 . . . . 75.0 111.504 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 53.1 mtpt -67.78 -43.76 79.03 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 118.901 -0.571 . . . . 75.44 109.941 174.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -53.22 -33.84 54.58 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 123.6 0.76 . . . . 74.35 112.27 -177.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.0 mt -65.61 -38.11 88.51 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.208 1.003 . . . . 64.32 110.931 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.43 -32.82 20.67 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.476 1.11 . . . . 74.32 112.22 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 20.6 mm-40 -73.22 -55.12 6.87 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 108.734 -0.839 . . . . 75.2 108.734 -176.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -83.16 129.48 35.02 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 114.807 -1.088 . . . . 65.31 108.462 174.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -104.1 -56.77 2.14 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.753 0.821 . . . . 75.15 109.957 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -85.17 86.89 7.34 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.838 -0.619 . . . . 72.14 111.176 -174.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -167.5 154.67 8.53 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.324 1.45 . . . . 73.02 108.211 168.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.42 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 13.4 pt-20 -70.15 173.94 6.06 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.235 0.614 . . . . 64.1 111.983 -172.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.453 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -47.75 132.25 14.49 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.13 1.372 . . . . 75.35 112.804 174.324 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.415 HG21 ' HB2' ' A' ' 28' ' ' GLN . 4.0 mp -103.89 146.29 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.109 0.963 . . . . 72.42 109.376 -174.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.9 tt -107.09 112.09 24.85 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 123.339 0.656 . . . . 74.53 109.369 175.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.3 mm -96.97 138.73 21.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 N-CA-C 108.135 -1.061 . . . . 74.3 108.135 175.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.4 mt -116.81 152.72 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 107.206 -1.405 . . . . 70.42 107.206 169.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.1 t -146.51 149.49 33.72 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 124.004 0.922 . . . . 75.24 108.726 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -93.7 -6.42 46.29 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.116 0.966 . . . . 73.4 110.596 -178.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -141.79 150.93 42.34 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.427 0.691 . . . . 75.15 111.198 -172.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -85.85 -28.78 24.21 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.187 0.995 . . . . 75.34 112.467 -173.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -65.32 -36.09 82.98 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 109.477 -0.564 . . . . 75.12 109.477 176.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.578 HD13 HG11 ' A' ' 32' ' ' VAL . 75.0 mt -65.5 -45.88 81.86 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.428 0.691 . . . . 75.11 110.009 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.594 HD11 ' HB2' ' A' ' 8' ' ' ASN . 96.0 mt -50.72 -59.64 3.87 Favored 'General case' 0 C--N 1.37 1.458 0 O-C-N 124.315 1.009 . . . . 74.31 110.43 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.511 ' HA ' HD13 ' A' ' 68' ' ' LEU . 37.3 ttpt -59.92 -41.99 92.95 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 125.051 1.469 . . . . 73.44 110.988 -167.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -54.09 -54.17 43.18 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 124.295 0.997 . . . . 63.23 110.564 173.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.459 ' O ' HG13 ' A' ' 71' ' ' ILE . 78.9 mtm -63.26 -43.22 98.6 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.239 -0.891 . . . . 74.23 111.57 -176.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 65' ' ' LYS . 74.6 mt -54.85 -42.23 71.71 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.259 1.024 . . . . 73.15 111.026 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.562 ' HA ' ' HH ' ' A' ' 102' ' ' TYR . 45.9 mt-10 -66.87 -44.65 80.38 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.754 -1.112 . . . . 75.43 110.726 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.84 -45.06 90.94 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.694 0.797 . . . . 75.14 111.198 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.518 HD12 ' HB3' ' A' ' 4' ' ' LEU . 89.9 mt -59.6 -33.04 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 124.848 1.259 . . . . 71.23 111.79 -178.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.1 t -62.07 -47.07 86.31 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 115.501 -0.772 . . . . 64.24 111.136 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.92 -7.34 58.28 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 111.73 0.27 . . . . 74.24 111.73 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.2 mt -76.95 -31.03 56.3 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 109.888 -0.412 . . . . 74.03 109.888 168.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.99 50.89 2.01 Favored Glycine 0 C--N 1.347 1.171 0 CA-C-N 116.296 -0.411 . . . . 71.11 112.63 175.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.464 ' HB2' HG23 ' A' ' 71' ' ' ILE . 16.7 m-85 -128.38 144.36 51.12 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.846 0.859 . . . . 74.11 109.577 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.584 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . 49.9 tttm -71.63 117.04 12.71 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.053 -0.721 . . . . 75.52 109.053 174.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.43 129.8 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.652 0.781 . . . . 75.12 110.754 -168.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -123.33 149.31 45.03 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 107.872 -1.159 . . . . 73.2 107.872 172.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.419 HD11 HD12 ' A' ' 64' ' ' LEU . 56.1 tp -141.73 143.25 33.42 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 107.738 -1.208 . . . . 62.12 107.738 178.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.453 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 35.9 tp -144.2 128.65 17.97 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 105.918 -1.882 . . . . 74.11 105.918 178.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 106' ' ' LYS . 1.3 pp -145.73 149.0 33.6 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.256 0.55 . . . . 75.55 111.832 -174.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.429 ' HB3' HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -150.7 155.76 39.96 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-N 114.291 -1.322 . . . . 74.53 108.988 175.392 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.471 ' HB2' HD23 ' A' ' 90' ' ' LEU . 6.0 t70 -157.74 173.08 17.37 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 107.893 -1.151 . . . . 72.25 107.893 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -60.28 -52.69 64.19 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 109.233 -0.654 . . . . 75.53 109.233 167.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -92.77 119.1 31.8 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.603 -0.726 . . . . 73.42 109.518 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.531 ' HA ' HD11 ' A' ' 90' ' ' LEU . 50.4 tt0 -75.02 -27.49 60.1 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.372 1.069 . . . . 74.15 111.647 -176.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.4 ' HA ' ' HG2' ' A' ' 91' ' ' GLU . 19.6 m120 -70.96 -34.28 71.29 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 116.491 -0.322 . . . . 73.34 111.109 -176.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -58.03 -35.47 71.33 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.172 0.589 . . . . 74.23 111.193 172.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.531 HD11 ' HA ' ' A' ' 87' ' ' GLU . 80.2 mt -72.31 -47.79 47.16 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.843 -1.072 . . . . 75.52 111.803 -177.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.514 ' HB3' ' HE2' ' A' ' 106' ' ' LYS . 8.4 pt-20 -81.54 -25.31 35.99 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 123.425 0.453 . . . . 74.21 112.134 -173.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -74.92 -30.41 61.25 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 117.883 0.31 . . . . 72.34 110.39 171.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -71.49 -39.77 70.65 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 122.376 0.27 . . . . 74.03 110.524 168.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.613 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 28.4 ttpp -65.73 -42.32 91.19 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.459 0.704 . . . . 75.25 111.862 -173.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -57.8 -27.19 62.9 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.033 0.533 . . . . 72.41 111.755 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.12 -34.94 59.48 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.411 1.084 . . . . 64.03 110.496 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.417 HG23 ' HB2' ' A' ' 102' ' ' TYR . 32.9 mm -78.1 -41.01 26.68 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 C-N-CA 124.531 1.132 . . . . 74.21 111.086 -177.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.44 -31.28 72.43 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.576 1.15 . . . . 74.31 111.505 173.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.3 t -63.34 -37.55 87.68 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 123.806 0.691 . . . . 75.0 110.723 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -80.19 -21.49 42.92 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.723 0.809 . . . . 75.01 110.898 175.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.34 33.8 7.87 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 116.385 -0.37 . . . . 75.35 113.485 172.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.562 ' HH ' ' HA ' ' A' ' 69' ' ' GLU . 20.7 m-85 -94.91 143.09 26.75 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.729 -0.471 . . . . 75.25 109.729 176.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -75.22 92.56 2.73 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.572 0.749 . . . . 74.52 110.02 -175.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 p -110.32 138.85 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.704 0.802 . . . . 73.31 111.369 -172.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -123.01 118.95 28.96 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.401 1.081 . . . . 65.11 108.948 177.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.613 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 1.3 tmmt? -103.3 124.23 48.26 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.186 0.994 . . . . 72.32 109.373 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.429 HG21 ' HB3' ' A' ' 83' ' ' GLN . 33.7 m -128.82 156.74 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 108.281 -1.007 . . . . 73.42 108.281 178.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.0 m -86.8 -62.67 1.45 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 109.117 -0.697 . . . . 73.21 109.117 176.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -95.39 169.22 10.21 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.051 1.13 . . . . 75.3 114.051 -167.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.535 ' HA ' HD23 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -59.23 -54.3 48.49 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 112.264 -2.244 . . . . 64.24 112.225 -175.445 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.38 -32.3 71.18 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.514 0.726 . . . . 74.23 111.957 -175.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.657 ' HA ' ' HE2' ' A' ' 115' ' ' LYS . 44.6 mt-10 -70.66 -33.44 70.96 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 123.569 0.748 . . . . 73.02 111.238 -176.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -69.07 -40.0 78.74 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.805 -0.634 . . . . 75.12 110.183 174.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.32 -33.58 76.16 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.277 0.631 . . . . 71.31 110.93 -178.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.657 ' HE2' ' HA ' ' A' ' 112' ' ' GLU . 51.3 mtmt -57.96 -59.0 5.93 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 123.906 0.754 . . . . 75.04 110.093 175.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 44.8 mt -70.76 -25.63 26.65 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 123.845 0.858 . . . . 71.02 111.769 -170.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 43.8 t -59.36 -51.78 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.207 0.603 . . . . 75.43 109.518 169.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -70.0 -38.66 76.05 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.738 -0.664 . . . . 74.32 111.3 -178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.48 -33.37 75.73 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.262 0.625 . . . . 71.51 111.708 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -64.47 -30.36 71.39 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.563 0.345 . . . . 75.54 110.557 176.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.485 ' HA ' ' OH ' ' A' ' 27' ' ' TYR . 21.9 mmt -58.44 -31.25 67.58 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 123.563 0.539 . . . . 75.31 111.624 -178.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 . . . . . 0 CA--C 1.556 1.203 0 C-N-CA 123.253 0.621 . . . . 74.23 112.035 175.021 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 108.944 -0.761 . . . . 73.33 108.944 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.445 ' HG3' ' HB3' ' A' ' 77' ' ' LYS . 3.2 mp0 -110.98 124.93 53.11 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 108.287 -1.005 . . . . 75.02 108.287 172.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.434 HD11 HD21 ' A' ' 45' ' ' LEU . 3.8 mm? -105.66 130.45 53.68 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 109.816 -0.439 . . . . 64.45 109.816 -174.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.0 tt -117.34 115.32 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.571 -0.899 . . . . 73.51 108.571 178.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 mp -104.91 121.11 43.02 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.467 -0.938 . . . . 72.04 108.467 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.554 HG23 HD12 ' A' ' 18' ' ' ILE . 2.1 mp -99.72 129.74 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 108.735 -0.839 . . . . 73.41 108.735 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.533 ' HB2' HD12 ' A' ' 64' ' ' LEU . 4.4 t-20 -110.7 114.23 27.45 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 108.406 -0.961 . . . . 75.33 108.406 173.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.463 HG21 HG22 ' A' ' 7' ' ' ILE . 1.5 t -145.89 132.1 19.46 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.688 0.795 . . . . 73.5 109.937 -178.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -102.5 15.31 29.6 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.337 0.655 . . . . 75.24 111.55 175.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.449 ' O ' HG13 ' A' ' 15' ' ' ILE . 39.2 t30 -113.9 109.32 18.32 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 109.115 -0.698 . . . . 75.33 109.115 174.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -52.21 -42.52 63.6 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.891 1.276 . . . . 71.13 111.54 177.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -63.36 -39.56 94.88 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 115.128 -0.942 . . . . 75.31 111.361 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.3 tp -69.13 -37.75 78.49 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 119.057 -0.497 . . . . 73.35 110.417 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.475 HG22 ' HE3' ' A' ' 19' ' ' LYS . 24.9 mt -57.42 -40.0 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 123.623 0.577 . . . . 73.03 109.909 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -62.3 -47.05 86.02 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 115.415 -0.811 . . . . 74.24 111.105 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -66.36 -36.47 82.97 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.646 0.778 . . . . 64.53 111.354 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.554 HD12 HG23 ' A' ' 7' ' ' ILE . 87.6 mt -62.76 -51.02 77.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 CA-C-N 115.052 -0.977 . . . . 74.33 108.964 175.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.593 ' HE2' HG11 ' A' ' 29' ' ' VAL . 91.0 mttt -58.21 -33.3 69.15 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.365 0.666 . . . . 71.1 111.984 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 10.3 mmpt? -62.12 -48.01 82.04 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.573 0.545 . . . . 74.52 109.998 174.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.561 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 50.8 mm-40 -60.36 -47.06 87.69 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.961 0.788 . . . . 75.43 111.973 175.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 18' ' ' ILE . 44.8 t -58.91 -36.53 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 123.681 0.792 . . . . 70.01 110.676 -176.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.94 -44.81 79.65 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.256 -0.883 . . . . 72.35 111.134 174.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -61.55 -30.77 70.86 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 123.757 0.823 . . . . 73.4 110.966 177.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 73.7 mm-40 -84.34 -25.42 29.22 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.902 0.881 . . . . 73.15 110.414 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.15 26.34 19.07 Favored Glycine 0 C--N 1.354 1.54 0 C-N-CA 123.106 0.384 . . . . 55.34 113.662 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -106.24 159.1 16.37 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.98 0.912 . . . . 73.35 110.047 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -95.04 128.72 42.08 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.71 0.804 . . . . 61.33 109.58 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.593 HG11 ' HE2' ' A' ' 19' ' ' LYS . 25.5 t -86.91 124.51 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.195 0.598 . . . . 75.22 109.602 175.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -124.26 111.55 15.97 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 108.35 -0.981 . . . . 72.41 108.35 170.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -86.4 147.05 26.19 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.32 1.048 . . . . 73.4 111.351 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.438 HG13 HD13 ' A' ' 63' ' ' LEU . 94.1 t -132.79 121.4 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.339 1.056 . . . . 75.02 108.819 177.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -132.52 7.73 4.18 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.48 0.712 . . . . 73.05 110.352 173.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.468 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 10.4 t70 -144.95 148.56 33.95 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.962 0.505 . . . . 51.41 109.842 -177.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.453 ' HA ' HD22 ' A' ' 38' ' ' LEU . 19.6 p -73.9 -17.37 61.04 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.742 0.817 . . . . 75.54 112.868 -175.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.452 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 13.7 t70 -77.49 -41.8 38.06 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.351 0.66 . . . . 64.11 109.731 173.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.468 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 14.1 mm-40 -59.23 -43.47 92.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.684 0.793 . . . . 72.33 112.236 -175.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 35' ' ' SER . 3.2 pp -61.61 -41.98 98.23 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 123.938 0.774 . . . . 75.31 112.12 -168.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 18.9 ptpt -65.37 -35.52 81.22 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.406 0.441 . . . . 75.51 110.555 -176.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 44.5 mtpt -70.91 -36.55 72.74 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.585 1.154 . . . . 74.23 110.79 -178.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -68.66 -41.0 79.94 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.659 0.6 . . . . 73.13 109.81 176.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.507 ' SD ' HG13 ' A' ' 71' ' ' ILE . 31.6 mmt -62.76 -38.7 91.61 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.339 0.656 . . . . 62.44 110.896 177.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.507 ' HZ3' ' HB3' ' A' ' 43' ' ' LYS . 9.0 mtpm? -65.94 -38.2 88.01 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.352 -0.386 . . . . 72.23 110.839 178.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 46.6 mmtm -60.25 -32.85 71.54 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 123.268 0.627 . . . . 71.12 112.326 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.434 HD21 HD11 ' A' ' 4' ' ' LEU . 23.2 mt -62.34 -33.47 74.76 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.986 0.804 . . . . 73.55 110.285 175.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.495 ' HB1' HD23 ' A' ' 74' ' ' LEU . . . -93.17 -23.39 18.59 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.911 1.284 . . . . 64.04 112.737 -177.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -63.58 -55.69 21.78 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 118.059 0.391 . . . . 60.41 111.125 -173.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.18 156.73 21.93 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 122.889 0.475 . . . . 72.13 110.635 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -103.24 -41.36 6.08 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.703 0.801 . . . . 63.53 112.544 -175.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -126.21 86.55 2.54 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.976 0.51 . . . . 75.31 110.584 -169.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -162.36 163.26 27.96 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-N 115.205 -0.907 . . . . 70.24 109.239 -178.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.22 178.73 5.56 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.665 0.745 . . . . 63.2 111.474 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.424 ' HD2' ' HB2' ' A' ' 3' ' ' GLU . 17.3 pttt -89.37 150.54 22.5 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 114.854 -1.066 . . . . 75.21 111.919 -176.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.8 mp -105.31 138.26 31.1 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-N 114.668 -1.151 . . . . 73.03 109.398 -173.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.464 HD12 HG21 ' A' ' 22' ' ' VAL . 6.5 tt -90.8 121.22 32.48 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.983 -0.747 . . . . 72.34 108.983 172.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.2 mm -98.63 137.82 25.01 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 123.802 0.841 . . . . 73.44 108.762 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.1 mt -119.53 134.01 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 N-CA-C 107.271 -1.381 . . . . 74.04 107.271 166.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.9 t -133.07 143.97 49.69 Favored 'General case' 0 C--O 1.243 0.735 0 C-N-CA 123.271 0.629 . . . . 71.34 110.018 177.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -77.77 -33.29 52.78 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.061 0.944 . . . . 74.1 111.238 -177.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -121.16 151.61 39.72 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.518 0.727 . . . . 63.25 111.743 -168.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -80.03 -34.12 38.6 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.451 1.101 . . . . 73.41 112.89 -174.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 49.8 mt-30 -64.77 -33.08 75.12 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 110.023 -0.362 . . . . 73.34 110.023 178.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.438 HD13 HG13 ' A' ' 32' ' ' VAL . 68.6 mt -68.15 -38.97 82.72 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 123.983 0.802 . . . . 74.52 110.721 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.589 HD13 HD13 ' A' ' 80' ' ' LEU . 89.1 mt -55.32 -56.35 21.12 Favored 'General case' 0 C--N 1.36 1.047 0 O-C-N 124.313 1.008 . . . . 71.53 110.539 178.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -58.97 -39.49 81.89 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 124.48 1.113 . . . . 74.45 111.71 -172.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 16.1 mm-40 -56.54 -49.92 73.4 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 124.228 0.955 . . . . 74.31 110.901 173.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 74.7 mtm -63.42 -40.43 97.15 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.762 -0.653 . . . . 73.11 111.677 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.506 HD12 HD23 ' A' ' 80' ' ' LEU . 60.7 mt -57.47 -45.22 85.04 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.353 0.661 . . . . 74.42 111.707 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -76.55 -29.52 56.73 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.629 -0.714 . . . . 75.4 111.127 -177.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.563 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 81.0 mt -70.31 -42.98 71.27 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 123.099 0.249 . . . . 75.52 111.016 174.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.507 HG13 ' SD ' ' A' ' 42' ' ' MET . 71.4 mt -64.57 -33.11 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 C-N-CA 123.674 0.79 . . . . 75.2 110.155 176.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.1 t -67.76 -41.2 83.68 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.058 -0.974 . . . . 73.14 111.018 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -77.43 -24.65 50.35 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 116.857 -0.156 . . . . 70.22 110.914 177.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 98.2 mt -66.93 -28.42 68.28 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 122.808 0.443 . . . . 74.22 109.872 170.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.78 23.28 21.27 Favored Glycine 0 C--N 1.348 1.205 0 CA-C-N 115.512 -0.767 . . . . 72.43 113.212 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -100.46 170.51 8.35 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.672 0.789 . . . . 72.12 111.068 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.445 ' HB3' ' HG3' ' A' ' 3' ' ' GLU . 11.6 ttmm -69.25 128.45 36.64 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 109.577 -0.527 . . . . 71.02 109.577 170.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.3 t -100.4 108.36 22.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.658 0 CA-C-N 115.061 -0.972 . . . . 74.44 109.101 174.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -115.12 137.09 52.41 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.01 -1.107 . . . . 55.34 108.01 172.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.589 HD13 HD13 ' A' ' 64' ' ' LEU . 57.3 tp -131.03 149.27 52.69 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.424 1.09 . . . . 73.43 108.769 -178.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.526 HD23 HG13 ' A' ' 7' ' ' ILE . 41.0 tp -138.6 135.24 34.74 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.461 -1.681 . . . . 75.35 106.461 176.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.565 HD11 ' HB3' ' A' ' 90' ' ' LEU . 0.6 OUTLIER -136.55 142.23 43.4 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 122.79 0.436 . . . . 74.3 110.778 175.281 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.78 146.6 34.41 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 124.353 1.061 . . . . 75.44 109.069 178.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -157.51 165.54 35.35 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 125.239 1.416 . . . . 75.44 107.677 167.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -75.45 -17.07 60.25 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.877 -0.601 . . . . 74.11 109.725 168.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -104.02 109.09 20.73 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.269 1.028 . . . . 74.2 108.499 171.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -75.01 -21.66 58.97 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.796 0.838 . . . . 74.41 111.958 -175.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -75.46 -28.08 59.15 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.633 0.373 . . . . 74.51 111.418 -176.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -59.06 -36.04 74.37 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.565 0.697 . . . . 63.55 111.019 170.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.565 ' HB3' HD11 ' A' ' 82' ' ' LEU . 79.2 mt -75.32 -50.22 16.68 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 114.328 -1.306 . . . . 62.14 111.594 -172.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -73.49 -27.67 61.51 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.315 0.858 . . . . 74.21 113.315 -170.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.68 -39.62 73.4 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 118.024 0.374 . . . . 71.0 110.783 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.474 ' O ' HG12 ' A' ' 97' ' ' ILE . 57.1 t80 -73.79 -42.18 61.35 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.698 0.399 . . . . 72.22 110.167 174.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.428 ' HD2' ' HB2' ' A' ' 106' ' ' LYS . 62.3 tttp -60.3 -44.8 95.1 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.695 0.798 . . . . 71.32 111.578 -175.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -62.09 -27.96 69.28 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 123.643 0.589 . . . . 74.55 111.795 -178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -71.75 -42.53 67.1 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.216 0.606 . . . . 72.43 109.963 174.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 93' ' ' PHE . 30.6 mm -69.6 -30.35 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 C-N-CA 123.76 0.824 . . . . 70.42 110.834 -178.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 56.2 mm-40 -57.87 -47.43 82.77 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.354 0.662 . . . . 72.3 110.372 168.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.9 m -69.36 -31.09 69.29 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.971 0.908 . . . . 70.21 111.715 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -73.73 -23.54 59.78 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.421 0.688 . . . . 55.34 110.007 173.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.27 44.74 6.12 Favored Glycine 0 C--N 1.349 1.253 0 CA-C-N 115.826 -0.625 . . . . 74.14 112.859 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -117.75 142.61 47.07 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.583 0.753 . . . . 63.21 109.82 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -78.91 88.53 4.71 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.087 0.955 . . . . 63.24 110.894 -174.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 p -105.73 140.19 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.628 0.771 . . . . 64.34 111.129 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -111.6 136.4 50.85 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.658 0.783 . . . . 75.21 109.48 175.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.496 ' HA ' HD12 ' A' ' 82' ' ' LEU . 29.9 ttmt -102.17 128.95 48.45 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.261 0.625 . . . . 75.4 109.366 175.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.423 ' HB ' ' HB2' ' A' ' 112' ' ' GLU . 34.3 m -136.02 144.57 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 109.316 -0.624 . . . . 64.43 109.316 175.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.0 m -102.3 -37.62 7.99 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.738 0.815 . . . . 75.31 110.086 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -100.17 155.68 17.62 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.047 -0.978 . . . . 72.42 111.406 -171.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -48.59 -54.33 14.97 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.847 1.659 . . . . 75.54 111.762 170.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 11.2 pt-20 -56.93 -42.61 80.31 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 124.324 1.015 . . . . 74.14 111.464 -174.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.469 ' O ' HG12 ' A' ' 116' ' ' ILE . 45.5 mt-10 -66.33 -39.09 89.01 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 123.985 0.803 . . . . 73.14 110.69 -175.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.19 -42.29 96.73 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.755 0.659 . . . . 73.53 111.104 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.45 -36.03 82.85 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.782 0.833 . . . . 75.34 110.557 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 98.0 mttt -65.84 -45.8 80.88 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 115.205 -0.907 . . . . 74.44 110.615 177.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 112' ' ' GLU . 50.6 mm -65.66 -32.92 60.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 C-N-CA 122.899 0.48 . . . . 71.3 111.74 -175.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.503 ' O ' ' HG2' ' A' ' 121' ' ' MET . 85.3 t -53.44 -51.49 41.09 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 O-C-N 123.621 0.575 . . . . 73.52 109.474 170.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -69.72 -40.64 76.11 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.105 0.962 . . . . 74.44 111.555 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 47.8 mm-40 -56.72 -42.03 78.46 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.313 1.045 . . . . 75.12 111.239 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -63.04 -41.73 99.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.507 0.723 . . . . 74.52 111.156 176.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 14.8 mmt -64.55 -24.26 67.54 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 112.37 0.507 . . . . 74.33 112.37 -171.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 . . . . . 0 CA--C 1.552 1.023 0 N-CA-C 109.577 -0.527 . . . . 74.13 109.577 168.378 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 79.5 tttt . . . . . 0 C--O 1.233 0.21 0 N-CA-C 106.171 -1.789 . . . . 75.13 106.171 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 2.2 mp0 -89.04 136.97 32.73 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.429 -0.805 . . . . 74.41 110.472 -172.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.481 ' HB2' HG21 ' A' ' 71' ' ' ILE . 4.5 mm? -118.84 111.37 18.34 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 106.548 -1.649 . . . . 75.23 106.548 174.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.409 HG13 ' HD1' ' A' ' 79' ' ' PHE . 3.2 tt -105.5 120.13 55.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.865 0.866 . . . . 74.4 108.759 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mp -101.63 123.6 45.89 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.408 -0.96 . . . . 75.34 108.408 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.3 mp -100.8 119.15 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 108.577 -0.898 . . . . 62.04 108.577 177.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.422 ' HB2' HD12 ' A' ' 64' ' ' LEU . 4.8 t-20 -96.21 118.61 33.13 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 107.2 -1.407 . . . . 71.41 107.2 169.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.43 HG21 HG12 ' A' ' 15' ' ' ILE . 1.8 t -144.44 136.65 26.33 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.279 0.632 . . . . 64.12 109.575 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -96.54 -11.3 25.63 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 114.962 -1.017 . . . . 75.24 110.839 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -97.96 114.68 26.87 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.052 0.941 . . . . 70.33 109.847 -172.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.79 -43.79 92.07 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.641 1.176 . . . . 75.31 112.431 -170.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 9.0 pt-20 -63.37 -37.86 88.92 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.886 -0.597 . . . . 73.14 110.519 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.453 ' O ' HG13 ' A' ' 18' ' ' ILE . 47.4 tp -63.34 -42.47 98.95 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 123.82 0.7 . . . . 75.13 110.352 178.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.596 HG22 HG23 ' A' ' 57' ' ' ILE . 50.1 mt -53.23 -49.95 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 123.307 0.643 . . . . 74.32 110.222 177.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -59.68 -46.6 88.57 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.856 -1.065 . . . . 75.3 111.468 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 60.3 mtpt -63.43 -40.9 98.42 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.008 -0.996 . . . . 72.23 111.176 -176.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 22' ' ' VAL . 80.9 mt -61.33 -49.09 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 123.865 0.728 . . . . 64.12 109.141 176.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.51 ' HE3' HG23 ' A' ' 15' ' ' ILE . 98.8 mttt -50.61 -46.91 58.3 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 123.915 0.759 . . . . 73.1 111.109 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -62.06 -46.37 89.44 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.541 0.736 . . . . 73.44 111.275 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 13.1 mm-40 -61.37 -44.18 97.61 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.391 0.676 . . . . 70.15 111.542 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 18' ' ' ILE . 78.9 t -68.26 -33.65 61.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 C-N-CA 124.291 1.036 . . . . 64.21 111.15 -177.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -68.97 -37.09 78.59 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.391 0.676 . . . . 74.13 110.558 174.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -63.32 -38.03 89.59 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.312 0.645 . . . . 72.5 110.338 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 13.9 mm-40 -80.79 -14.3 58.2 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 115.18 -0.918 . . . . 74.51 111.474 -179.05 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.17 28.7 33.03 Favored Glycine 0 C--N 1.353 1.475 0 N-CA-C 114.199 0.44 . . . . 73.33 114.199 172.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -96.26 159.75 14.79 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.163 0.585 . . . . 74.41 109.457 175.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.441 HE21 HG13 ' A' ' 54' ' ' ILE . 1.1 mp0 -79.82 114.1 18.48 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.377 -0.972 . . . . 72.52 108.377 177.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.77 104.78 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 109.438 -0.579 . . . . 72.2 109.438 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -100.89 129.71 46.79 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 107.51 -1.293 . . . . 74.51 107.51 169.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -122.56 115.89 22.93 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.638 0.732 . . . . 62.01 109.745 176.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.522 HG11 ' HB3' ' A' ' 38' ' ' LEU . 87.5 t -109.51 120.83 61.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 125.133 1.373 . . . . 72.4 108.304 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -103.12 -19.64 14.46 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.094 0.557 . . . . 74.35 109.814 176.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -150.57 154.46 37.6 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.238 1.015 . . . . 71.54 110.068 -175.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.8 p -65.62 -17.48 64.62 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 113.757 1.021 . . . . 70.33 113.757 -173.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.447 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 26.7 t70 -69.76 -22.72 63.33 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.995 0.518 . . . . 71.4 110.614 177.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.409 ' HB2' HG12 ' A' ' 32' ' ' VAL . 40.4 mt-10 -83.45 -46.42 12.52 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 124.183 0.993 . . . . 72.23 111.608 177.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.522 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.8 pp -65.59 -34.75 78.96 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 123.062 0.226 . . . . 71.21 111.495 -172.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.447 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 18.7 ptpt -60.6 -27.92 68.1 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.656 0.382 . . . . 73.12 111.667 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -83.07 -48.57 10.45 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.172 0.989 . . . . 71.04 111.248 -177.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.59 -24.71 38.96 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.92 -0.582 . . . . 74.53 111.573 -173.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.428 ' HE2' HD12 ' A' ' 71' ' ' ILE . 8.7 mmt -63.08 -33.91 76.47 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.397 0.679 . . . . 74.41 111.606 171.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 66.2 mttm -58.19 -50.45 73.49 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.748 -0.834 . . . . 63.43 108.748 171.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -63.66 -34.18 77.28 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 115.018 -0.992 . . . . 74.42 112.268 -177.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.0 mt -65.14 -36.71 85.1 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.061 0.544 . . . . 71.4 111.08 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.78 -39.89 26.03 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.598 0.759 . . . . 71.1 111.319 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 30.3 mm-40 -66.31 -55.64 15.03 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.766 0.826 . . . . 75.3 110.147 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -73.61 86.61 1.62 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 107.502 -1.296 . . . . 74.14 107.502 174.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -82.74 -62.04 1.71 Allowed 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.28 -0.873 . . . . 71.43 108.879 -174.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -86.37 94.83 9.47 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.826 -1.079 . . . . 73.41 110.222 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.459 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -172.46 -179.52 2.24 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.925 1.29 . . . . 72.44 108.736 165.815 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.27 164.97 12.38 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.461 0.648 . . . . 72.23 111.894 179.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 32.0 pttt -81.92 159.85 23.54 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.007 -0.997 . . . . 71.21 112.165 -172.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.459 HD11 ' CZ ' ' A' ' 51' ' ' PHE . 4.1 mp -120.31 149.0 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 114.527 -1.215 . . . . 73.04 109.257 -166.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.467 HD22 HG22 ' A' ' 22' ' ' VAL . 5.8 tt -112.92 122.9 49.02 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.972 0.909 . . . . 74.15 108.953 174.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.2 mm -99.03 136.8 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 N-CA-C 108.121 -1.066 . . . . 72.32 108.121 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.596 HG23 HG22 ' A' ' 15' ' ' ILE . 67.1 mt -116.47 122.45 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 106.175 -1.787 . . . . 74.12 106.175 166.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 27.7 t -128.2 116.63 20.19 Favored 'General case' 0 C--O 1.242 0.671 0 N-CA-C 108.957 -0.757 . . . . 74.13 108.957 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -65.74 -55.93 14.7 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.82 -1.082 . . . . 74.41 110.532 -178.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 10.5 t70 -83.5 145.29 29.0 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 115.903 -0.59 . . . . 64.24 109.766 -174.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -88.37 -22.65 23.69 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.654 0.983 . . . . 75.24 113.654 -167.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -68.36 -27.67 66.45 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 109.373 -0.603 . . . . 74.1 109.373 175.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.495 ' HG ' ' HB3' ' A' ' 60' ' ' ASP . 21.7 mt -68.61 -44.16 74.87 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 114.834 -1.076 . . . . 75.43 109.59 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.451 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 68.1 mt -53.31 -59.79 4.12 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.874 1.358 . . . . 65.44 110.221 177.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -49.25 -46.98 46.83 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 124.511 1.132 . . . . 72.24 111.935 -175.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -63.0 -54.03 44.74 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.597 -0.729 . . . . 74.42 112.107 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 77.1 mtm -65.88 -40.72 91.87 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.202 0.601 . . . . 73.45 112.516 -172.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 63.9 mt -49.37 -43.56 44.12 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.262 1.025 . . . . 74.22 111.21 175.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.52 ' HA ' ' HH ' ' A' ' 102' ' ' TYR . 49.0 mt-10 -83.3 -27.22 29.96 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 115.237 -0.892 . . . . 54.0 112.131 -176.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.412 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 94.8 mt -63.79 -51.32 65.33 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.178 0.591 . . . . 72.53 110.277 172.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.481 HG21 ' HB2' ' A' ' 4' ' ' LEU . 75.4 mt -60.86 -36.27 70.47 Favored 'Isoleucine or valine' 0 C--O 1.247 0.969 0 C-N-CA 124.953 1.301 . . . . 73.13 111.189 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -62.79 -45.62 91.81 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 115.478 -0.783 . . . . 72.53 110.747 177.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -12.64 57.52 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.807 0.443 . . . . 63.42 111.881 -179.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 93.0 mt -71.05 -32.41 69.1 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 108.632 -0.877 . . . . 75.44 108.632 165.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.6 9.99 34.22 Favored Glycine 0 C--N 1.341 0.842 0 CA-C-N 115.006 -0.997 . . . . 75.04 112.218 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.449 ' HB2' HG22 ' A' ' 71' ' ' ILE . 16.4 m-85 -88.38 152.0 22.21 Favored 'General case' 0 C--O 1.245 0.825 0 C-N-CA 123.619 0.768 . . . . 72.12 109.536 176.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -73.18 137.42 45.06 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.294 -0.632 . . . . 74.24 109.294 175.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.1 t -107.42 134.78 48.15 Favored 'Isoleucine or valine' 0 C--O 1.244 0.799 0 C-N-CA 124.122 0.969 . . . . 75.11 109.933 -178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.409 ' HD1' HG13 ' A' ' 5' ' ' ILE . 56.1 t80 -134.09 146.69 50.52 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 107.432 -1.322 . . . . 73.22 107.432 170.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.437 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 55.6 tp -129.79 140.76 50.98 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 108.481 -0.933 . . . . 65.23 108.481 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.3 tp -136.79 112.88 9.73 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 106.429 -1.693 . . . . 74.55 106.429 174.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.447 HD11 ' HA ' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -119.72 151.03 39.41 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.212 0.605 . . . . 72.21 111.349 -172.67 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.51 ' HA ' HD21 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -145.89 109.53 4.78 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 107.808 -1.182 . . . . 72.13 107.808 172.607 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -104.08 154.35 19.82 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 108.228 -1.027 . . . . 72.42 108.228 169.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -70.56 -30.47 67.19 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.909 -0.587 . . . . 74.35 109.489 169.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -89.39 105.3 17.7 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.652 0.781 . . . . 72.35 109.236 173.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.466 ' HA ' HD13 ' A' ' 90' ' ' LEU . 10.5 tp10 -62.59 -29.89 70.93 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.458 0.703 . . . . 72.12 112.019 -178.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -60.37 -23.62 64.45 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.934 -1.03 . . . . 74.24 112.549 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -79.14 -38.97 34.76 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 112.522 0.564 . . . . 74.44 112.522 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.51 HD21 ' HA ' ' A' ' 83' ' ' GLN . 5.6 mp -62.9 -46.54 87.36 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 123.195 0.309 . . . . 74.45 111.174 -173.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.2 -41.86 97.58 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.766 0.826 . . . . 74.41 112.149 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -77.55 -36.52 52.18 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.006 0.522 . . . . 75.55 111.446 -175.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.462 ' O ' HG12 ' A' ' 97' ' ' ILE . 1.9 t80 -69.5 -40.47 76.99 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 109.065 -0.717 . . . . 73.34 109.065 175.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.622 ' HD3' ' HD2' ' A' ' 106' ' ' LYS . 23.0 mtpt -58.93 -52.88 63.87 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.41 0.684 . . . . 75.44 112.514 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -56.99 -26.51 60.23 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 123.496 0.498 . . . . 74.41 111.681 -173.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 32.8 mmtp -79.24 -50.25 11.23 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.596 0.758 . . . . 74.44 110.891 176.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.468 HG23 ' HB2' ' A' ' 102' ' ' TYR . 38.3 mm -65.27 -39.55 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 123.939 0.896 . . . . 75.41 110.971 -175.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -53.47 -48.01 69.27 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.637 1.175 . . . . 72.41 111.75 168.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.1 t -70.37 -23.46 62.79 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 123.531 0.732 . . . . 72.23 111.259 -178.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -75.67 -8.85 57.84 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.194 0.598 . . . . 73.44 111.456 174.695 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.07 25.58 24.05 Favored Glycine 0 C--N 1.344 0.994 0 CA-C-N 116.367 -0.379 . . . . 73.42 112.715 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.52 ' HH ' ' HA ' ' A' ' 69' ' ' GLU . 10.5 m-85 -113.13 158.0 20.94 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.755 -0.831 . . . . 74.41 108.755 174.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -109.26 131.54 54.97 Favored 'General case' 0 C--O 1.245 0.852 0 N-CA-C 108.766 -0.828 . . . . 54.21 108.766 175.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.547 HG13 ' HE3' ' A' ' 94' ' ' LYS . 1.5 p -134.79 133.11 54.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.268 -0.878 . . . . 74.32 110.558 -174.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -97.11 144.38 27.02 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 124.204 1.002 . . . . 71.14 109.918 171.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.622 ' HD2' ' HD3' ' A' ' 94' ' ' LYS . 14.4 ptmm? -117.25 141.63 48.06 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 124.019 0.928 . . . . 74.23 109.046 176.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.446 HG22 ' HB3' ' A' ' 83' ' ' GLN . 29.1 m -147.63 165.05 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 124.718 1.207 . . . . 74.45 109.38 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.7 m -116.95 -50.33 2.59 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.664 0.745 . . . . 72.23 109.473 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -94.08 160.29 14.78 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 114.346 -1.297 . . . . 65.23 110.49 -170.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -53.05 -53.64 47.27 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.451 1.5 . . . . 73.14 112.029 175.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -60.55 -36.76 79.22 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 123.943 0.777 . . . . 64.33 112.076 -173.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.47 -45.05 81.0 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.126 0.57 . . . . 64.0 109.997 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.04 -49.47 75.87 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.855 0.862 . . . . 75.1 111.788 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.8 mt -58.88 -45.02 91.17 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.207 1.003 . . . . 73.41 111.06 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 61.1 tttm -63.58 -44.94 92.6 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 114.476 -1.238 . . . . 71.32 110.169 -175.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 34.6 mt -72.89 -27.16 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.417 0.687 . . . . 75.14 112.564 -174.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 113' ' ' ALA . 73.9 t -54.18 -42.06 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 CA-C-O 121.4 0.619 . . . . 75.31 109.944 168.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -82.89 -37.21 24.58 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.461 1.105 . . . . 72.03 111.952 -178.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 24.9 mm-40 -57.73 -46.52 84.34 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.292 0.637 . . . . 61.13 109.552 176.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -43.94 -42.12 5.7 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 125.377 1.471 . . . . 73.22 112.322 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.9 mtt -62.5 -19.19 63.34 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 114.793 -1.094 . . . . 74.11 113.267 -172.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 . . . . . 0 N--CA 1.489 1.503 0 CA-C-N 118.24 0.473 . . . . 75.51 110.421 164.054 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 121.75 0.786 . . . . 72.44 111.619 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -113.6 149.64 34.24 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-N 114.27 -1.332 . . . . 75.45 108.449 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.94 121.82 12.0 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.721 -0.474 . . . . 74.52 109.721 -176.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 tt -118.55 137.46 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 109.552 -0.536 . . . . 73.53 109.552 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 67' ' ' MET . 4.6 mp -116.34 132.0 56.79 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 107.832 -1.174 . . . . 74.53 107.832 174.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.524 HG13 HD21 ' A' ' 81' ' ' LEU . 2.2 mp -110.92 135.48 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 107.94 -1.133 . . . . 64.5 107.94 174.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.504 ' HB2' HD12 ' A' ' 64' ' ' LEU . 27.0 t-20 -116.54 109.01 16.7 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 107.101 -1.444 . . . . 73.21 107.101 168.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.565 HG23 HG12 ' A' ' 15' ' ' ILE . 1.2 t -125.64 118.66 26.15 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.511 -0.922 . . . . 74.41 108.511 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -94.79 10.77 33.9 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.907 -1.042 . . . . 75.24 110.202 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.477 ' O ' HG13 ' A' ' 15' ' ' ILE . 59.3 t-20 -108.43 119.63 40.07 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.702 1.201 . . . . 75.44 108.909 178.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -55.28 -56.6 18.2 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.667 1.187 . . . . 72.33 112.181 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -64.27 -32.43 74.02 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 115.323 -0.853 . . . . 65.32 110.651 -175.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.562 HD11 ' HB3' ' A' ' 110' ' ' ASP . 53.7 tp -69.99 -38.94 76.16 Favored 'General case' 0 C--N 1.362 1.138 0 CA-C-O 118.489 -0.767 . . . . 72.31 110.953 -179.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.565 HG12 HG23 ' A' ' 9' ' ' THR . 40.0 mt -51.57 -47.76 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 N-CA-C 109.066 -0.716 . . . . 63.23 109.066 176.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 52.9 mttm -59.47 -50.89 72.16 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.334 -1.303 . . . . 72.0 110.786 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.544 ' HE2' HD13 ' A' ' 114' ' ' LEU . 57.7 mtpt -58.11 -45.15 87.74 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.349 1.059 . . . . 72.22 111.697 -176.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.553 ' O ' HG22 ' A' ' 22' ' ' VAL . 75.6 mt -58.84 -53.56 45.82 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 O-C-N 124.369 1.043 . . . . 72.42 109.292 178.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 53.6 mtmt -56.69 -37.23 70.58 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 124.053 0.846 . . . . 70.44 112.156 -177.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 14.6 mmmm -66.87 -38.74 86.9 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 123.688 0.617 . . . . 74.22 111.039 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 25.0 mm-40 -62.61 -46.6 87.51 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 123.452 0.47 . . . . 74.44 110.212 173.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.553 HG22 ' O ' ' A' ' 18' ' ' ILE . 58.1 t -63.26 -36.6 76.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.643 1.177 . . . . 75.33 111.547 -174.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.09 -39.67 90.19 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.81 0.844 . . . . 74.03 110.441 174.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -67.97 -26.7 66.06 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.563 0.745 . . . . 73.41 111.385 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 10.2 mm-40 -91.78 -10.2 40.83 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.111 0.565 . . . . 74.15 111.283 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.4 18.1 63.02 Favored Glycine 0 C--N 1.353 1.514 0 N-CA-C 114.548 0.579 . . . . 71.12 114.548 172.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.493 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 2.4 m-85 -88.02 156.56 19.25 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.452 0.701 . . . . 75.53 110.215 178.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -78.72 115.43 18.41 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 109.214 -0.662 . . . . 71.54 109.214 175.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.2 t -85.77 117.27 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 122.782 0.433 . . . . 74.24 110.891 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.477 ' HB2' ' HA ' ' A' ' 56' ' ' ILE . 7.1 mpt_? -99.19 122.87 42.97 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.113 0.565 . . . . 75.43 109.515 169.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -93.31 114.19 26.58 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 106.657 -1.609 . . . . 64.13 106.657 155.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.453 HG11 HD12 ' A' ' 63' ' ' LEU . 84.0 t -116.4 118.01 57.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 107.282 -1.377 . . . . 72.23 107.282 173.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -117.09 -18.04 10.15 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.516 1.126 . . . . 75.23 108.574 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -132.49 152.25 51.61 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.202 1.001 . . . . 63.2 109.685 -172.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.8 p -66.1 -22.07 66.38 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.297 1.039 . . . . 71.15 112.957 -175.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.06 -37.25 69.69 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.234 0.613 . . . . 72.32 109.562 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -67.9 -37.27 81.51 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.154 -0.93 . . . . 75.11 111.771 -173.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.445 ' HB3' HG12 ' A' ' 32' ' ' VAL . 4.0 pp -71.74 -45.68 60.98 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 123.22 0.325 . . . . 74.11 110.639 -179.173 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 18.2 ptpt -70.18 -28.31 65.21 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 111.486 0.18 . . . . 74.1 111.486 -172.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -80.28 -30.75 38.35 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 122.636 0.375 . . . . 74.44 111.726 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -85.5 -24.26 27.42 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 117.831 0.287 . . . . 75.32 111.338 176.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.543 ' SD ' HD12 ' A' ' 45' ' ' LEU . 13.7 mmt -65.31 -21.61 66.73 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.283 0.633 . . . . 74.24 110.997 171.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 95.7 mttt -69.2 -39.89 78.36 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.549 0.74 . . . . 71.33 110.979 172.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -56.16 -40.82 74.45 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.438 0.695 . . . . 73.24 110.273 174.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.543 HD12 ' SD ' ' A' ' 42' ' ' MET . 61.1 mt -68.66 -44.44 74.08 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.292 -1.322 . . . . 73.03 110.519 177.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.65 -28.25 68.96 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.643 0.777 . . . . 72.31 112.328 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -81.1 -53.26 6.55 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.872 0.469 . . . . 60.31 111.5 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -89.43 137.06 32.66 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.922 0.489 . . . . 71.22 110.773 -174.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -74.46 -64.75 0.96 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.003 0.814 . . . . 75.42 112.308 -168.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -147.48 95.14 2.48 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.255 -0.646 . . . . 74.41 109.255 -176.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -122.29 -176.19 3.3 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.203 -1.036 . . . . 73.51 108.203 171.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -52.12 140.28 21.24 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.545 0.738 . . . . 74.0 111.864 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 148.52 47.74 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.304 0.573 . . . . 74.55 111.421 -176.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.4 mp -109.99 146.46 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 114.648 -1.16 . . . . 70.54 109.089 -169.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.528 HD22 HG21 ' A' ' 22' ' ' VAL . 6.4 tt -113.13 118.46 34.78 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.613 -0.884 . . . . 71.31 108.613 175.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.487 HG23 ' SD ' ' A' ' 67' ' ' MET . 20.0 mm -97.92 137.14 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 108.211 -1.033 . . . . 74.42 108.211 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.463 HG21 HG23 ' A' ' 15' ' ' ILE . 61.1 mt -116.57 133.43 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 107.339 -1.356 . . . . 71.15 107.339 165.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.511 ' HB2' ' HE2' ' A' ' 67' ' ' MET . 47.1 t -137.26 123.43 20.46 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 108.355 -0.98 . . . . 71.22 108.355 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -70.11 -35.32 74.03 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 124.084 0.865 . . . . 75.54 110.224 -178.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.418 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 27.1 t70 -99.3 150.14 22.41 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.081 0.953 . . . . 73.24 112.207 -173.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -78.71 -37.88 40.42 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.339 1.056 . . . . 65.21 111.764 -176.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -66.97 -32.53 73.83 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.171 0.588 . . . . 74.14 109.942 -176.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.453 HD12 HG11 ' A' ' 32' ' ' VAL . 57.4 mt -65.77 -43.0 90.16 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 124.088 0.867 . . . . 71.25 110.188 177.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.504 HD12 ' HB2' ' A' ' 8' ' ' ASN . 88.7 mt -53.61 -52.05 61.09 Favored 'General case' 0 C--N 1.364 1.207 0 O-C-N 124.256 0.972 . . . . 73.33 110.017 177.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -56.82 -45.41 82.3 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.665 1.228 . . . . 75.23 111.232 -175.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -56.16 -50.19 71.85 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 123.822 0.701 . . . . 74.02 111.239 176.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.511 ' HE2' ' HB2' ' A' ' 58' ' ' SER . 33.5 mtt -61.68 -49.45 76.47 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 115.605 -0.725 . . . . 75.3 111.29 -178.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 79.9 mt -53.12 -38.01 62.26 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.959 0.904 . . . . 74.14 111.286 -176.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -76.51 -34.5 58.59 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.925 -1.034 . . . . 74.13 112.149 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.32 -52.98 33.83 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.739 0.416 . . . . 73.54 110.339 174.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.479 HG22 ' HB2' ' A' ' 76' ' ' TYR . 61.3 mt -56.8 -30.5 33.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 125.66 1.584 . . . . 73.12 111.289 178.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.3 t -55.53 -51.84 65.68 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.014 0.925 . . . . 73.3 110.888 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.86 -6.78 57.93 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 112.212 0.449 . . . . 74.34 112.212 176.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 71' ' ' ILE . 80.2 mt -76.05 -21.42 56.82 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.267 -0.642 . . . . 72.54 109.267 170.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.17 4.09 74.96 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-N 115.909 -0.587 . . . . 65.02 113.957 173.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.479 ' HB2' HG22 ' A' ' 71' ' ' ILE . 8.5 m-30 -80.95 159.96 24.77 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 117.078 0.439 . . . . 74.25 110.455 -176.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.582 ' HB2' ' HZ1' ' A' ' 77' ' ' LYS . 4.5 ttmp? -71.05 115.62 10.4 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 108.362 -0.977 . . . . 74.03 108.362 174.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.3 t -88.51 106.5 16.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 N-CA-C 108.579 -0.897 . . . . 73.3 108.579 -174.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -114.66 137.97 51.26 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 106.992 -1.484 . . . . 75.33 106.992 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.465 HD21 HD11 ' A' ' 68' ' ' LEU . 51.7 tp -134.35 148.03 50.64 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 108.02 -1.104 . . . . 74.41 108.02 -177.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.524 HD21 HG13 ' A' ' 7' ' ' ILE . 43.4 tp -142.93 141.28 31.44 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 106.806 -1.554 . . . . 74.13 106.806 177.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' A' ' 90' ' ' LEU . 1.1 pp -147.24 146.38 29.77 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.849 0.46 . . . . 75.41 110.801 176.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.63 140.03 23.4 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 124.657 1.183 . . . . 75.01 108.137 176.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.462 ' N ' HD12 ' A' ' 90' ' ' LEU . 23.2 t70 -164.76 165.63 20.54 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.34 0.656 . . . . 74.1 110.166 -179.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -57.53 -55.18 38.18 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.614 1.565 . . . . 74.42 110.768 170.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.06 92.55 8.32 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 108.584 -0.895 . . . . 72.34 108.584 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -80.11 -6.55 57.88 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 115.785 -0.643 . . . . 75.05 111.354 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -72.91 -27.88 62.14 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.723 -0.611 . . . . 73.4 110.516 176.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -74.93 -37.06 62.11 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.971 0.508 . . . . 63.44 110.427 169.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.582 ' HB3' HD12 ' A' ' 82' ' ' LEU . 75.2 mt -64.9 -42.31 94.86 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.255 0.622 . . . . 70.14 112.497 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.05 -33.11 71.53 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.739 0.416 . . . . 72.44 110.712 -178.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -63.95 -47.75 79.23 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.701 1.2 . . . . 70.41 110.749 175.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.404 ' O ' HG12 ' A' ' 97' ' ' ILE . 60.4 t80 -65.78 -48.06 73.05 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.013 0.925 . . . . 74.32 110.073 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.477 ' HG3' HG21 ' A' ' 104' ' ' VAL . 19.7 ttpt -56.99 -53.35 59.06 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.844 1.258 . . . . 75.34 112.391 -174.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -61.47 -28.95 69.65 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.905 0.706 . . . . 74.23 112.905 -173.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.441 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 33.3 mmtp -72.0 -37.49 69.82 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.657 -0.701 . . . . 74.24 110.207 176.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 93' ' ' PHE . 45.0 mm -73.36 -35.51 46.41 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.42 0 C-N-CA 124.169 0.988 . . . . 64.53 111.913 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -55.05 -49.45 71.56 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.483 0.713 . . . . 74.44 111.693 176.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 91.9 p -65.2 -19.58 66.04 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.005 -0.998 . . . . 64.55 112.319 -177.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 75.1 mm-40 -76.97 -16.73 59.25 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.284 0.634 . . . . 74.15 111.52 177.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.96 9.67 48.18 Favored Glycine 0 C--N 1.347 1.183 0 O-C-N 123.66 0.6 . . . . 72.11 112.967 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -95.5 140.87 29.73 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.214 0.606 . . . . 74.44 109.848 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -78.15 126.15 30.39 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.758 -0.83 . . . . 75.14 108.758 173.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.477 HG21 ' HG3' ' A' ' 94' ' ' LYS . 2.1 p -138.95 120.04 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 123.063 0.545 . . . . 71.34 110.464 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -100.31 123.28 44.35 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 123.098 0.559 . . . . 75.2 109.504 -178.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.49 ' HA ' HD13 ' A' ' 82' ' ' LEU . 23.0 ttpp -102.13 121.46 42.26 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 108.839 -0.801 . . . . 75.21 108.839 176.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 31.0 m -133.77 163.35 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.559 0.744 . . . . 63.33 109.123 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 21.2 m -109.49 -52.12 2.8 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 123.763 0.825 . . . . 72.43 109.247 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.534 ' HB2' ' HG2' ' A' ' 112' ' ' GLU . 7.9 m-20 -74.26 143.18 45.18 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.227 -0.897 . . . . 72.41 110.792 -173.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.562 ' HB3' HD11 ' A' ' 14' ' ' LEU . 41.7 m-20 -62.65 -35.91 81.16 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.105 -1.407 . . . . 72.03 112.085 177.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.0 -33.61 73.95 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.637 0.775 . . . . 65.31 111.368 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' A' ' 109' ' ' ASP . 12.8 mm-40 -69.7 -38.64 77.04 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 122.884 0.474 . . . . 74.41 109.935 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.87 -45.57 88.85 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.722 0.639 . . . . 73.11 111.367 176.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.544 HD13 ' HE2' ' A' ' 17' ' ' LYS . 89.7 mt -61.49 -38.07 85.98 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.506 0.722 . . . . 72.11 110.83 176.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.7 tmmt? -65.34 -39.21 92.1 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.817 0.847 . . . . 65.01 110.865 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.501 ' HA ' ' HG2' ' A' ' 119' ' ' GLU . 45.4 mm -67.35 -38.35 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 O-C-N 123.571 0.544 . . . . 74.11 110.452 177.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 67.7 t -60.72 -45.84 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.481 0.712 . . . . 75.25 110.342 174.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.52 -48.97 65.51 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.466 0.706 . . . . 71.31 111.466 -177.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' A' ' 116' ' ' ILE . 11.5 pt-20 -65.62 -26.75 67.96 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 119.205 -0.426 . . . . 64.54 111.487 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -58.83 -35.03 72.23 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 118.156 0.435 . . . . 75.13 110.582 173.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.493 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 14.8 mmt -60.58 -29.62 69.3 Favored 'General case' 0 CA--C 1.558 1.25 0 C-N-CA 122.76 0.424 . . . . 73.24 111.686 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 4.7 pt20 . . . . . 0 N--CA 1.484 1.261 0 C-N-CA 123.125 0.57 . . . . 73.44 112.102 177.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.9 tttt . . . . . 0 C--O 1.242 0.675 0 CA-C-O 121.249 0.547 . . . . 73.14 110.11 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 2.2 mp0 -119.01 154.7 32.66 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.425 1.09 . . . . 55.4 108.623 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -118.39 112.58 20.18 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.575 -0.898 . . . . 75.5 108.575 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.439 HG22 ' HG ' ' A' ' 55' ' ' LEU . 7.4 tt -100.38 124.62 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 109.19 -0.67 . . . . 73.13 109.19 177.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.412 HD21 ' HE2' ' A' ' 67' ' ' MET . 5.8 mp -107.17 122.34 46.31 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.657 -0.868 . . . . 74.31 108.657 177.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.629 HG21 HD13 ' A' ' 18' ' ' ILE . 2.5 mp -101.15 129.45 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 108.195 -1.039 . . . . 75.32 108.195 174.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.563 ' HB2' HD11 ' A' ' 64' ' ' LEU . 7.1 t-20 -106.72 115.54 30.37 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.15 -1.055 . . . . 64.11 108.15 170.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.526 HG23 HG12 ' A' ' 15' ' ' ILE . 1.8 t -139.03 112.11 7.97 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 123.745 0.653 . . . . 75.5 109.408 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -84.99 -18.41 34.55 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 115.242 -0.89 . . . . 74.32 109.947 173.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.469 ' O ' HG13 ' A' ' 15' ' ' ILE . 48.7 t-20 -72.63 105.26 4.18 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 108.516 -0.92 . . . . 74.13 108.516 178.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -54.95 -46.44 74.99 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.721 1.208 . . . . 73.3 111.894 -172.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -65.65 -40.86 92.91 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 114.877 -1.056 . . . . 71.45 110.731 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 110' ' ' ASP . 39.3 tp -64.18 -37.41 87.35 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.462 0.705 . . . . 74.3 111.144 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.526 HG12 HG23 ' A' ' 9' ' ' THR . 14.2 mt -54.89 -47.23 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 CA-C-O 121.148 0.499 . . . . 74.42 109.878 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -59.4 -46.98 87.19 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 114.595 -1.184 . . . . 74.31 111.295 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -64.01 -42.06 97.26 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.936 0.894 . . . . 74.42 111.647 -176.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.629 HD13 HG21 ' A' ' 7' ' ' ILE . 77.8 mt -58.93 -50.54 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.326 0.651 . . . . 74.15 109.398 177.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.518 ' HE3' HG22 ' A' ' 15' ' ' ILE . 98.1 mttt -52.53 -39.46 61.4 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 124.109 0.881 . . . . 74.44 112.444 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -64.76 -46.51 81.85 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.4 0.437 . . . . 71.33 110.258 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -62.25 -37.83 86.92 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.544 0.737 . . . . 63.12 111.977 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 18' ' ' ILE . 58.9 t -65.23 -36.3 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.302 1.041 . . . . 74.45 110.653 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.03 -42.15 94.61 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.865 -0.607 . . . . 73.44 110.0 174.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -67.4 -30.23 69.95 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.109 0.564 . . . . 73.3 111.164 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -78.92 -21.11 47.82 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.592 0.757 . . . . 72.41 111.013 177.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.06 22.6 54.58 Favored Glycine 0 C--N 1.345 1.063 0 CA-C-N 116.497 -0.32 . . . . 65.12 113.025 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.474 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 3.4 m-85 -97.0 158.51 15.39 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.919 0.888 . . . . 75.14 109.707 175.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.511 ' HB2' HG21 ' A' ' 54' ' ' ILE . 1.4 mp0 -82.67 112.66 19.74 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.784 -0.821 . . . . 73.41 108.784 -177.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.3 t -70.4 99.82 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 109.185 -0.672 . . . . 75.53 109.185 173.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.519 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 0.7 OUTLIER -119.97 107.16 12.77 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 107.631 -1.248 . . . . 73.24 107.631 178.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -123.88 117.1 24.08 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 121.466 0.651 . . . . 72.43 111.906 -170.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.627 HG23 ' SD ' ' A' ' 67' ' ' MET . 54.7 t -79.5 129.88 36.91 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 C-N-CA 125.408 1.483 . . . . 71.01 110.616 175.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -133.72 15.46 3.99 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.126 0.57 . . . . 75.22 110.434 173.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -161.01 152.83 19.64 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.898 0.879 . . . . 74.41 110.476 -176.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.9 m -65.69 -35.74 81.63 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.476 1.111 . . . . 75.25 113.03 -174.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.495 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 5.2 m-20 -83.15 -19.24 37.01 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.804 0.442 . . . . 75.21 111.177 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -72.61 -36.68 68.13 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.384 -0.371 . . . . 74.45 111.077 174.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.442 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.9 pp -64.66 -41.53 96.04 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 118.147 0.431 . . . . 70.03 111.023 -174.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.495 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 17.2 ptpt -69.83 -36.57 75.7 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.768 -0.651 . . . . 75.4 111.19 -173.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -75.47 -26.11 57.94 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.177 0.591 . . . . 74.54 110.935 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -77.66 -32.64 53.32 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.995 0.918 . . . . 71.24 111.054 174.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.412 ' HG3' HD11 ' A' ' 70' ' ' LEU . 34.6 mmt -72.27 -28.83 63.37 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.013 0.525 . . . . 63.43 111.329 175.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 98.2 mttt -62.89 -37.38 86.71 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.75 0.42 . . . . 74.24 110.606 174.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -61.64 -27.4 68.64 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.974 0.91 . . . . 73.44 113.016 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.425 ' HB3' ' HE2' ' A' ' 76' ' ' TYR . 76.5 mt -73.01 -34.83 66.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 122.821 0.448 . . . . 74.33 110.726 175.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.61 -33.13 53.85 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.722 0.809 . . . . 72.42 111.351 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -77.92 -48.25 16.78 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.022 0.929 . . . . 72.43 110.867 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -104.84 116.3 31.77 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.046 0.938 . . . . 64.12 108.525 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -101.34 -66.19 0.93 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.086 0.554 . . . . 72.43 110.678 -175.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -91.67 98.11 11.44 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.642 0.777 . . . . 74.33 111.061 -168.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.505 ' CZ ' HD12 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -171.06 -179.72 2.82 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.323 1.049 . . . . 75.31 109.939 173.064 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.36 144.11 56.75 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 121.194 0.521 . . . . 74.22 110.119 176.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 40.1 pttt -67.01 157.24 33.96 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.908 -1.042 . . . . 75.41 112.667 -174.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.511 HG21 ' HB2' ' A' ' 28' ' ' GLN . 2.9 mp -109.28 143.04 20.21 Favored 'Isoleucine or valine' 0 C--O 1.245 0.821 0 CA-C-N 114.693 -1.139 . . . . 54.45 108.715 -168.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.498 HD11 HG21 ' A' ' 22' ' ' VAL . 9.0 tt -104.78 117.03 33.05 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.462 -0.94 . . . . 74.44 108.462 174.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.519 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 18.4 mm -97.23 137.06 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 123.668 0.787 . . . . 70.14 109.078 177.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 56.0 mt -116.49 147.98 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 107.64 -1.245 . . . . 73.44 107.64 167.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.5 t -146.02 146.14 30.86 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 123.765 0.826 . . . . 73.13 109.019 174.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -94.59 -5.07 46.65 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.704 -0.68 . . . . 71.24 112.242 -175.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -144.36 153.37 41.9 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.16 0.505 . . . . 73.2 111.927 -176.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.44 ' HA ' HD13 ' A' ' 64' ' ' LEU . 47.2 mmtm -68.7 -32.56 72.45 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.622 1.169 . . . . 75.21 112.552 -177.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.02 -35.51 80.08 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.957 0.503 . . . . 73.13 110.682 -177.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.505 HD13 HG12 ' A' ' 32' ' ' VAL . 49.3 mt -73.56 -42.54 61.52 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-N 115.426 -0.806 . . . . 74.51 109.319 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 8' ' ' ASN . 95.4 mt -52.79 -57.34 10.51 Favored 'General case' 0 C--N 1.361 1.072 0 O-C-N 124.192 0.933 . . . . 74.44 110.041 173.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -49.77 -48.91 50.13 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.057 1.343 . . . . 74.41 111.467 -171.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -59.86 -54.63 43.98 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.085 -0.962 . . . . 51.42 112.063 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.627 ' SD ' HG23 ' A' ' 32' ' ' VAL . 77.9 mtm -61.81 -46.74 88.19 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 123.505 0.503 . . . . 72.33 111.913 -176.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 97' ' ' ILE . 83.9 mt -50.15 -42.75 51.42 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.799 1.24 . . . . 74.01 111.494 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -72.49 -44.49 62.2 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.36 -0.836 . . . . 74.33 111.402 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.412 HD11 ' HG3' ' A' ' 42' ' ' MET . 88.6 mt -61.94 -48.76 78.99 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.979 0.512 . . . . 73.34 111.387 -177.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 80.3 mt -58.17 -33.06 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 C-N-CA 125.014 1.325 . . . . 74.41 111.759 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -60.7 -50.4 73.64 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.595 0.758 . . . . 73.03 111.056 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.9 -6.77 58.68 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 112.187 0.44 . . . . 73.35 112.187 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.403 HD12 ' HB2' ' A' ' 45' ' ' LEU . 83.5 mt -73.61 -26.66 60.9 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 109.404 -0.591 . . . . 74.11 109.404 165.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.26 59.93 1.52 Allowed Glycine 0 C--N 1.347 1.146 0 CA-C-N 115.967 -0.56 . . . . 62.35 111.875 173.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.425 ' HE2' ' HB3' ' A' ' 45' ' ' LEU . 39.6 m-85 -131.29 161.33 32.56 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.167 0.987 . . . . 74.11 109.226 173.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -80.62 112.86 18.38 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 108.166 -1.05 . . . . 73.24 108.166 174.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.3 t -89.66 118.5 35.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 115.782 -0.645 . . . . 73.53 109.924 -170.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -113.06 143.55 44.14 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.052 -1.092 . . . . 73.23 108.052 175.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.1 tp -135.34 147.79 49.24 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.351 1.06 . . . . 75.03 108.716 177.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.5 tp -147.16 114.06 6.12 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 107.17 -1.418 . . . . 74.12 107.17 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.467 HD11 ' HA ' ' A' ' 106' ' ' LYS . 1.0 OUTLIER -119.73 145.92 46.11 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.003 0.521 . . . . 72.24 110.89 -176.58 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.07 143.28 40.41 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 123.192 0.597 . . . . 71.51 109.867 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -168.1 162.06 12.88 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.816 0.846 . . . . 74.11 108.958 168.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -68.22 -30.73 69.86 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 122.948 0.499 . . . . 75.13 111.117 176.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -88.41 120.0 29.37 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 107.675 -1.231 . . . . 75.15 107.675 170.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.587 ' HG2' ' HD3' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -89.3 -25.1 21.83 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.814 1.246 . . . . 75.12 111.111 -174.349 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.454 ' O ' ' HG3' ' A' ' 92' ' ' GLU . 17.0 m120 -80.98 -30.43 35.08 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 112.735 0.643 . . . . 74.51 112.735 -172.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -69.3 -32.99 72.5 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.172 0.511 . . . . 74.22 109.788 172.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.458 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.8 mt -64.66 -38.06 89.7 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.065 -0.97 . . . . 70.31 111.428 177.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.469 ' HB3' ' NZ ' ' A' ' 106' ' ' LYS . 11.6 pt-20 -75.52 -29.88 59.6 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 123.225 0.328 . . . . 72.32 111.502 -178.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 88' ' ' ASN . 51.1 mt-10 -67.49 -40.98 85.23 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 123.02 0.528 . . . . 70.34 110.716 178.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' ' 97' ' ' ILE . 65.6 t80 -69.48 -43.75 72.54 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.134 -0.485 . . . . 74.32 109.843 172.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -62.08 -44.24 97.09 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.701 0.8 . . . . 72.23 112.613 -172.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.02 -32.08 70.55 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.089 0.556 . . . . 70.35 111.439 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -64.56 -41.81 96.08 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.748 0.819 . . . . 74.54 110.467 173.533 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 93' ' ' PHE . 27.4 mm -74.04 -40.84 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 124.105 0.962 . . . . 74.35 111.053 -175.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.39 -31.19 71.82 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.644 1.178 . . . . 74.12 111.222 171.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.7 t -67.7 -34.26 76.53 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.207 0.603 . . . . 61.11 110.155 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 86.5 mm-40 -77.54 -21.34 52.76 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.339 0.656 . . . . 75.32 110.83 175.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.02 6.78 61.57 Favored Glycine 0 C--N 1.344 1.008 0 CA-C-O 119.648 -0.529 . . . . 54.33 113.718 175.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.458 ' HB2' HG21 ' A' ' 97' ' ' ILE . 8.9 m-85 -75.17 142.21 43.55 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 109.335 -0.617 . . . . 74.43 109.335 -178.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -74.13 88.08 1.93 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.356 0.663 . . . . 73.31 109.761 -178.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.3 p -101.97 139.62 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 123.448 0.699 . . . . 75.51 110.451 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.401 ' HG3' HG21 ' A' ' 116' ' ' ILE . 6.2 mmp_? -118.64 144.03 46.43 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 125.256 1.422 . . . . 73.43 108.812 175.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.587 ' HD3' ' HG2' ' A' ' 87' ' ' GLU . 30.6 ttmt -115.75 138.24 51.32 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.21 0.604 . . . . 74.53 109.581 174.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.8 m -143.57 -178.26 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.829 0 C-N-CA 124.329 1.051 . . . . 71.2 108.87 172.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 52.3 m -133.79 -48.21 0.81 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.361 0.664 . . . . 75.2 109.782 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -84.21 156.26 22.12 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.634 -0.712 . . . . 74.55 111.42 -172.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.472 ' HA ' HD23 ' A' ' 14' ' ' LEU . 8.7 t70 -51.85 -53.73 37.1 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.358 1.463 . . . . 64.53 111.267 176.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 11.0 pt-20 -62.94 -38.79 92.43 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.585 0.553 . . . . 74.44 111.116 -173.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.91 -36.97 85.69 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.525 0.73 . . . . 72.33 111.205 -175.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.97 81.03 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.742 -0.663 . . . . 73.42 110.663 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.36 -33.53 75.72 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.266 0.626 . . . . 73.23 111.375 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 111' ' ' GLU . 68.1 mttm -60.08 -52.23 66.24 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.474 0.71 . . . . 74.13 110.473 177.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.412 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 25.3 mt -74.82 -24.45 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 O-C-N 123.912 0.758 . . . . 74.43 112.052 -172.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 62.1 t -53.51 -43.74 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 N-CA-C 109.641 -0.503 . . . . 75.02 109.641 166.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -76.74 -38.26 54.54 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.935 -0.575 . . . . 75.32 111.562 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.412 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 17.5 mm-40 -64.01 -25.76 68.27 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.78 0.432 . . . . 75.54 112.121 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.447 ' HD2' ' SD ' ' A' ' 121' ' ' MET . 65.7 t80 -56.92 -47.61 80.19 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.849 0.46 . . . . 75.2 110.648 169.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.474 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 13.3 mmt -56.5 -29.49 61.88 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.725 1.265 . . . . 73.05 112.041 -169.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 . . . . . 0 CA--C 1.556 1.192 0 C-N-CA 123.058 0.543 . . . . 74.34 111.668 173.86 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 80.3 tttt . . . . . 0 C--O 1.238 0.47 0 N-CA-C 108.31 -0.996 . . . . 75.24 108.31 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.444 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 3.4 mp0 -88.89 139.86 30.02 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 114.683 -1.144 . . . . 65.53 109.887 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -119.52 109.9 16.26 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 107.382 -1.34 . . . . 74.53 107.382 175.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.418 HG21 ' HG ' ' A' ' 55' ' ' LEU . 8.7 tt -105.59 131.3 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 C-N-CA 123.576 0.75 . . . . 74.53 109.119 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -111.74 119.87 40.08 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 107.999 -1.111 . . . . 75.32 107.999 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.486 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 2.1 mp -99.2 126.43 52.48 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.518 0 N-CA-C 108.284 -1.006 . . . . 70.21 108.284 176.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.554 ' HB2' HD11 ' A' ' 64' ' ' LEU . 6.6 t-20 -105.52 116.65 32.3 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 108.037 -1.098 . . . . 74.11 108.037 173.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.543 HG22 HG12 ' A' ' 15' ' ' ILE . 1.6 t -145.72 122.1 10.96 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.075 0.55 . . . . 73.11 110.02 175.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -100.99 -2.42 31.77 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.749 0.82 . . . . 63.4 110.403 172.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.481 ' O ' HG13 ' A' ' 15' ' ' ILE . 46.5 t-20 -78.07 98.38 5.74 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 107.86 -1.163 . . . . 71.23 107.86 173.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -47.06 -43.24 19.84 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 125.747 1.619 . . . . 42.44 113.119 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.46 -55.75 24.71 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.213 -0.903 . . . . 73.15 110.982 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.46 ' O ' HG13 ' A' ' 18' ' ' ILE . 52.0 tp -58.37 -36.41 73.45 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.231 0.957 . . . . 72.41 112.211 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.543 HG12 HG22 ' A' ' 9' ' ' THR . 32.9 mt -55.13 -50.4 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 CA-C-O 121.132 0.492 . . . . 74.33 110.077 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.461 ' HZ2' ' HB2' ' A' ' 16' ' ' LYS . 10.6 mtmp? -64.25 -38.77 92.24 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 114.732 -1.122 . . . . 74.15 111.242 -179.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -67.16 -39.51 86.51 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.446 0.698 . . . . 75.31 111.163 -178.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.49 ' O ' HG22 ' A' ' 22' ' ' VAL . 69.3 mt -62.94 -44.92 99.93 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 O-C-N 123.699 0.624 . . . . 75.34 109.318 176.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HE3' HG22 ' A' ' 15' ' ' ILE . 97.3 mttt -52.47 -48.84 65.63 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 123.799 0.687 . . . . 73.12 111.661 177.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -65.55 -36.87 85.05 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.324 0.65 . . . . 73.35 111.217 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 48.3 mm-40 -68.37 -38.5 81.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.736 0.814 . . . . 74.13 112.084 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 18' ' ' ILE . 89.2 t -72.15 -30.77 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.908 0.883 . . . . 73.42 110.476 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -65.72 -37.74 87.25 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.529 -0.76 . . . . 74.11 110.17 171.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -69.15 -34.73 75.46 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.235 0.614 . . . . 71.23 110.607 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 79.0 mm-40 -77.33 -16.87 58.71 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.948 0.499 . . . . 74.14 110.638 178.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.62 4.95 79.22 Favored Glycine 0 C--N 1.349 1.279 0 C-N-CA 122.888 0.28 . . . . 73.1 113.551 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.41 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 2.1 m-85 -86.96 155.42 20.2 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.658 0.783 . . . . 71.4 109.4 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.74 118.05 23.09 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.782 -0.645 . . . . 74.13 109.73 -173.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.1 t -79.07 114.65 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 109.377 -0.601 . . . . 75.24 109.377 175.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.486 ' HD2' HG22 ' A' ' 54' ' ' ILE . 93.8 mtt-85 -124.68 105.58 9.43 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 108.186 -1.042 . . . . 75.31 108.186 168.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -99.49 134.92 41.66 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 121.351 0.596 . . . . 74.02 110.131 -177.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.478 HG12 ' HB3' ' A' ' 38' ' ' LEU . 78.0 t -109.24 120.64 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 124.659 1.184 . . . . 75.11 108.662 -175.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -107.56 -15.48 14.59 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.875 0.87 . . . . 75.54 110.743 -178.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -153.65 164.8 37.66 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.536 0.734 . . . . 74.41 109.86 -173.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.7 p -58.76 -31.27 68.19 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.823 0.849 . . . . 75.44 111.483 175.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -77.13 -21.0 54.84 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.597 -0.729 . . . . 74.32 110.121 -178.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 55.9 mm-40 -77.13 -38.38 52.19 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.94 -0.573 . . . . 72.42 112.069 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.509 ' O ' ' HG2' ' A' ' 42' ' ' MET . 4.0 pp -70.94 -39.59 72.55 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 119.022 0.828 . . . . 75.43 110.702 -177.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -60.92 -37.94 84.05 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.676 0.39 . . . . 72.44 111.578 -176.037 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 21.1 ptmt -74.41 -28.84 61.26 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.399 0.68 . . . . 72.44 110.994 -175.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 5.1 mm-40 -85.35 -27.84 25.61 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.588 0.755 . . . . 73.21 111.103 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.509 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 85.4 mmm -69.56 -30.71 68.57 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 122.754 0.421 . . . . 71.42 110.165 173.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 23.5 mtpp -58.08 -49.09 78.12 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 115.3 -0.864 . . . . 71.3 110.493 172.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.449 ' HG3' ' NH1' ' A' ' 30' ' ' ARG . 75.9 mmtt -56.45 -39.1 72.58 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.068 0.947 . . . . 65.23 111.969 -177.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.2 mt -68.82 -34.72 75.98 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 114.933 -1.03 . . . . 71.31 110.976 178.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.69 -41.77 36.86 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.868 0.867 . . . . 75.11 111.738 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -77.32 -55.06 5.73 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.025 0.53 . . . . 74.41 111.368 -171.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -71.36 133.21 45.81 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.687 -0.688 . . . . 75.34 109.556 -177.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -104.4 -63.13 1.24 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.535 0.734 . . . . 73.4 110.623 -176.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -85.72 92.28 8.55 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.087 0.47 . . . . 73.13 110.265 -176.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -162.32 168.95 21.4 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.143 0.977 . . . . 73.44 110.024 174.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -81.25 -169.69 2.39 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.414 0.686 . . . . 72.13 110.655 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.444 ' HD3' ' HB2' ' A' ' 3' ' ' GLU . 13.1 ptpt -85.74 146.08 26.97 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.206 0.527 . . . . 75.34 110.068 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.486 HG22 ' HD2' ' A' ' 30' ' ' ARG . 3.3 mp -109.64 142.14 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.835 0.854 . . . . 74.12 109.285 -174.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.441 HD22 HG21 ' A' ' 22' ' ' VAL . 8.0 tt -97.47 117.15 31.08 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 123.397 0.679 . . . . 73.32 109.222 175.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.545 HG22 ' SD ' ' A' ' 67' ' ' MET . 31.6 mm -98.38 133.88 39.02 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 123.96 0.904 . . . . 72.23 109.054 178.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 56.8 mt -111.02 149.17 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 107.163 -1.421 . . . . 73.13 107.163 167.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.3 t -143.3 131.72 22.21 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.47 1.108 . . . . 73.11 108.238 174.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -94.18 17.35 12.78 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.047 0.939 . . . . 71.42 111.038 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -154.25 145.26 22.7 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.797 0.839 . . . . 73.1 110.216 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -82.72 -27.39 31.19 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.991 0.916 . . . . 73.23 112.679 -172.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -71.93 -32.15 67.06 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 109.181 -0.674 . . . . 75.42 109.181 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.446 HD13 HG11 ' A' ' 32' ' ' VAL . 68.2 mt -65.26 -37.64 87.84 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 115.218 -0.901 . . . . 74.34 110.431 175.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.554 HD11 ' HB2' ' A' ' 8' ' ' ASN . 89.9 mt -57.38 -56.38 22.6 Favored 'General case' 0 C--N 1.366 1.289 0 O-C-N 124.079 0.862 . . . . 73.23 109.813 175.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -47.77 -53.16 16.15 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.169 1.388 . . . . 75.23 111.836 -173.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -62.33 -50.7 70.58 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 124.445 1.091 . . . . 74.3 111.754 178.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.545 ' SD ' HG22 ' A' ' 56' ' ' ILE . 24.0 ttm -62.03 -40.28 95.16 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.093 0.957 . . . . 73.02 111.456 -173.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.442 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 76.9 mt -54.69 -42.81 71.87 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.982 1.313 . . . . 73.34 111.373 177.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -75.78 -30.09 58.99 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.024 -0.989 . . . . 70.02 111.221 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.58 -38.42 84.02 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.014 0.526 . . . . 75.31 110.619 174.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.427 HG12 ' HE1' ' A' ' 42' ' ' MET . 63.9 mt -72.16 -29.33 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 123.619 0.767 . . . . 73.53 110.071 176.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.8 t -68.02 -45.93 72.64 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.505 -0.771 . . . . 63.24 110.36 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -25.13 63.18 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.24 0.216 . . . . 75.11 111.341 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.86 -47.13 66.7 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 109.424 -0.584 . . . . 75.51 109.424 171.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.9 70.32 0.99 Allowed Glycine 0 C--N 1.344 1.01 0 CA-C-N 115.719 -0.673 . . . . 73.23 112.277 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -135.04 160.3 38.77 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.064 0.945 . . . . 73.22 109.443 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -73.15 115.09 12.07 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.367 -0.975 . . . . 71.1 108.367 171.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.2 t -97.18 115.67 37.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 123.408 0.683 . . . . 72.22 109.746 -173.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -104.65 143.09 33.55 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 107.666 -1.235 . . . . 75.11 107.666 172.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.524 HD11 HD12 ' A' ' 64' ' ' LEU . 61.4 tp -140.31 97.37 3.21 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.368 0.667 . . . . 74.31 109.625 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.486 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 40.7 tp -91.51 114.3 26.79 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 107.615 -1.254 . . . . 64.31 107.615 173.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 pp -120.81 146.97 45.98 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.35 0.523 . . . . 73.02 111.515 -175.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.412 ' HB3' HG22 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -147.22 157.73 43.7 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 123.988 0.915 . . . . 75.52 109.469 174.544 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -161.12 174.57 13.5 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 114.424 -1.262 . . . . 74.4 108.099 176.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -62.4 -28.43 69.78 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.076 1.35 . . . . 75.13 111.608 174.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -129.13 134.81 48.21 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.019 0.927 . . . . 74.04 111.11 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.513 ' HA ' HD13 ' A' ' 90' ' ' LEU . 34.0 tt0 -81.92 -16.29 51.05 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.595 1.158 . . . . 73.13 112.411 -174.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -62.15 -48.58 79.46 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 122.943 0.497 . . . . 72.2 110.782 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -70.17 -22.04 63.0 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.328 -0.851 . . . . 71.04 111.296 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 87' ' ' GLU . 90.7 mt -82.4 -38.63 23.82 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.017 0.927 . . . . 72.01 112.09 -179.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.04 -35.44 64.33 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 110.008 -0.367 . . . . 71.21 110.008 -176.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 16.3 pt-20 -74.61 -37.61 62.79 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 116.002 -0.545 . . . . 74.14 110.406 177.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.529 ' O ' HG12 ' A' ' 97' ' ' ILE . 12.4 t80 -62.45 -51.76 66.24 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 108.919 -0.771 . . . . 62.25 108.919 176.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -54.06 -47.43 71.66 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.196 0.998 . . . . 72.31 111.709 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -69.09 -20.18 64.07 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 112.359 0.503 . . . . 75.33 112.359 -173.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 70.5 mmtt -71.6 -47.86 51.94 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.737 0.78 . . . . 74.42 109.307 169.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 93' ' ' PHE . 33.3 mm -69.43 -27.02 32.65 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.096 0 CA-C-N 114.291 -1.322 . . . . 74.21 111.474 -173.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -53.75 -45.05 70.44 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.319 1.047 . . . . 74.21 111.156 167.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.2 t -72.99 -19.55 61.19 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.779 0.831 . . . . 73.4 111.455 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -79.7 -19.99 47.58 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.105 0.562 . . . . 62.42 110.861 173.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.65 24.55 42.03 Favored Glycine 0 C--N 1.351 1.394 0 CA-C-N 115.988 -0.551 . . . . 73.12 112.875 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.505 ' HB2' HG23 ' A' ' 97' ' ' ILE . 11.1 m-30 -97.28 148.07 23.5 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.875 0.47 . . . . 72.5 109.832 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -78.07 88.22 4.2 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.471 0.653 . . . . 75.52 109.702 177.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.413 HG13 ' HB ' ' A' ' 97' ' ' ILE . 2.8 p -105.77 121.31 57.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-O 121.618 0.723 . . . . 74.43 110.502 -176.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -109.92 138.06 46.83 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 124.592 1.157 . . . . 74.35 109.394 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -111.99 129.83 56.06 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 123.595 0.758 . . . . 75.25 110.359 -175.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.412 HG22 ' HB3' ' A' ' 83' ' ' GLN . 32.7 m -138.37 175.09 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 108.063 -1.088 . . . . 74.34 108.063 173.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.1 m -141.42 -39.8 0.39 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.159 0.584 . . . . 62.05 109.76 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.445 ' HB3' ' HG3' ' A' ' 112' ' ' GLU . 13.7 t70 -86.13 156.01 20.53 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.33 -0.85 . . . . 72.31 110.509 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -53.79 -53.94 45.22 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.591 1.556 . . . . 71.13 111.962 177.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 9.8 pt-20 -63.2 -39.39 94.51 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 115.648 -0.705 . . . . 73.25 110.899 -174.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.445 ' HG3' ' HB3' ' A' ' 109' ' ' ASP . 61.5 mt-10 -61.77 -36.22 80.42 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 123.932 0.893 . . . . 73.23 111.397 -176.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.11 -47.89 82.59 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.656 -0.702 . . . . 64.12 110.465 176.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 74.0 mt -69.29 -25.28 64.16 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.502 0.721 . . . . 73.03 111.327 -176.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 111' ' ' GLU . 29.7 mmmt -60.06 -54.85 41.04 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.469 0.708 . . . . 73.14 109.822 173.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.531 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 12.1 mt -77.75 -23.57 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 115.374 -0.83 . . . . 64.24 111.875 -173.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 113' ' ' ALA . 78.2 t -56.46 -47.12 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 N-CA-C 109.35 -0.611 . . . . 74.1 109.35 168.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -71.08 -42.36 69.48 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 116.296 -0.411 . . . . 73.12 111.201 177.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.531 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 40.2 mt-10 -57.67 -37.05 72.74 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.085 0.554 . . . . 74.33 111.697 177.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -56.74 -41.26 77.23 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.873 0.469 . . . . 72.22 110.679 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.41 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 14.6 mmt -62.08 -23.88 66.77 Favored 'General case' 0 CA--C 1.553 1.074 0 O-C-N 123.921 0.763 . . . . 75.23 111.886 -174.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 . . . . . 0 N--CA 1.489 1.49 0 C-N-CA 122.8 0.44 . . . . 75.53 111.998 173.178 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? . . . . . 0 N--CA 1.469 0.484 0 N-CA-C 106.686 -1.598 . . . . 74.24 106.686 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 1.9 mp0 -99.53 137.39 38.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.127 0.571 . . . . 72.12 110.007 -178.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.441 HD21 HG21 ' A' ' 71' ' ' ILE . 3.8 mm? -118.04 113.11 21.15 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.36 -1.348 . . . . 75.35 107.36 173.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 tt -103.27 118.6 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 108.73 -0.841 . . . . 74.34 108.73 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 6' ' ' LEU . 3.9 mp -102.26 118.81 37.68 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.682 -0.859 . . . . 75.21 108.682 -176.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.665 HG21 HD12 ' A' ' 18' ' ' ILE . 2.2 mp -100.44 121.53 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 107.855 -1.165 . . . . 72.0 107.855 176.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.527 ' HB2' HD12 ' A' ' 64' ' ' LEU . 3.8 t-20 -111.13 112.05 23.57 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.295 -0.631 . . . . 73.24 109.295 173.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.2 t -146.96 135.4 21.86 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.135 -0.691 . . . . 71.45 109.135 165.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -76.58 -23.17 53.5 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.391 0.676 . . . . 74.4 109.793 173.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -68.56 93.26 0.49 Allowed 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 108.583 -0.895 . . . . 74.35 108.583 -178.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -61.3 -30.86 70.75 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.301 1.04 . . . . 71.41 112.379 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.52 -42.5 99.55 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.997 0.919 . . . . 72.45 109.521 176.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.482 HD11 ' HB3' ' A' ' 110' ' ' ASP . 67.5 tp -69.7 -41.78 74.94 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 115.027 -0.988 . . . . 72.31 110.812 176.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.507 HG23 ' HE3' ' A' ' 19' ' ' LYS . 67.2 mt -53.23 -42.0 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 123.678 0.611 . . . . 75.25 110.087 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.582 ' HZ3' ' HB3' ' A' ' 16' ' ' LYS . 9.4 mtpm? -61.9 -42.7 99.39 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 124.221 0.95 . . . . 75.42 111.614 177.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -64.51 -43.09 95.19 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.911 0.484 . . . . 73.54 110.392 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.665 HD12 HG21 ' A' ' 7' ' ' ILE . 82.7 mt -61.9 -40.57 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 124.37 1.044 . . . . 75.34 109.587 178.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.649 ' HG2' HG11 ' A' ' 29' ' ' VAL . 98.9 mttt -53.79 -56.18 19.81 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 124.081 0.863 . . . . 74.13 109.493 175.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -70.82 -21.05 62.51 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 112.677 0.621 . . . . 74.54 112.677 -172.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -64.31 -58.58 6.12 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 108.966 -0.753 . . . . 71.12 108.966 167.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.438 HG11 ' HB2' ' A' ' 27' ' ' TYR . 90.4 t -68.13 -33.97 63.96 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 CA-C-N 114.068 -1.424 . . . . 70.54 111.845 -170.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.48 -40.34 92.99 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.972 0.909 . . . . 71.21 109.84 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.77 -22.22 46.72 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.398 0.679 . . . . 72.22 111.051 -179.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -87.89 -6.18 58.2 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.181 0.592 . . . . 74.21 111.369 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.0 6.43 66.98 Favored Glycine 0 C--N 1.348 1.202 0 N-CA-C 114.224 0.45 . . . . 72.42 114.224 170.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.438 ' HB2' HG11 ' A' ' 22' ' ' VAL . 2.4 m-85 -93.24 144.62 25.12 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.746 0.818 . . . . 75.03 109.301 177.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -76.86 133.15 39.4 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.581 -0.526 . . . . 74.14 109.581 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.649 HG11 ' HG2' ' A' ' 19' ' ' LYS . 20.1 t -96.1 108.84 21.78 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 N-CA-C 108.765 -0.828 . . . . 75.41 108.765 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.508 ' HB3' ' HA ' ' A' ' 56' ' ' ILE . 11.4 tpp180 -90.5 142.84 27.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.857 -1.164 . . . . 74.24 107.857 171.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -125.98 137.86 53.71 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.018 -0.734 . . . . 64.43 109.018 169.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.563 HG12 HD13 ' A' ' 63' ' ' LEU . 98.8 t -127.58 119.32 51.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 107.689 -1.226 . . . . 74.01 107.689 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -110.21 -16.6 13.72 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.134 0.974 . . . . 75.25 109.341 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -148.2 160.15 43.22 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.094 0.958 . . . . 64.43 109.472 -176.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m -59.64 -22.59 62.09 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.637 1.175 . . . . 64.23 112.694 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -68.88 -36.36 77.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.868 0.867 . . . . 75.15 110.41 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -80.83 -23.51 39.12 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 114.78 -1.1 . . . . 75.24 112.682 -169.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.477 ' HB3' HG13 ' A' ' 32' ' ' VAL . 4.5 pp -80.35 -47.27 14.73 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.39 0.138 . . . . 74.42 110.731 177.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -70.14 -25.6 63.54 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.937 0.495 . . . . 73.42 112.246 -171.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -71.72 -40.76 69.24 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 122.768 0.427 . . . . 74.24 111.138 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -85.44 -28.23 25.2 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 115.996 -0.547 . . . . 71.21 110.197 -177.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.41 ' SD ' HD12 ' A' ' 45' ' ' LEU . 11.2 mmt -63.38 -32.03 73.34 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.065 0.946 . . . . 74.3 111.358 174.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -64.16 -50.11 69.46 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 115.884 -0.598 . . . . 74.34 109.666 169.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -60.01 -28.28 67.58 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.738 0.815 . . . . 74.01 112.371 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.608 ' HA ' ' HZ ' ' A' ' 51' ' ' PHE . 84.0 mt -62.17 -42.55 99.37 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.589 0.356 . . . . 72.4 110.558 174.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.53 -42.19 43.99 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.634 0.774 . . . . 72.52 111.732 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -71.77 -46.54 58.07 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.948 0.899 . . . . 75.15 112.117 -169.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.477 ' HB2' ' CE1' ' A' ' 51' ' ' PHE . 40.1 mm-40 -68.48 128.49 36.8 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 109.152 -0.684 . . . . 60.05 109.152 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -65.33 -54.38 29.75 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.366 1.066 . . . . 63.42 112.607 -167.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -143.5 119.5 10.68 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.082 0.553 . . . . 74.41 110.102 -175.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.608 ' HZ ' ' HA ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -166.37 171.16 12.29 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 124.234 1.014 . . . . 74.53 110.087 174.758 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.46 -168.11 1.87 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.04 0.936 . . . . 74.02 112.246 -173.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -97.07 134.05 40.93 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.497 1.119 . . . . 75.02 110.935 -170.386 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.6 mp -106.87 141.78 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 N-CA-C 109.064 -0.717 . . . . 75.52 109.064 -172.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 tt -90.83 118.91 30.62 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.828 -0.804 . . . . 75.1 108.828 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.508 ' HA ' ' HB3' ' A' ' 30' ' ' ARG . 22.3 mm -98.18 137.15 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 N-CA-C 108.881 -0.785 . . . . 73.33 108.881 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.0 mt -117.54 140.87 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 107.764 -1.199 . . . . 71.14 107.764 167.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.2 t -137.29 152.32 49.65 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.531 1.133 . . . . 75.03 109.163 174.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -95.38 -15.38 23.08 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.394 0.678 . . . . 74.53 110.906 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.473 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 17.6 t70 -129.76 143.78 50.98 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.355 0.662 . . . . 75.12 110.814 -170.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -77.73 -31.93 52.5 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.272 1.029 . . . . 74.34 113.0 -174.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.403 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 84.0 mm-40 -72.74 -21.94 60.94 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 110.453 -0.203 . . . . 74.04 110.453 177.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.563 HD13 HG12 ' A' ' 32' ' ' VAL . 71.9 mt -70.1 -44.42 69.07 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 122.976 0.51 . . . . 73.24 109.745 170.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.572 HD13 HD13 ' A' ' 80' ' ' LEU . 71.5 mt -54.69 -51.26 66.09 Favored 'General case' 0 C--N 1.368 1.393 0 O-C-N 124.115 0.884 . . . . 64.11 109.445 176.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -52.53 -49.5 64.75 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 125.201 1.563 . . . . 74.34 111.482 -172.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 5.7 mm-40 -66.54 -41.32 88.91 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 123.703 0.627 . . . . 65.31 111.18 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 69.5 mtm -63.16 -45.88 89.77 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 118.842 -0.599 . . . . 74.2 111.872 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 67.2 mt -52.47 -37.13 56.41 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.914 0.885 . . . . 73.5 111.201 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -75.87 -38.64 57.72 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 114.761 -1.109 . . . . 75.35 111.078 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.456 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 90.2 mt -61.89 -52.04 65.71 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.507 0.723 . . . . 74.12 110.647 176.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.441 HG21 HD21 ' A' ' 4' ' ' LEU . 33.1 mt -55.14 -41.67 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 124.792 1.237 . . . . 75.23 110.711 177.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.4 t -65.05 -43.83 91.0 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 114.835 -1.075 . . . . 64.41 111.099 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -16.56 56.26 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.638 0.375 . . . . 61.45 111.596 -179.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 95.9 mt -74.76 -31.11 61.69 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.567 -0.531 . . . . 74.21 109.567 169.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.45 25.25 12.44 Favored Glycine 0 C--N 1.343 0.951 0 CA-C-N 115.565 -0.743 . . . . 72.45 111.752 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.422 ' HE2' ' HB3' ' A' ' 45' ' ' LEU . 23.0 m-30 -99.7 159.18 15.24 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.424 1.09 . . . . 70.11 110.868 178.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -73.76 122.55 22.58 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.856 0.723 . . . . 71.22 109.878 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.5 t -90.53 120.69 39.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 123.466 0.707 . . . . 73.53 109.819 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -130.35 131.74 45.5 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 107.404 -1.332 . . . . 75.32 107.404 171.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.572 HD13 HD13 ' A' ' 64' ' ' LEU . 41.2 tp -122.94 143.12 50.11 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.051 -1.092 . . . . 70.11 108.051 178.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 39.7 tp -145.48 113.93 6.7 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 106.793 -1.558 . . . . 73.34 106.793 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.74 137.93 53.84 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.97 0.891 . . . . 72.5 111.2 -176.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.471 ' HG2' ' HA ' ' A' ' 110' ' ' ASP . 0.5 OUTLIER -142.09 129.67 21.43 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 126.079 1.751 . . . . 75.02 107.397 -179.478 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.426 ' H ' HD13 ' A' ' 90' ' ' LEU . 8.0 m-20 -156.49 159.3 38.49 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.778 -1.193 . . . . 64.35 107.778 177.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -76.29 -22.71 54.73 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.471 -0.786 . . . . 72.22 109.683 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -90.86 92.48 8.8 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 123.661 0.784 . . . . 65.1 108.89 169.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -75.96 -24.26 55.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.987 0.515 . . . . 75.45 111.418 -177.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -62.2 -37.18 84.32 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.599 0.359 . . . . 73.4 111.188 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.57 -27.02 55.7 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.783 0.433 . . . . 75.44 111.212 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.426 HD13 ' H ' ' A' ' 84' ' ' ASP . 94.9 mt -67.36 -51.9 46.61 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.075 0.55 . . . . 74.4 110.813 176.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.88 -39.8 79.57 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.863 0.865 . . . . 71.24 111.802 -170.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 14.1 pt-20 -71.8 -36.08 70.17 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 122.787 0.435 . . . . 72.4 110.958 -176.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -74.81 -41.35 60.12 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.319 0.648 . . . . 75.42 110.215 176.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.421 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 25.8 ttpt -55.45 -51.16 67.84 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.827 0.851 . . . . 74.43 111.721 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -61.34 -26.46 67.83 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 124.164 0.915 . . . . 73.42 111.937 -175.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 33.3 mmtp -70.65 -40.99 72.73 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.069 0.548 . . . . 73.2 110.061 175.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 26.0 mm -69.03 -36.57 74.45 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 123.614 0.766 . . . . 72.24 110.122 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.24 -38.64 87.38 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.61 0.764 . . . . 75.13 110.832 171.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.0 t -68.35 -34.82 76.78 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.569 0.747 . . . . 75.11 110.318 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 82.7 mm-40 -72.18 -14.21 61.75 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.342 0.657 . . . . 73.22 110.831 175.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.53 7.05 72.67 Favored Glycine 0 C--N 1.35 1.318 0 C-N-CA 123.156 0.407 . . . . 71.42 113.14 175.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -85.96 149.52 25.13 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 123.06 0.544 . . . . 71.13 110.237 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -74.65 121.72 22.09 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-N 115.623 -0.717 . . . . 74.32 109.829 178.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.0 p -138.37 133.74 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 C-N-CA 123.905 0.882 . . . . 75.22 110.306 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -120.07 120.06 35.15 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.119 0.968 . . . . 75.02 109.622 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.421 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -105.58 135.44 46.98 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.862 -0.792 . . . . 75.5 108.862 178.474 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.481 ' HB ' ' HB2' ' A' ' 112' ' ' GLU . 27.4 m -133.0 148.26 31.43 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 C-N-CA 123.819 0.848 . . . . 73.1 109.68 178.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 m -81.02 -42.9 20.38 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.388 0.613 . . . . 73.44 109.745 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.464 ' HB3' ' HG3' ' A' ' 112' ' ' GLU . 4.3 t70 -101.09 151.33 21.94 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 114.953 -1.021 . . . . 73.44 111.241 -173.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.482 ' HB3' HD11 ' A' ' 14' ' ' LEU . 3.2 m-20 -64.54 -32.87 74.7 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 113.303 -1.771 . . . . 71.25 111.756 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.48 -32.5 68.33 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.578 0.751 . . . . 64.24 111.58 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.481 ' HB2' ' HB ' ' A' ' 107' ' ' VAL . 37.8 mt-10 -70.03 -31.13 68.62 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.029 0.532 . . . . 74.1 110.32 -178.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.438 ' O ' HG22 ' A' ' 117' ' ' VAL . . . -62.05 -44.08 97.46 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.761 -0.654 . . . . 63.24 110.47 172.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 70.6 mt -65.27 -32.42 74.08 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.045 0.938 . . . . 72.14 110.667 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -66.12 -48.19 71.69 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.753 -1.112 . . . . 75.03 110.488 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 60.3 mt -71.94 -27.15 26.69 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 C-N-CA 123.874 0.869 . . . . 73.45 111.613 -175.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 113' ' ' ALA . 67.7 t -56.62 -44.2 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 122.977 0.511 . . . . 73.13 110.494 173.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -71.39 -44.08 65.63 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.33 0.652 . . . . 61.0 110.914 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -59.94 -37.72 80.35 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.539 0.736 . . . . 73.32 112.22 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -50.67 -48.8 58.35 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.006 0.923 . . . . 65.12 111.554 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.7 mtt -64.16 -24.83 67.83 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 114.88 -1.055 . . . . 73.32 113.047 -170.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 . . . . . 0 N--CA 1.483 1.198 0 C-N-CA 123.602 0.761 . . . . 73.25 111.736 177.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tpt . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 120.568 0.223 . . . . 74.4 110.412 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.507 ' HD3' HD13 ' A' ' 54' ' ' ILE . 23.2 ttmm -140.53 136.81 33.26 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 123.913 0.885 . . . . 71.45 108.69 179.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.684 ' HG3' ' HB2' ' A' ' 124' ' ' ALA . 0.6 OUTLIER -110.08 145.27 37.39 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.627 0.771 . . . . 74.52 109.074 -176.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.416 HD13 HD12 ' A' ' 45' ' ' LEU . 4.4 mm? -126.84 115.02 18.69 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.595 1.158 . . . . 75.53 109.11 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.0 tt -110.36 123.29 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 109.136 -0.69 . . . . 74.35 109.136 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.493 ' HB3' HD22 ' A' ' 64' ' ' LEU . 5.9 mp -103.36 120.18 40.3 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.132 0.973 . . . . 75.53 108.436 -178.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.47 HG21 HD13 ' A' ' 18' ' ' ILE . 2.0 mp -100.56 135.02 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 108.319 -0.993 . . . . 75.31 108.319 175.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -116.05 108.98 16.89 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 107.959 -1.126 . . . . 74.33 107.959 173.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 t -147.66 137.29 22.64 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 122.779 0.432 . . . . 65.25 109.912 171.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -92.36 -7.3 48.18 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.334 0.654 . . . . 64.1 110.891 172.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -80.21 97.2 6.83 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 109.23 -0.656 . . . . 63.23 109.23 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -44.51 -48.57 10.16 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.578 1.551 . . . . 73.45 112.96 178.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.25 -36.04 82.91 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.001 -0.999 . . . . 75.41 111.013 -175.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.542 HD13 ' HB2' ' A' ' 110' ' ' ASP . 49.5 tp -68.0 -42.15 81.15 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 119.311 -0.376 . . . . 74.32 110.338 176.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.567 HG21 HG21 ' A' ' 57' ' ' ILE . 73.3 mt -51.56 -45.37 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 123.375 0.67 . . . . 74.14 110.601 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -67.99 -38.19 82.37 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.679 -0.691 . . . . 73.22 112.071 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.405 ' HE2' HD13 ' A' ' 114' ' ' LEU . 57.3 mtpt -63.42 -38.01 89.49 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 122.946 0.498 . . . . 74.44 110.925 177.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.545 ' O ' HG21 ' A' ' 22' ' ' VAL . 87.2 mt -63.83 -49.79 80.41 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 108.452 -0.944 . . . . 74.1 108.452 177.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.532 ' HE3' HG22 ' A' ' 15' ' ' ILE . 95.5 mttt -52.76 -42.69 65.21 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 124.053 0.845 . . . . 72.51 111.346 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -57.61 -51.13 70.74 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 123.916 0.76 . . . . 74.42 110.445 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 33.3 mm-40 -56.92 -43.61 81.6 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 124.007 0.817 . . . . 74.35 111.776 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.55 HG23 HD22 ' A' ' 55' ' ' LEU . 58.8 t -69.51 -33.35 56.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.999 0.919 . . . . 72.0 110.622 -175.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 15.3 mm-40 -73.01 -30.15 63.55 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.204 0.602 . . . . 74.11 110.892 174.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -69.01 -35.25 76.45 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.264 0.626 . . . . 74.14 110.197 176.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.542 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 61.5 mm-40 -85.67 -26.59 25.87 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.815 -0.63 . . . . 72.01 110.948 -178.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.441 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . 98.2 8.69 54.89 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 115.818 -0.628 . . . . 72.35 113.683 178.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.51 ' HB2' HG11 ' A' ' 22' ' ' VAL . 2.0 m-85 -76.57 162.47 27.74 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 117.374 0.587 . . . . 73.13 110.384 178.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.575 ' HB2' HG13 ' A' ' 54' ' ' ILE . 19.7 mm-40 -94.54 112.82 24.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.106 0.562 . . . . 73.35 109.984 -173.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.479 HG12 ' HG2' ' A' ' 19' ' ' LYS . 34.8 t -79.72 124.36 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 C-N-CA 122.847 0.459 . . . . 70.43 109.878 176.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -131.68 128.57 39.27 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.611 -0.885 . . . . 75.2 108.611 167.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -92.93 135.95 33.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.198 0.999 . . . . 73.14 109.857 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.489 HG11 ' HB3' ' A' ' 38' ' ' LEU . 92.1 t -126.79 119.23 52.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 N-CA-C 107.762 -1.199 . . . . 75.13 107.762 171.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -135.68 15.81 3.37 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.047 0.939 . . . . 74.34 109.185 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -152.37 146.01 25.01 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 124.27 1.028 . . . . 74.42 108.837 -173.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.408 ' HA ' HD23 ' A' ' 63' ' ' LEU . 66.7 p -71.88 -26.2 62.25 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.822 0.849 . . . . 62.25 112.532 -172.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -83.26 -31.11 27.12 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.881 0.473 . . . . 75.34 110.444 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.469 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 41.0 mm-40 -63.19 -38.35 90.81 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.555 0.576 . . . . 64.41 112.555 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.506 ' HB2' ' SD ' ' A' ' 67' ' ' MET . 3.5 pp -65.83 -39.67 91.03 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 111.772 0.286 . . . . 75.25 111.772 -175.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -75.25 -24.34 57.62 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.75 0.42 . . . . 75.13 110.72 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HD3' ' HA ' ' A' ' 37' ' ' GLU . 57.9 mtpt -65.77 -52.83 47.68 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 108.53 -0.915 . . . . 74.3 108.53 168.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.533 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 41.0 mm-40 -57.9 -44.0 86.47 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 115.58 -0.736 . . . . 74.12 112.129 -176.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 33.9 mmt -55.14 -35.41 64.68 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.091 0.556 . . . . 73.45 111.841 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -75.73 -42.19 51.35 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.787 -0.642 . . . . 73.41 110.278 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.433 ' N ' ' HE2' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -57.82 -41.14 81.6 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.248 0.619 . . . . 73.43 110.382 178.778 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 64.1 mt -65.29 -40.06 93.37 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.332 1.053 . . . . 74.3 111.06 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.46 -39.92 70.66 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.589 -0.732 . . . . 73.45 111.239 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -72.82 -35.66 67.35 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.605 0.762 . . . . 73.42 111.366 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -105.45 111.63 24.41 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.265 0.626 . . . . 73.2 109.788 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -97.16 -66.7 0.89 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.243 0.617 . . . . 73.35 110.227 -173.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -81.97 83.35 7.28 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 115.194 -0.912 . . . . 65.34 110.868 -171.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.463 ' CZ ' HD12 ' A' ' 54' ' ' ILE . 2.2 p90 -167.32 -178.56 4.1 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 125.064 1.346 . . . . 75.33 107.608 166.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.441 ' HG2' ' HA ' ' A' ' 27' ' ' TYR . 10.3 tp10 -54.5 151.35 7.93 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.471 1.108 . . . . 75.12 112.816 -175.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.42 ' HD2' ' HG2' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -75.34 147.26 40.25 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.327 0.651 . . . . 74.05 110.609 174.594 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.575 HG13 ' HB2' ' A' ' 28' ' ' GLN . 2.0 mp -102.32 144.2 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 115.501 -0.772 . . . . 64.03 110.941 -165.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.55 HD22 HG23 ' A' ' 22' ' ' VAL . 6.1 tt -113.83 116.46 29.36 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.842 1.257 . . . . 70.22 108.028 173.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 30.5 mm -98.15 129.67 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.213 -1.032 . . . . 74.23 108.213 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.567 HG21 HG21 ' A' ' 15' ' ' ILE . 56.3 mt -109.45 139.3 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 108.591 -0.892 . . . . 73.45 108.591 170.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.504 ' HB3' HD23 ' A' ' 64' ' ' LEU . 32.4 t -149.5 163.59 37.38 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.957 0.903 . . . . 75.21 109.652 174.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -113.7 -13.89 12.64 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.201 1.0 . . . . 73.15 110.711 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -113.62 132.78 55.62 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.955 0.902 . . . . 71.33 110.017 -172.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.766 ' HZ3' ' HB3' ' A' ' 89' ' ' GLU . 94.0 mttt -75.12 -33.28 61.57 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.386 1.074 . . . . 73.32 112.448 -174.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -64.51 -33.7 76.5 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.696 0.622 . . . . 74.55 109.929 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.46 HD11 HG13 ' A' ' 32' ' ' VAL . 35.5 mt -66.01 -56.45 11.54 Favored 'General case' 0 C--N 1.356 0.855 0 O-C-N 124.228 0.955 . . . . 63.54 109.499 176.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.504 HD23 ' HB3' ' A' ' 58' ' ' SER . 73.7 mt -53.88 -44.29 70.33 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 114.631 -1.168 . . . . 74.45 111.506 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -62.75 -35.45 79.83 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 124.702 1.251 . . . . 75.22 110.789 -175.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.78 -54.99 34.88 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 123.522 0.514 . . . . 74.31 110.325 169.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.506 ' SD ' ' HB2' ' A' ' 38' ' ' LEU . 3.3 mpp? -63.27 -33.06 74.68 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.944 0.72 . . . . 71.52 112.944 -173.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 86.1 mt -55.81 -38.02 69.42 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 122.979 0.512 . . . . 72.13 110.913 175.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -82.81 -39.4 21.79 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.044 0.938 . . . . 74.42 111.777 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.12 -51.07 58.66 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.633 0.773 . . . . 75.21 110.979 -175.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.09 -31.41 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 124.743 1.217 . . . . 71.35 110.922 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.2 t -68.29 -29.26 67.99 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.494 0.717 . . . . 71.45 111.124 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -77.95 -40.43 39.45 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.857 0.863 . . . . 74.33 110.642 172.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.6 -26.27 68.61 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-N 115.048 -0.978 . . . . 74.01 110.938 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.58 53.01 2.85 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.62 0.575 . . . . 72.24 112.751 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -127.24 168.56 14.56 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.623 0.769 . . . . 74.44 109.824 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -73.29 115.88 13.17 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 108.495 -0.928 . . . . 73.11 108.495 172.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 44.3 t -89.85 137.76 20.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 N-CA-C 108.17 -1.048 . . . . 72.31 108.17 174.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -143.6 141.43 30.63 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 107.187 -1.412 . . . . 74.34 107.187 173.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.42 HD23 HD11 ' A' ' 68' ' ' LEU . 42.2 tp -129.35 139.52 51.69 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 108.565 -0.902 . . . . 63.31 108.565 177.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.0 tp -142.24 126.64 17.72 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 106.142 -1.799 . . . . 73.3 106.142 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 pp -137.26 145.08 43.11 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.234 0.54 . . . . 54.2 111.19 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.17 142.1 18.05 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 107.395 -1.335 . . . . 73.22 107.395 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -165.05 167.28 18.5 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 109.459 -0.571 . . . . 70.22 109.459 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -66.02 -29.48 69.85 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.0 1.32 . . . . 74.1 110.667 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -95.42 99.02 10.99 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.12 0.968 . . . . 74.42 110.302 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -63.68 -36.7 84.72 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.475 0.71 . . . . 73.23 111.14 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -59.79 -39.12 83.89 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.007 0.923 . . . . 71.02 110.573 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.766 ' HB3' ' HZ3' ' A' ' 61' ' ' LYS . 59.1 mm-40 -72.93 -30.45 63.89 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.733 -0.667 . . . . 72.0 111.934 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.32 -52.02 38.15 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.138 0.575 . . . . 65.23 111.081 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.31 -36.79 82.23 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.729 0.812 . . . . 65.31 112.56 -174.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.35 -34.36 70.42 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.308 0.243 . . . . 71.3 111.462 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.428 ' O ' HG12 ' A' ' 97' ' ' ILE . 34.7 t80 -71.57 -48.33 49.14 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.84 0.456 . . . . 70.15 110.151 173.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.491 ' HD2' ' HB2' ' A' ' 106' ' ' LYS . 55.3 tttm -58.84 -46.08 88.56 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.903 0.881 . . . . 74.44 112.44 -174.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -59.61 -31.19 69.25 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 122.848 0.459 . . . . 74.44 112.026 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.441 ' HZ1' ' HB3' ' A' ' 96' ' ' LYS . 2.2 mmmp? -72.15 -40.11 68.26 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.47 0.708 . . . . 74.34 109.982 177.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.446 HG23 ' HB2' ' A' ' 102' ' ' TYR . 31.1 mm -69.65 -33.73 57.98 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.152 0 C-N-CA 123.718 0.807 . . . . 74.1 110.709 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.94 -32.85 73.58 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.539 0.736 . . . . 71.14 111.059 171.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.3 t -72.42 -23.61 61.11 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.348 0.659 . . . . 74.43 110.739 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 78.3 mt-30 -80.31 -20.5 44.16 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.533 0.733 . . . . 72.34 110.319 170.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.59 38.6 8.1 Favored Glycine 0 C--N 1.357 1.699 0 C-N-CA 123.542 0.591 . . . . 72.1 113.113 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.446 ' HB2' HG23 ' A' ' 97' ' ' ILE . 69.5 m-85 -110.86 145.8 37.61 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.137 0.575 . . . . 74.23 110.92 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -68.58 101.77 1.34 Allowed 'General case' 0 CA--C 1.545 0.762 0 O-C-N 124.164 0.915 . . . . 72.44 109.409 171.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.4 p -124.03 131.2 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 124.609 1.164 . . . . 54.41 109.741 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -109.12 148.86 30.19 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.461 0.704 . . . . 75.14 109.313 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.491 ' HB2' ' HD2' ' A' ' 94' ' ' LYS . 28.2 ttpp -133.25 129.69 37.99 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.406 0.683 . . . . 64.43 109.659 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 32.8 m -140.96 162.37 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 123.25 0.62 . . . . 73.21 109.98 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.3 m -103.45 -52.63 2.96 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.762 0.825 . . . . 74.34 109.154 -176.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.452 ' HB3' ' HG2' ' A' ' 111' ' ' GLU . 1.9 m-20 -77.85 144.66 36.81 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 124.152 0.981 . . . . 72.14 110.245 177.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.542 ' HB2' HD13 ' A' ' 14' ' ' LEU . 1.3 p-10 -65.58 -30.14 70.83 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.196 -0.911 . . . . 75.14 110.928 177.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.452 ' HG2' ' HB3' ' A' ' 109' ' ' ASP . 15.2 pt-20 -62.54 -38.1 88.7 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.555 0.742 . . . . 75.24 111.471 -178.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.16 -38.55 85.67 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.814 0.846 . . . . 74.12 110.275 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.427 ' O ' HG21 ' A' ' 117' ' ' VAL . . . -61.63 -42.69 99.25 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 115.289 -0.869 . . . . 72.42 110.414 175.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.405 HD13 ' HE2' ' A' ' 17' ' ' LYS . 98.0 mt -66.2 -33.79 76.56 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.692 0.797 . . . . 74.14 111.253 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -62.08 -49.72 74.83 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 123.59 0.557 . . . . 72.51 109.707 174.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 74.6 mt -70.3 -30.04 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 O-C-N 123.999 0.812 . . . . 72.11 111.452 -175.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.427 HG21 ' O ' ' A' ' 113' ' ' ALA . 55.2 t -59.28 -47.3 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 N-CA-C 109.372 -0.603 . . . . 74.1 109.372 170.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -70.15 -38.44 75.47 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.945 0.498 . . . . 75.33 111.433 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -59.55 -40.57 87.7 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.627 0.771 . . . . 74.43 111.718 176.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -60.12 -36.52 77.65 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 123.963 0.789 . . . . 74.13 110.659 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.504 ' HG3' ' HG3' ' A' ' 25' ' ' GLN . 22.9 mmt -57.15 -29.37 63.55 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.736 0.643 . . . . 64.33 112.736 -175.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -100.78 -36.11 9.21 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.893 0.477 . . . . 73.32 111.271 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -69.64 -20.86 63.59 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.908 0.883 . . . . 75.44 112.348 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.684 ' HB2' ' HG3' ' A' ' 3' ' ' GLU . . . -73.06 -29.37 62.91 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.389 0.676 . . . . 73.4 110.213 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -80.95 57.59 4.82 Favored Glycine 0 C--N 1.353 1.519 0 O-C-N 123.874 0.733 . . . . 75.21 111.856 174.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.5 m -84.28 157.84 21.42 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 124.003 0.921 . . . . 75.04 110.26 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.38 86.7 1.14 Allowed 'General case' 0 C--O 1.241 0.644 0 N-CA-C 106.896 -1.52 . . . . 72.11 106.896 172.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -71.77 91.09 1.12 Allowed 'General case' 0 C--O 1.239 0.527 0 C-N-CA 123.55 0.74 . . . . 73.31 109.509 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -69.1 94.81 0.69 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 107.162 -1.422 . . . . 75.44 107.162 172.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -58.55 -39.04 79.11 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.091 1.356 . . . . 73.33 111.86 -166.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -75.04 70.69 2.06 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 107.506 -1.294 . . . . 71.55 107.506 169.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -73.33 -19.63 60.98 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 115.029 -0.987 . . . . 74.22 113.37 -155.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -91.63 67.86 5.53 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 109.029 -0.73 . . . . 73.34 109.029 173.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 . . . . . 0 CA--C 1.561 1.383 0 C-N-CA 125.43 1.492 . . . . 75.32 111.526 178.681 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.4 mmm . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 111.521 0.193 . . . . 75.14 111.521 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.422 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 42.5 mttm -120.17 120.43 36.14 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 108.367 -0.975 . . . . 73.43 108.367 161.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -96.02 108.9 21.36 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.491 -0.929 . . . . 71.24 108.491 171.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -93.93 109.39 21.11 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 107.01 -1.478 . . . . 71.22 107.01 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.0 tt -101.36 119.05 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 108.997 -0.742 . . . . 72.35 108.997 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mp -104.41 122.48 45.58 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.846 -1.168 . . . . 72.12 107.846 175.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.518 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 3.0 mp -97.71 136.05 29.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 N-CA-C 107.319 -1.363 . . . . 75.24 107.319 173.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.503 ' HB2' HD12 ' A' ' 64' ' ' LEU . 4.3 t-20 -115.37 124.61 51.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.824 -1.547 . . . . 74.32 106.824 169.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.429 ' HA ' ' HG3' ' A' ' 83' ' ' GLN . 1.4 t -145.69 139.76 26.78 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.029 0.443 . . . . 73.41 110.331 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -86.29 -19.26 30.14 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.329 -0.85 . . . . 71.25 109.582 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -90.37 112.01 23.45 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.226 0.611 . . . . 75.12 109.901 -176.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -58.19 -46.08 86.44 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.75 1.22 . . . . 75.22 112.355 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.31 -32.92 70.88 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.011 -0.995 . . . . 74.01 110.4 -176.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.438 ' O ' HG13 ' A' ' 18' ' ' ILE . 52.6 tp -65.26 -37.95 88.81 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 118.977 -0.535 . . . . 74.25 110.148 177.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.521 HG22 HG21 ' A' ' 57' ' ' ILE . 54.9 mt -50.77 -50.11 24.14 Favored 'Isoleucine or valine' 0 C--N 1.367 1.351 0 O-C-N 123.858 0.724 . . . . 75.2 109.821 173.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -67.61 -36.0 80.01 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.617 -1.174 . . . . 71.42 111.925 -175.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' HE2' HD12 ' A' ' 114' ' ' LEU . 61.0 mtpt -66.57 -40.21 88.87 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.953 0.501 . . . . 74.43 110.386 176.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.479 ' O ' HG21 ' A' ' 22' ' ' VAL . 95.2 mt -62.12 -43.95 98.42 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 CA-C-N 115.357 -0.838 . . . . 75.01 109.255 175.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 94.9 mttt -54.0 -50.78 65.84 Favored 'General case' 0 C--N 1.358 0.97 0 O-C-N 123.942 0.776 . . . . 72.42 110.164 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -63.19 -39.58 95.04 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 124.078 0.861 . . . . 74.2 111.666 -175.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 26.7 mm-40 -51.92 -53.42 41.26 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 121.578 0.704 . . . . 74.52 110.171 173.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 18' ' ' ILE . 28.1 t -76.78 -22.42 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-N 113.976 -1.466 . . . . 73.51 111.897 -170.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 64.2 mm-40 -62.04 -46.3 89.77 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.388 0.675 . . . . 74.41 109.53 171.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -73.96 -20.48 60.34 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.719 -0.673 . . . . 71.3 111.24 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.465 ' HG3' ' HE3' ' A' ' 121' ' ' MET . 6.6 mm-40 -81.02 -16.78 52.42 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 110.394 -0.224 . . . . 72.34 110.394 173.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.8 27.95 57.78 Favored Glycine 0 C--N 1.346 1.114 0 O-C-N 123.265 0.353 . . . . 74.34 113.689 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.446 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 2.6 m-85 -96.12 166.07 11.93 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.359 0.664 . . . . 72.43 109.841 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.473 ' HB2' HG22 ' A' ' 54' ' ' ILE . 0.8 OUTLIER -87.42 115.06 24.58 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.097 -1.075 . . . . 72.13 108.097 -179.576 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.428 HG13 ' HG2' ' A' ' 19' ' ' LYS . 17.7 t -104.58 114.2 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 122.842 0.457 . . . . 73.43 110.555 -176.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -125.91 135.68 52.18 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 108.535 -0.913 . . . . 74.51 108.535 170.202 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -114.1 116.17 28.71 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 108.366 -0.976 . . . . 73.2 108.366 172.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.629 HG13 HD12 ' A' ' 63' ' ' LEU . 79.6 t -86.76 122.21 38.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 114.901 -1.045 . . . . 63.43 109.303 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -114.24 2.79 14.92 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.552 0.741 . . . . 74.22 110.953 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -160.86 152.06 18.96 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.718 0.807 . . . . 74.54 110.056 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.7 m -62.77 -21.88 66.18 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.906 0.882 . . . . 75.43 113.19 -175.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -73.24 -26.97 61.33 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.098 0.559 . . . . 63.5 110.215 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.532 ' HB2' HG12 ' A' ' 32' ' ' VAL . 7.9 mm-40 -75.17 -47.8 26.66 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.61 0.764 . . . . 71.42 111.296 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.547 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.6 pp -64.54 -40.35 95.44 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.344 0.257 . . . . 74.33 111.546 -174.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -63.39 -30.23 71.39 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 123.35 0.406 . . . . 75.21 111.716 -174.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -55.93 -57.79 10.63 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 123.939 0.774 . . . . 74.33 110.131 176.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.1 pt-20 -82.56 -27.09 31.83 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 114.122 -1.399 . . . . 65.15 112.651 -169.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.8 mmt -60.64 -38.98 86.6 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 121.083 0.468 . . . . 62.15 109.757 174.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -64.99 -45.94 83.51 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.228 -0.896 . . . . 74.12 110.449 172.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -62.44 -25.74 68.13 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 112.77 0.656 . . . . 74.5 112.77 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 84.5 mt -69.89 -34.96 74.23 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 118.099 0.409 . . . . 75.5 110.587 175.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.1 -24.81 65.97 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.634 0.774 . . . . 73.45 111.886 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -99.2 -55.5 2.67 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.441 0.696 . . . . 73.43 110.925 -176.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -78.42 108.02 11.47 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.427 0.691 . . . . 71.05 109.585 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -106.32 -33.27 7.82 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.439 0.696 . . . . 73.44 111.367 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -88.92 75.27 8.08 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 121.385 0.612 . . . . 72.12 110.651 -177.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.422 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -174.41 159.41 3.04 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.349 1.46 . . . . 73.13 107.933 169.418 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.48 171.38 13.87 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.466 0.65 . . . . 74.35 111.477 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -63.1 154.55 30.63 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 114.541 -1.208 . . . . 75.12 113.072 -179.559 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.473 HG22 ' HB2' ' A' ' 28' ' ' GLN . 3.3 mp -110.12 146.49 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-N 113.899 -1.501 . . . . 74.02 109.841 -171.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tt -106.11 120.51 41.98 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.674 0.79 . . . . 75.34 110.181 173.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 37.9 mm -112.67 146.53 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.334 1.053 . . . . 74.43 110.123 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.521 HG21 HG22 ' A' ' 15' ' ' ILE . 48.3 mt -125.78 157.83 35.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 N-CA-C 107.977 -1.12 . . . . 72.12 107.977 172.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.6 t -153.84 156.04 36.88 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.138 0.975 . . . . 74.45 109.304 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -108.0 6.05 26.75 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.635 0.774 . . . . 73.3 110.468 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -138.65 146.32 41.52 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.999 0.52 . . . . 61.2 111.692 -175.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -75.13 -39.31 60.61 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.832 1.253 . . . . 75.41 111.504 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -65.97 -33.88 76.83 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.393 0.677 . . . . 75.12 110.56 -173.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.629 HD12 HG13 ' A' ' 32' ' ' VAL . 80.9 mt -65.01 -45.3 86.09 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.525 0.73 . . . . 75.13 110.075 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.514 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 56.6 mt -56.1 -50.68 70.37 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 114.928 -1.033 . . . . 65.23 109.626 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -54.36 -45.82 72.85 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 124.665 1.228 . . . . 74.22 111.313 -175.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -56.14 -56.56 19.37 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.93 0.769 . . . . 75.1 111.072 174.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 25.4 mtt -59.21 -48.07 82.97 Favored 'General case' 0 C--O 1.211 -0.959 0 O-C-N 124.19 0.932 . . . . 71.21 111.405 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 76.1 mt -54.94 -43.8 73.72 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.843 0.857 . . . . 75.43 111.558 -176.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.81 -35.52 74.88 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.782 0.833 . . . . 75.45 111.051 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.491 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 95.3 mt -70.17 -49.05 54.4 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.025 0.53 . . . . 74.33 111.279 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 76.7 mt -62.38 -29.31 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 124.571 1.149 . . . . 72.53 110.401 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.9 t -66.44 -44.04 83.97 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 115.362 -0.835 . . . . 64.12 110.89 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 14.0 ptmm? -79.19 -20.69 47.75 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 122.36 0.264 . . . . 73.13 110.815 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 86.2 mt -72.57 -33.95 67.12 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 109.202 -0.666 . . . . 64.55 109.202 169.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.23 70.89 1.31 Allowed Glycine 0 C--N 1.346 1.088 0 CA-C-N 115.395 -0.821 . . . . 61.22 111.88 177.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -133.69 171.29 14.33 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.702 0.801 . . . . 74.42 110.181 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.41 109.7 10.33 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 109.013 -0.736 . . . . 74.22 109.013 172.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.4 t -92.91 111.14 24.09 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 123.453 0.701 . . . . 75.33 109.979 -176.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -112.55 144.17 42.47 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.499 1.119 . . . . 75.5 108.676 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.512 HD23 HD11 ' A' ' 68' ' ' LEU . 66.2 tp -143.23 108.51 5.01 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.388 0.675 . . . . 73.41 109.738 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.518 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 48.5 tp -102.15 114.45 28.6 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 108.662 -0.866 . . . . 64.45 108.662 173.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 pp -118.39 145.52 45.11 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.832 -0.542 . . . . 72.3 111.47 -175.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.429 ' HG3' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -146.64 145.3 30.0 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 124.039 0.935 . . . . 74.42 109.452 -178.849 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -161.11 169.23 22.78 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 114.8 -1.091 . . . . 64.33 108.232 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -85.69 1.28 50.05 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.357 0.663 . . . . 74.13 111.594 -178.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -125.71 149.25 48.66 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.194 0.998 . . . . 65.14 109.609 175.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -80.88 -48.53 12.23 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.888 0.875 . . . . 72.22 111.157 -176.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -61.82 -41.83 98.26 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 115.198 -0.91 . . . . 73.31 111.875 -171.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.14 -28.98 70.02 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.901 0.88 . . . . 52.44 111.565 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 90.6 mt -81.18 -53.68 6.17 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.475 0.71 . . . . 75.01 111.756 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -70.76 -25.53 62.94 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 123.536 0.523 . . . . 74.32 111.829 -170.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.24 -43.25 70.96 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 123.433 0.458 . . . . 71.54 110.351 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.515 ' O ' HG12 ' A' ' 97' ' ' ILE . 41.4 t80 -71.24 -45.82 62.39 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 108.971 -0.752 . . . . 72.03 108.971 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -51.31 -54.1 29.39 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.661 1.184 . . . . 71.3 112.287 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -61.42 -34.78 75.96 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 123.388 0.43 . . . . 73.43 111.279 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 12.4 mmmm -63.19 -43.81 97.14 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.112 0.565 . . . . 74.04 110.741 175.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 93' ' ' PHE . 36.1 mm -72.7 -33.34 44.08 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.203 0 C-N-CA 123.396 0.679 . . . . 75.44 111.267 -177.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -65.26 -34.24 77.88 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.438 0.695 . . . . 74.24 110.651 169.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.3 t -72.36 -26.91 62.09 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.489 0.716 . . . . 64.41 110.776 175.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 25.0 mm-40 -76.1 -23.41 54.93 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 109.638 -0.505 . . . . 75.22 109.638 171.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 104.71 2.41 43.15 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-O 119.658 -0.523 . . . . 61.42 113.766 173.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.439 ' HB2' HG22 ' A' ' 97' ' ' ILE . 19.2 m-85 -82.32 151.82 26.55 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.042 0.537 . . . . 63.31 111.483 -174.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -77.08 92.08 3.72 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.208 1.003 . . . . 75.41 109.634 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.9 p -113.95 130.13 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 121.479 0.656 . . . . 73.15 110.965 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -119.28 148.29 43.31 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.322 1.049 . . . . 74.44 109.596 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -118.29 152.65 35.35 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.189 0.518 . . . . 74.01 110.676 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.5 m -145.97 133.78 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 125.135 1.374 . . . . 75.32 107.464 173.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.4 m -103.61 12.94 34.3 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 121.532 0.682 . . . . 75.12 110.122 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -131.57 150.81 52.02 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.388 1.075 . . . . 74.44 110.202 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -69.01 -48.25 63.46 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.878 1.271 . . . . 75.11 112.493 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.94 -34.74 78.8 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.248 0.619 . . . . 73.11 111.375 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -68.2 -30.62 69.75 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.451 -0.795 . . . . 72.12 110.573 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.2 -51.1 63.14 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 123.279 0.631 . . . . 73.32 110.647 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.413 HD12 ' HE2' ' A' ' 17' ' ' LYS . 95.8 mt -59.05 -37.68 77.59 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.402 0.681 . . . . 75.11 110.558 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -66.6 -50.26 63.62 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 114.148 -1.387 . . . . 74.04 111.224 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.406 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 27.1 mt -71.23 -27.69 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 122.481 0.312 . . . . 75.01 111.159 -178.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 38.7 t -58.79 -50.74 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 122.963 0.505 . . . . 65.54 110.75 173.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.7 ptm85 -78.54 -22.78 46.74 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 116.576 -0.284 . . . . 73.21 111.587 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.546 ' HB3' ' HE2' ' A' ' 123' ' ' LYS . 39.5 mt-10 -65.74 -39.35 91.01 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.957 0.503 . . . . 75.44 111.138 168.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.52 -38.69 31.52 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.429 1.091 . . . . 75.42 111.3 -177.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.465 ' HE3' ' HG3' ' A' ' 25' ' ' GLN . 18.8 mmt -52.91 -33.38 50.14 Favored 'General case' 0 CA--C 1.551 0.995 0 O-C-N 124.571 1.17 . . . . 74.42 111.7 -176.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -104.7 -24.83 12.89 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.664 0.786 . . . . 72.42 111.848 172.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.546 ' HE2' ' HB3' ' A' ' 119' ' ' GLU . 21.2 ttmm -84.89 -24.16 28.61 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 114.033 1.123 . . . . 74.41 114.033 -164.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -90.98 -32.49 15.93 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 121.138 -0.976 . . . . 72.11 112.947 -171.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -63.03 -76.72 0.25 Allowed Glycine 0 C--N 1.349 1.263 0 O-C-N 123.847 0.717 . . . . 72.41 114.42 -170.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.8 t -153.4 108.2 3.15 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 117.076 0.438 . . . . 73.22 110.741 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.418 HD21 ' O ' ' A' ' 123' ' ' LYS . 2.4 pt? -173.89 174.07 3.12 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.823 1.649 . . . . 63.32 108.192 170.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.5 87.07 1.58 Allowed 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 121.451 0.643 . . . . 73.34 110.163 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -144.84 115.88 7.88 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 107.303 -1.369 . . . . 75.51 107.303 172.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -169.94 129.99 0.97 Allowed 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.756 -0.831 . . . . 74.03 108.756 -178.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -135.33 96.63 3.52 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.76 0.824 . . . . 72.53 109.013 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -90.47 65.24 6.07 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 108.059 -1.089 . . . . 74.41 108.059 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -73.91 140.27 45.52 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 115.193 -0.912 . . . . 74.31 109.581 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 . . . . . 0 C--O 1.25 1.093 0 O-C-N 124.481 1.113 . . . . 74.14 111.123 178.51 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptm . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 110.379 -0.23 . . . . 75.34 110.379 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -132.34 124.35 28.6 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.653 0.781 . . . . 72.24 109.998 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.499 ' HG3' ' HZ1' ' A' ' 53' ' ' LYS . 4.8 mm-40 -96.57 117.8 31.71 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 107.622 -1.251 . . . . 73.21 107.622 176.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -108.51 113.32 26.25 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 122.091 -0.381 . . . . 74.44 110.042 -173.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.0 tt -104.88 121.11 56.4 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.003 0 C-N-CA 123.293 0.637 . . . . 75.2 109.453 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.25 118.8 37.64 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 108.472 -0.936 . . . . 75.14 108.472 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.715 HG23 HD13 ' A' ' 18' ' ' ILE . 2.1 mp -100.06 115.67 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 108.494 -0.928 . . . . 75.33 108.494 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.56 ' HB2' HD13 ' A' ' 64' ' ' LEU . 22.5 t-20 -100.23 124.93 46.26 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 106.807 -1.553 . . . . 74.42 106.807 170.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 t -143.94 129.81 19.4 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 122.875 0.47 . . . . 74.13 109.864 -177.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -84.26 -24.98 29.71 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.21 -0.905 . . . . 72.42 109.56 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.472 ' ND2' ' HB2' ' A' ' 14' ' ' LEU . 45.9 t30 -91.68 114.25 26.74 Favored 'General case' 0 C--O 1.245 0.866 0 C-N-CA 123.722 0.809 . . . . 74.2 110.849 -175.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -69.29 -40.35 77.76 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.912 -1.04 . . . . 73.23 111.981 -174.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.41 ' HG3' ' OD1' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -67.54 -26.17 66.18 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 110.118 -0.327 . . . . 62.4 110.118 178.615 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.472 ' HB2' ' ND2' ' A' ' 11' ' ' ASN . 29.1 tp -68.18 -41.8 80.91 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-O 118.733 -0.651 . . . . 73.15 110.291 176.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.467 ' HA ' HD11 ' A' ' 18' ' ' ILE . 34.4 mt -48.24 -41.6 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 124.261 0.976 . . . . 74.03 111.303 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -59.6 -49.47 77.62 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 123.984 0.802 . . . . 71.21 110.472 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -67.57 -31.41 71.46 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.55 1.14 . . . . 74.34 111.564 -176.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.715 HD13 HG23 ' A' ' 7' ' ' ILE . 82.4 mt -63.47 -53.12 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.412 -0.959 . . . . 74.21 108.412 173.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.543 ' HG2' HG12 ' A' ' 29' ' ' VAL . 99.2 mttt -52.66 -46.85 67.37 Favored 'General case' 0 C--N 1.362 1.133 0 O-C-N 124.476 1.11 . . . . 74.54 110.631 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -62.61 -38.02 88.54 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.8 0.84 . . . . 74.33 112.092 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -62.39 -42.85 99.74 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.873 0.469 . . . . 70.21 110.947 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.537 HG21 ' O ' ' A' ' 18' ' ' ILE . 35.8 t -72.03 -27.42 27.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 123.76 0.824 . . . . 74.51 110.907 -177.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 23.0 mm-40 -71.98 -31.21 66.03 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.285 0.634 . . . . 74.3 111.017 174.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -73.25 -29.21 62.6 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.052 0.541 . . . . 74.44 110.447 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.58 ' HG3' ' HG3' ' A' ' 121' ' ' MET . 17.3 mm-40 -88.69 -26.82 21.63 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.635 0.774 . . . . 72.33 110.5 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.3 47.24 8.37 Favored Glycine 0 C--N 1.341 0.84 0 CA-C-N 116.262 -0.427 . . . . 73.31 113.053 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.479 ' HB2' HG12 ' A' ' 22' ' ' VAL . 2.2 m-85 -108.7 171.22 7.55 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.807 0.843 . . . . 72.44 109.727 174.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -91.46 116.17 28.63 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.358 0.663 . . . . 71.31 110.061 -176.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.543 HG12 ' HG2' ' A' ' 19' ' ' LYS . 36.9 t -94.89 117.88 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.498 0.719 . . . . 74.01 109.859 177.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -127.14 109.01 11.41 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.863 -1.162 . . . . 73.45 107.863 165.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -86.74 116.22 24.7 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 109.19 -0.67 . . . . 61.21 109.19 175.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.509 HG11 ' HB3' ' A' ' 38' ' ' LEU . 74.1 t -88.96 123.61 41.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 124.785 1.234 . . . . 73.11 109.914 173.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -121.21 4.77 10.31 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.352 1.061 . . . . 73.23 110.736 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 25.6 t70 -155.22 152.28 29.14 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.099 0.56 . . . . 73.11 110.845 -171.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.438 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 48.9 m -64.36 -32.43 74.04 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.888 0.875 . . . . 62.11 112.682 -176.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -80.4 -21.9 41.81 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 122.472 0.309 . . . . 73.35 110.363 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 28.3 mm-40 -67.65 -44.14 78.61 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.95 0.5 . . . . 72.23 111.159 175.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.509 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.2 pp -66.19 -42.0 89.44 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.064 0.227 . . . . 73.5 111.428 -175.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -71.21 -33.03 69.52 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.617 0.573 . . . . 70.51 110.39 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.7 pttm -73.12 -32.13 64.74 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 109.337 -0.616 . . . . 71.35 109.337 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.554 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 63.2 mm-40 -72.49 -30.97 64.99 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 123.38 0.425 . . . . 75.34 110.916 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 33.3 mmt -66.02 -31.16 71.89 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.323 0.249 . . . . 75.12 110.425 172.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -74.98 -36.46 62.01 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.688 0.795 . . . . 72.33 110.38 174.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -59.87 -60.72 3.39 Favored 'General case' 0 C--O 1.206 -1.196 0 C-N-CA 123.979 0.911 . . . . 74.02 110.511 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 32.1 mt -61.28 -28.07 68.93 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.566 0.746 . . . . 72.24 111.495 -174.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.37 -48.53 41.02 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.981 0.912 . . . . 71.23 111.421 177.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -80.59 -35.26 34.41 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.216 0.607 . . . . 74.24 112.022 -174.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -72.96 96.5 2.14 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 107.758 -1.201 . . . . 70.21 107.758 171.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -75.37 -64.79 0.99 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.085 -0.507 . . . . 74.21 112.104 -165.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -105.86 94.96 5.47 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.195 0.598 . . . . 54.0 111.229 -174.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -159.79 161.56 34.65 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 124.016 0.926 . . . . 74.54 109.057 165.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -66.14 160.57 23.76 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.548 0.739 . . . . 64.21 111.293 -174.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.499 ' HZ1' ' HG3' ' A' ' 3' ' ' GLU . 13.4 ptpt -48.69 148.89 1.92 Allowed 'General case' 0 C--O 1.245 0.849 0 C-N-CA 125.661 1.584 . . . . 74.14 112.681 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.59 142.43 27.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-N 115.081 -0.963 . . . . 73.23 110.162 -165.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.505 HD23 HG23 ' A' ' 22' ' ' VAL . 3.8 tt -106.57 110.39 22.58 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.925 -1.034 . . . . 75.33 108.905 175.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.484 HG22 ' SD ' ' A' ' 67' ' ' MET . 36.3 mm -99.43 127.56 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 123.687 0.795 . . . . 72.32 108.888 177.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.429 HG23 HG23 ' A' ' 15' ' ' ILE . 60.5 mt -103.84 110.64 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 108.635 -0.876 . . . . 74.31 108.635 173.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.454 ' HB2' ' HE1' ' A' ' 67' ' ' MET . 45.0 t -113.7 106.43 14.49 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 108.656 -0.868 . . . . 64.51 108.656 -177.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -83.93 13.61 4.8 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.963 0.905 . . . . 72.21 112.557 -171.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.443 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 20.1 t70 -140.32 144.79 36.54 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.537 0.735 . . . . 72.1 109.394 172.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.604 ' HE2' ' HB3' ' A' ' 89' ' ' GLU . 63.8 mttp -84.09 -23.96 30.54 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.281 -0.872 . . . . 74.54 112.68 -173.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -71.29 -32.04 68.18 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 109.015 -0.735 . . . . 75.34 109.015 174.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.443 ' HG ' ' HB3' ' A' ' 60' ' ' ASP . 59.7 mt -66.59 -40.83 89.07 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 115.619 -0.719 . . . . 73.13 110.803 175.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.56 HD13 ' HB2' ' A' ' 8' ' ' ASN . 88.5 mt -53.59 -58.68 6.32 Favored 'General case' 0 C--N 1.362 1.144 0 O-C-N 124.445 1.091 . . . . 72.0 110.591 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -55.29 -48.87 73.45 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 124.265 0.978 . . . . 75.51 112.27 -170.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -58.3 -47.75 82.67 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 124.008 0.817 . . . . 74.11 110.903 176.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.484 ' SD ' HG22 ' A' ' 56' ' ' ILE . 24.1 ttm -66.01 -39.51 90.33 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.157 -0.929 . . . . 73.22 111.338 -173.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 80.8 mt -55.18 -45.48 75.78 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.271 1.028 . . . . 70.41 110.766 178.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.53 -32.44 62.47 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.69 -1.141 . . . . 72.02 111.353 -176.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 90.7 mt -68.37 -42.75 78.7 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 122.421 0.288 . . . . 73.15 110.976 175.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.441 HG23 ' HB2' ' A' ' 76' ' ' TYR . 92.0 mt -63.22 -33.65 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 123.597 0.759 . . . . 74.45 110.581 174.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.5 t -61.29 -45.79 93.03 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.449 -0.796 . . . . 63.4 110.792 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -14.54 55.24 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.654 0.382 . . . . 73.45 111.707 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 83.7 mt -73.8 -29.97 62.47 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 109.596 -0.52 . . . . 75.1 109.596 169.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.11 7.95 51.51 Favored Glycine 0 C--N 1.348 1.238 0 CA-C-N 116.031 -0.531 . . . . 73.34 113.324 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.441 ' HB2' HG23 ' A' ' 71' ' ' ILE . 12.5 m-85 -89.5 161.61 16.14 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.706 0.402 . . . . 73.22 110.078 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -70.63 128.19 35.24 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 123.423 0.452 . . . . 62.42 109.851 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.0 t -93.11 106.69 18.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 N-CA-C 108.533 -0.914 . . . . 74.24 108.533 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -115.84 140.93 48.74 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 106.794 -1.558 . . . . 73.14 106.794 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 47.3 tp -132.14 144.03 50.4 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.342 -0.985 . . . . 73.33 108.342 -176.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.8 tp -141.7 114.31 8.39 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 105.824 -1.917 . . . . 72.02 105.824 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.493 ' HB2' HD23 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -122.32 133.46 54.67 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.317 0.579 . . . . 72.3 110.17 -176.713 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.33 147.64 49.2 Favored 'General case' 0 C--O 1.245 0.857 0 CA-C-N 114.92 -1.036 . . . . 70.34 108.216 176.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.461 ' HB2' HD21 ' A' ' 90' ' ' LEU . 7.5 t70 -164.09 156.79 17.49 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.379 -0.971 . . . . 75.14 108.379 -177.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -73.28 -13.08 61.06 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.243 0.617 . . . . 75.13 111.449 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -130.86 112.02 12.62 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.081 1.352 . . . . 74.31 108.254 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -78.72 -4.61 50.06 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.177 0.591 . . . . 73.03 112.381 -172.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -64.77 -38.33 90.62 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.536 -0.542 . . . . 73.05 109.536 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.604 ' HB3' ' HE2' ' A' ' 61' ' ' LYS . 49.0 mm-40 -55.87 -47.9 76.53 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.106 -0.952 . . . . 71.33 111.435 169.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.493 HD23 ' HB2' ' A' ' 82' ' ' LEU . 80.4 mt -70.21 -39.32 75.22 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.627 -1.17 . . . . 73.42 112.63 -171.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -81.63 -32.0 32.14 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.718 0.636 . . . . 64.1 111.086 -173.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.7 -46.82 83.75 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 123.695 0.798 . . . . 75.43 109.692 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.457 ' O ' HG12 ' A' ' 97' ' ' ILE . 6.4 t80 -63.12 -52.76 61.27 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 114.684 -1.144 . . . . 75.11 109.817 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -60.82 -46.13 91.76 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.789 0.836 . . . . 73.43 111.99 -174.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -60.97 -28.76 69.23 Favored 'General case' 0 N--CA 1.485 1.304 0 O-C-N 123.596 0.56 . . . . 65.53 111.473 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -71.47 -44.78 64.13 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.82 -0.627 . . . . 73.03 110.053 172.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 93' ' ' PHE . 48.5 mm -67.41 -30.29 48.51 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.282 0 C-N-CA 124.089 0.956 . . . . 71.42 111.864 -176.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -53.71 -49.22 68.55 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.495 0.718 . . . . 73.33 110.644 169.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.3 t -72.42 -30.69 64.86 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 114.892 -1.049 . . . . 71.34 110.913 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -77.04 -15.89 59.46 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.645 0.778 . . . . 75.31 111.089 177.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.65 42.38 26.66 Favored Glycine 0 C--N 1.35 1.335 0 CA-C-O 119.746 -0.475 . . . . 55.02 113.823 172.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -117.07 135.96 53.34 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.499 -0.926 . . . . 75.22 108.499 173.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -68.96 109.75 4.1 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.207 0.603 . . . . 73.14 110.489 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 2.7 p -128.2 135.65 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-O 121.483 0.658 . . . . 73.34 111.584 -174.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.5 ' HB3' HD13 ' A' ' 116' ' ' ILE . 5.0 mmp_? -109.7 141.84 41.72 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.404 1.081 . . . . 74.11 109.126 178.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -128.39 130.78 48.19 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.476 0.71 . . . . 73.52 110.675 -174.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.4 m -151.92 128.08 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.361 1.064 . . . . 73.35 109.833 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.1 m -69.42 -40.16 77.44 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 121.786 0.803 . . . . 74.5 109.263 167.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -78.14 132.02 37.48 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.369 -1.287 . . . . 75.24 110.303 -170.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -65.49 -43.26 90.72 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 114.37 -1.286 . . . . 75.33 113.252 -175.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -76.61 -26.12 54.64 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 122.117 -0.365 . . . . 74.05 110.36 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -69.96 -24.24 63.31 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.629 0.372 . . . . 74.11 111.087 173.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' ' 117' ' ' VAL . . . -69.02 -40.32 78.71 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.593 0.357 . . . . 71.11 110.489 170.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.07 -36.76 85.05 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 123.755 0.659 . . . . 75.52 110.35 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.564 ' HZ3' ' HB2' ' A' ' 115' ' ' LYS . 4.3 ttmp? -58.24 -40.98 83.14 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 124.097 0.873 . . . . 74.22 110.782 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.5 HD13 ' HB3' ' A' ' 105' ' ' ARG . 62.0 mt -80.95 -28.39 11.16 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 C-N-CA 123.045 0.538 . . . . 74.23 111.38 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 113' ' ' ALA . 62.4 t -59.54 -53.6 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 122.876 0.471 . . . . 71.24 109.837 172.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 115' ' ' LYS . 1.3 ptm180 -69.59 -36.36 76.17 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.406 0.441 . . . . 75.54 111.279 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.489 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 19.9 mt-10 -53.77 -54.77 33.5 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 118.719 -0.658 . . . . 62.54 110.946 173.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -49.77 -34.36 19.06 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.718 0.807 . . . . 74.5 112.213 -174.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.58 ' HG3' ' HG3' ' A' ' 25' ' ' GLN . 20.2 mmt -62.21 -38.36 88.85 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.863 0.865 . . . . 74.45 112.225 -177.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -101.3 -25.38 13.99 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.372 0.669 . . . . 73.22 112.118 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -89.51 -24.04 21.89 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.748 0.819 . . . . 74.33 111.361 -171.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.666 ' HA ' ' HB2' ' A' ' 127' ' ' LEU . . . -63.55 -27.21 69.1 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 110.057 -0.349 . . . . 74.33 110.057 174.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.91 108.44 2.48 Favored Glycine 0 C--N 1.355 1.615 0 N-CA-C 110.699 -0.96 . . . . 74.55 110.699 165.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.4 m 67.01 36.23 4.31 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.859 1.264 . . . . 71.35 110.71 -174.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.666 ' HB2' ' HA ' ' A' ' 124' ' ' ALA . 26.2 tp -62.86 147.37 50.34 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.109 -0.95 . . . . 61.25 110.897 175.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.532 ' HG3' ' HG ' ' A' ' 127' ' ' LEU . 33.1 mt-10 75.01 -20.72 0.33 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.93 1.292 . . . . 74.13 112.453 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -67.72 -43.91 78.89 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 107.923 -1.14 . . . . 73.11 107.923 167.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -102.94 88.93 3.29 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.665 -1.152 . . . . 72.15 108.617 171.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -158.94 168.3 27.13 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.129 0.972 . . . . 74.01 108.413 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -138.82 144.69 39.4 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.321 0.648 . . . . 71.22 109.783 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -156.41 -163.69 1.5 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.711 0.804 . . . . 62.41 109.356 -174.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 . . . . . 0 CA--C 1.554 1.101 0 N-CA-C 108.727 -0.842 . . . . 74.43 108.727 173.531 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 109.788 -0.449 . . . . 74.24 109.788 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.562 ' HZ1' HD12 ' A' ' 54' ' ' ILE . 29.5 mtpp -78.2 145.55 35.5 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.234 0.54 . . . . 75.35 110.099 175.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.551 ' HA ' ' HB3' ' A' ' 77' ' ' LYS . 35.9 mt-10 -128.36 118.19 22.74 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.548 1.139 . . . . 72.54 107.947 -176.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.73 112.65 24.83 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.791 -0.818 . . . . 74.23 108.791 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 tt -112.47 117.34 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.935 0.894 . . . . 75.54 109.048 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.497 ' HB3' HD22 ' A' ' 64' ' ' LEU . 6.2 mp -104.09 123.32 47.03 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.595 -0.891 . . . . 74.31 108.595 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 mp -101.89 140.0 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 108.349 -0.982 . . . . 75.01 108.349 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.467 ' HB2' HD13 ' A' ' 64' ' ' LEU . 4.2 t-20 -117.39 108.7 15.89 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 107.627 -1.249 . . . . 70.11 107.627 171.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.2 t -146.58 134.48 21.33 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.053 0.454 . . . . 73.3 109.852 174.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -99.83 2.68 44.16 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.215 -0.902 . . . . 73.33 110.075 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -93.03 102.19 14.53 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.24 1.016 . . . . 73.02 108.823 175.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.48 -34.88 76.21 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.072 0.949 . . . . 72.51 111.969 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -61.83 -38.8 89.52 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.136 0.897 . . . . 74.04 110.154 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.8 tp -67.44 -44.1 79.5 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 123.697 0.623 . . . . 73.23 110.891 176.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.499 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 46.4 mt -54.53 -44.35 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 O-C-N 123.801 0.688 . . . . 74.35 109.858 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -53.88 -49.88 67.56 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.23 1.012 . . . . 73.34 111.428 176.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.539 ' HE2' HD13 ' A' ' 114' ' ' LEU . 57.7 mtpt -67.98 -39.64 83.28 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.282 1.033 . . . . 72.5 111.564 -175.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.5 mt -60.94 -51.83 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 108.91 -0.774 . . . . 75.54 108.91 176.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.61 ' HG2' HG13 ' A' ' 29' ' ' VAL . 93.9 mttt -50.21 -51.15 46.63 Favored 'General case' 0 C--N 1.362 1.113 0 O-C-N 124.527 1.142 . . . . 74.01 110.809 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -54.98 35.31 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.333 1.021 . . . . 73.31 111.596 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 28.2 mm-40 -53.25 -50.05 65.61 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 123.88 0.738 . . . . 64.34 111.237 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.491 HG13 ' HB2' ' A' ' 27' ' ' TYR . 71.9 t -69.29 -32.27 52.92 Favored 'Isoleucine or valine' 0 C--O 1.25 1.128 0 C-N-CA 125.467 1.507 . . . . 73.31 112.632 -172.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.62 -32.53 73.31 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.736 0.815 . . . . 72.22 111.362 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -78.04 -18.49 55.78 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.606 0.362 . . . . 60.31 111.094 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 8.7 mm-40 -92.0 -7.48 48.77 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.167 0.587 . . . . 73.03 110.993 175.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.04 -3.12 85.81 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-O 119.203 -0.776 . . . . 61.32 114.774 172.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.491 ' HB2' HG13 ' A' ' 22' ' ' VAL . 2.2 m-85 -73.28 146.94 45.0 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 118.023 0.912 . . . . 73.0 109.943 -176.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.4 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 0.9 OUTLIER -78.0 110.24 12.77 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 108.436 -0.95 . . . . 70.1 108.436 -179.102 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.61 HG13 ' HG2' ' A' ' 19' ' ' LYS . 38.3 t -83.21 122.15 37.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 122.824 0.449 . . . . 64.33 110.067 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.4 ' NH1' ' HB3' ' A' ' 28' ' ' GLN . 2.4 mpt_? -116.48 150.79 37.3 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.9 0.88 . . . . 74.43 108.796 168.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -127.33 113.58 16.45 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 107.728 -1.212 . . . . 74.32 107.728 162.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.567 HG11 ' HB3' ' A' ' 38' ' ' LEU . 79.7 t -97.38 120.6 46.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.327 -0.99 . . . . 75.13 108.327 175.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -113.15 -18.08 12.22 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.062 0.945 . . . . 73.04 110.374 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -135.05 154.35 51.74 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.584 0.754 . . . . 65.43 110.15 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.8 m -65.77 -20.19 66.17 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.285 1.034 . . . . 74.01 113.103 -172.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -66.76 -44.02 82.52 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.488 0.315 . . . . 72.31 110.648 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.498 ' HB2' HG12 ' A' ' 32' ' ' VAL . 39.7 mt-10 -61.29 -46.22 91.22 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.053 0.941 . . . . 65.31 112.13 -172.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.567 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.6 pp -66.27 -44.22 84.21 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.729 0.643 . . . . 74.34 111.658 -174.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -73.38 -32.29 64.4 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 116.442 -0.345 . . . . 73.0 110.72 -171.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 28.0 mtpp -60.12 -51.87 67.77 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.999 0.812 . . . . 75.42 110.417 174.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -78.36 -27.29 46.9 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.835 -0.62 . . . . 75.41 111.811 -173.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.44 ' SD ' HD13 ' A' ' 45' ' ' LEU . 14.0 mmt -68.61 -31.9 71.39 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.692 0.397 . . . . 75.53 111.187 177.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -62.19 -46.52 88.55 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.691 0.619 . . . . 75.51 109.424 168.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 28.3 mmmt -71.03 -22.25 62.17 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.387 -0.824 . . . . 62.34 112.613 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.44 HD13 ' SD ' ' A' ' 42' ' ' MET . 93.7 mt -76.3 -40.75 50.76 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.694 -0.484 . . . . 75.04 109.694 173.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.56 93.07 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.919 0.888 . . . . 72.25 111.205 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -76.44 -55.63 5.37 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.759 0.824 . . . . 53.32 110.135 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -104.95 94.94 5.53 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.502 -0.772 . . . . 71.23 109.47 -173.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.541 ' HE2' ' HE1' ' A' ' 76' ' ' TYR . 38.0 ttmt -74.19 -64.05 1.1 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 107.925 -1.139 . . . . 74.1 107.925 169.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 26.33 -80.09 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 127.322 2.249 . . . . 74.5 115.748 168.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -68.59 172.72 5.83 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.711 1.204 . . . . 55.21 112.535 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.06 -164.24 0.05 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 125.054 1.342 . . . . 75.44 112.558 -174.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.09 152.47 29.29 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.902 0.881 . . . . 75.24 112.272 -178.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.562 HD12 ' HZ1' ' A' ' 2' ' ' LYS . 3.9 mp -121.67 143.22 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.128 0.971 . . . . 75.11 109.979 -168.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tp -101.02 131.37 46.94 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.039 0.936 . . . . 74.23 109.324 170.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.3 mm -118.08 135.04 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 108.027 -1.101 . . . . 75.13 108.027 174.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.1 mt -123.05 146.64 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 108.524 -0.917 . . . . 73.11 108.524 171.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.3 t -153.66 155.09 35.37 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.728 0.811 . . . . 74.32 109.305 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -95.69 -15.95 22.32 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.606 0.762 . . . . 62.41 110.456 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -113.98 134.84 54.58 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.825 0.85 . . . . 72.03 110.808 -170.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' HA ' HD12 ' A' ' 64' ' ' LEU . 9.4 mptt -77.75 -29.06 50.85 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.055 0.542 . . . . 73.45 112.243 -176.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -68.64 -30.4 69.09 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 110.144 -0.317 . . . . 70.52 110.144 -177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.539 HD11 HG13 ' A' ' 32' ' ' VAL . 62.7 mt -68.15 -46.29 71.2 Favored 'General case' 0 C--O 1.247 0.942 0 C-N-CA 123.526 0.73 . . . . 63.1 109.55 175.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.499 HD11 HD13 ' A' ' 80' ' ' LEU . 76.7 mt -57.56 -50.19 73.92 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 114.675 -1.148 . . . . 74.5 110.289 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 54.6 tptt -51.33 -52.48 45.03 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 124.703 1.252 . . . . 75.41 110.999 -177.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -58.2 -48.07 81.49 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 124.003 0.815 . . . . 75.12 111.811 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.436 ' O ' HG13 ' A' ' 71' ' ' ILE . 76.5 mtm -62.01 -48.73 79.01 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 123.46 0.475 . . . . 72.24 111.346 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 90.7 mt -53.17 -44.06 67.56 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.733 1.213 . . . . 74.44 111.571 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 56.6 mm-40 -66.67 -41.82 87.56 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 115.659 -0.7 . . . . 74.3 110.799 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.53 -51.66 68.51 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.664 0.603 . . . . 74.43 111.273 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 67' ' ' MET . 44.5 mt -59.57 -28.48 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 124.432 1.093 . . . . 75.22 111.339 -175.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 t -60.83 -49.76 76.2 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.68 -0.691 . . . . 75.14 111.117 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.57 -6.56 58.85 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 122.213 -0.304 . . . . 74.45 111.378 178.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.3 mt -78.77 -20.35 50.09 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 109.356 -0.609 . . . . 74.44 109.356 168.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.35 20.52 78.76 Favored Glycine 0 C--N 1.35 1.344 0 CA-C-N 115.63 -0.713 . . . . 63.34 113.355 173.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.541 ' HE1' ' HE2' ' A' ' 49' ' ' LYS . 15.1 m-85 -92.05 161.43 14.78 Favored 'General case' 0 C--O 1.24 0.603 0 C-N-CA 123.268 0.627 . . . . 74.42 109.467 174.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.551 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 24.5 ttmm -67.55 111.49 4.18 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.655 -0.702 . . . . 74.44 110.155 -178.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.6 t -90.83 123.97 43.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 N-CA-C 109.764 -0.458 . . . . 70.2 109.764 -177.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -136.95 141.78 42.63 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.957 -1.127 . . . . 74.34 107.957 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.499 HD13 HD11 ' A' ' 64' ' ' LEU . 50.2 tp -131.02 148.17 52.72 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.67 -0.863 . . . . 71.34 108.67 175.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.532 HD13 HG22 ' A' ' 116' ' ' ILE . 19.4 tp -138.83 135.1 34.21 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 105.867 -1.901 . . . . 64.22 105.867 175.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.676 HD12 ' HB3' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -140.16 137.07 34.11 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.183 0.516 . . . . 73.41 110.748 178.063 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -145.24 142.3 29.39 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 114.792 -1.095 . . . . 74.52 109.124 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -165.49 161.38 18.63 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 115.093 -0.958 . . . . 75.43 109.063 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -63.99 -32.05 73.45 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.64 0.776 . . . . 74.24 110.228 174.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -101.31 111.99 24.37 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.704 0.801 . . . . 71.41 109.075 171.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.539 ' HG3' HD13 ' A' ' 90' ' ' LEU . 31.5 tt0 -85.38 -3.61 58.9 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 122.998 0.519 . . . . 74.14 111.264 -178.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -75.33 -27.15 59.13 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.674 0.389 . . . . 74.41 110.664 176.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -63.25 -43.44 98.0 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 121.687 0.756 . . . . 62.42 110.483 168.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.676 ' HB3' HD12 ' A' ' 82' ' ' LEU . 52.9 mt -71.07 -39.44 72.19 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.025 -1.443 . . . . 72.44 112.148 -170.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.54 -41.02 66.27 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.075 0.55 . . . . 72.43 111.857 -175.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -62.33 -42.66 99.56 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.361 0.664 . . . . 71.34 111.421 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.472 ' O ' HG12 ' A' ' 97' ' ' ILE . 10.1 t80 -68.28 -51.38 45.59 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.483 -0.781 . . . . 71.34 109.7 176.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.478 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 27.9 ttpp -59.06 -48.75 80.45 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 113.201 0.815 . . . . 74.02 113.201 -171.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.9 ptt85 -58.85 -27.05 64.77 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 112.13 0.418 . . . . 64.13 112.13 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.33 -35.13 25.44 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.233 0.613 . . . . 73.12 110.837 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 93' ' ' PHE . 33.4 mm -69.42 -38.23 76.75 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.371 0 C-N-CA 123.506 0.722 . . . . 73.52 111.265 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.43 -27.8 68.78 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 124.55 1.14 . . . . 72.33 111.665 171.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.7 t -67.82 -36.72 80.88 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.918 0.487 . . . . 74.44 110.487 176.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -71.93 -25.37 61.87 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 110.161 -0.311 . . . . 70.44 110.161 169.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.76 45.14 3.22 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 116.336 -0.393 . . . . 75.45 112.949 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.455 ' HB2' HG22 ' A' ' 97' ' ' ILE . 17.7 m-85 -104.37 145.45 30.24 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.484 -0.561 . . . . 74.22 109.484 177.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.512 ' HG2' ' HZ1' ' A' ' 123' ' ' LYS . 10.6 tp10 -78.25 96.2 5.18 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.032 -0.729 . . . . 71.33 109.032 177.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 1.8 p -119.52 130.84 73.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 C-N-CA 123.874 0.87 . . . . 74.11 110.848 -175.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -110.77 144.1 40.27 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 123.052 0.541 . . . . 73.22 110.514 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.478 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 28.2 ttpp -117.85 125.23 50.14 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.524 1.13 . . . . 72.34 109.668 -177.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 83' ' ' GLN . 21.1 m -142.91 143.38 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.312 1.045 . . . . 74.1 108.655 178.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.7 m -87.44 -26.27 23.35 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.375 0.607 . . . . 65.12 110.188 169.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.3 144.73 26.66 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.732 0.813 . . . . 71.03 112.495 -167.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -58.36 -56.16 25.66 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.823 1.249 . . . . 74.0 110.149 168.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -64.37 -33.76 76.6 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 114.788 -1.096 . . . . 51.34 112.397 -173.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.456 ' O ' HG12 ' A' ' 116' ' ' ILE . 44.2 mm-40 -76.43 -29.62 57.08 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 122.388 0.275 . . . . 64.01 110.903 178.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.421 ' O ' HG21 ' A' ' 117' ' ' VAL . . . -66.74 -40.28 88.25 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.624 0.37 . . . . 63.34 110.311 173.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.539 HD13 ' HE2' ' A' ' 17' ' ' LYS . 92.1 mt -60.35 -41.76 94.34 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.556 0.742 . . . . 74.14 110.249 173.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.563 ' HZ2' ' HB2' ' A' ' 115' ' ' LYS . 4.7 ttmp? -60.61 -49.49 77.32 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.207 0.942 . . . . 74.35 110.245 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.532 HG22 HD13 ' A' ' 81' ' ' LEU . 43.1 mm -59.64 -39.39 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 123.186 0.595 . . . . 73.13 111.71 -175.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 113' ' ' ALA . 94.5 t -57.49 -41.98 79.94 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 122.999 0.52 . . . . 70.12 110.379 177.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -71.91 -47.63 51.28 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.082 0.953 . . . . 73.11 110.862 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 17.1 mm-40 -54.69 -40.48 69.18 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.178 0.991 . . . . 71.13 111.344 178.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.476 ' HE2' ' HE2' ' A' ' 27' ' ' TYR . 25.5 t80 -53.78 -54.08 43.33 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 124.272 0.983 . . . . 75.2 111.328 177.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.414 ' HG3' ' O ' ' A' ' 117' ' ' VAL . 53.6 mtt -61.58 -25.12 67.12 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 124.002 0.814 . . . . 70.31 112.581 -168.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -95.16 -39.53 10.06 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.037 0.535 . . . . 73.42 111.285 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.512 ' HZ1' ' HG2' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -73.32 -16.7 61.36 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.229 0.538 . . . . 74.01 110.902 -177.194 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.67 -2.99 25.44 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.448 1.099 . . . . 64.54 111.529 175.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -82.38 48.48 3.96 Favored Glycine 0 C--N 1.351 1.39 0 N-CA-C 111.858 -0.497 . . . . 73.12 111.858 169.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.7 t -165.72 176.16 8.23 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 124.851 1.26 . . . . 72.11 108.551 -174.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 61.3 tp -105.88 142.45 35.58 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.857 0.863 . . . . 74.24 109.441 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -80.64 74.89 7.55 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.631 -0.877 . . . . 62.21 108.631 173.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -94.82 16.67 15.3 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.304 0.642 . . . . 75.04 110.469 -176.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -77.48 76.8 4.01 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 121.403 0.621 . . . . 75.53 110.059 173.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -100.93 -52.04 3.4 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 108.253 -1.017 . . . . 74.11 108.253 172.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -158.22 108.3 2.1 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.19 -0.914 . . . . 74.14 109.889 177.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -125.0 -40.09 2.19 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 108.156 -1.053 . . . . 75.34 108.156 170.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 . . . . . 0 C--O 1.251 1.171 0 CA-C-N 114.481 -1.236 . . . . 75.43 108.139 165.4 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptp . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.884 0.373 . . . . 74.4 110.574 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 76' ' ' TYR . 9.5 ptpp? -134.84 132.82 39.07 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 107.069 -1.456 . . . . 73.2 107.069 164.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.522 ' HB2' ' HD2' ' A' ' 53' ' ' LYS . 1.4 mp0 -84.17 135.05 34.53 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.263 0.554 . . . . 72.0 110.215 -176.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -110.76 112.91 25.11 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 107.985 -1.116 . . . . 64.44 107.985 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 tt -106.6 122.4 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 108.762 -0.829 . . . . 73.5 108.762 176.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.63 123.02 48.75 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.368 -0.975 . . . . 74.03 108.368 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.637 HG23 HD11 ' A' ' 18' ' ' ILE . 2.4 mp -103.85 123.96 57.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 108.911 -0.774 . . . . 73.32 108.911 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.5 ' HB2' HD12 ' A' ' 64' ' ' LEU . 3.7 t-20 -96.66 119.47 35.19 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 106.15 -1.796 . . . . 74.23 106.15 166.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.521 HG23 HG12 ' A' ' 15' ' ' ILE . 2.3 t -143.58 117.74 9.52 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.385 -0.598 . . . . 73.23 109.385 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -107.44 6.36 28.15 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.393 -0.821 . . . . 75.34 111.294 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.4 ' O ' HG13 ' A' ' 15' ' ' ILE . 50.0 t-20 -92.05 108.67 20.11 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.106 -1.442 . . . . 75.41 107.106 166.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.87 -47.3 80.74 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.565 1.146 . . . . 63.23 111.586 -175.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.15 -37.66 88.27 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.158 -0.928 . . . . 73.23 110.413 -178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.0 tp -66.45 -38.15 86.74 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 118.711 -0.662 . . . . 73.41 111.729 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.521 HG12 HG23 ' A' ' 9' ' ' THR . 16.8 mt -54.01 -44.16 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 CA-C-O 121.232 0.539 . . . . 75.33 109.934 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -63.08 -41.32 99.4 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 114.392 -1.276 . . . . 73.41 111.099 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -70.89 -38.29 73.04 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.473 -0.785 . . . . 75.4 111.392 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.637 HD11 HG23 ' A' ' 7' ' ' ILE . 98.9 mt -58.76 -50.12 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.533 0.733 . . . . 61.55 109.224 177.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.607 ' HG2' HG11 ' A' ' 29' ' ' VAL . 99.5 mttt -49.93 -43.77 50.03 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 124.601 1.188 . . . . 72.24 111.556 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -70.35 -36.87 74.46 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.756 0.823 . . . . 75.02 112.441 -177.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 18.5 mm-40 -63.39 -39.42 94.45 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 121.047 0.451 . . . . 63.5 110.275 174.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 18' ' ' ILE . 57.4 t -73.81 -29.4 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.369 1.067 . . . . 72.22 111.101 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -71.01 -26.08 62.96 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.547 0.739 . . . . 75.54 110.631 173.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -71.66 -35.51 70.38 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.114 0.566 . . . . 75.3 110.003 172.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 76.3 mm-40 -82.75 -24.4 33.54 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.582 0.753 . . . . 74.24 111.172 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.6 22.21 58.69 Favored Glycine 0 C--N 1.346 1.089 0 CA-C-N 115.831 -0.622 . . . . 74.23 114.068 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.472 ' HB2' HG12 ' A' ' 22' ' ' VAL . 1.7 m-85 -90.52 161.39 15.51 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 109.53 -0.545 . . . . 74.33 109.53 175.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -91.17 121.21 32.74 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.518 0.727 . . . . 74.41 110.836 -175.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.607 HG11 ' HG2' ' A' ' 19' ' ' LYS . 91.4 t -92.19 122.76 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 122.874 0.47 . . . . 74.34 110.369 175.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -117.77 106.58 13.18 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 108.123 -1.066 . . . . 74.24 108.123 167.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -86.56 117.35 25.28 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.348 -0.982 . . . . 73.12 108.348 175.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.526 HG11 ' HB3' ' A' ' 38' ' ' LEU . 80.0 t -101.98 120.87 52.26 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 CA-C-N 115.25 -0.886 . . . . 74.34 109.71 -175.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -115.03 -21.74 9.89 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.698 -1.137 . . . . 72.42 109.332 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' HB2' ' HG2' ' A' ' 37' ' ' GLU . 13.9 m-20 -119.93 145.83 46.37 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.165 0.986 . . . . 74.43 110.269 -175.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.9 p -70.4 -21.07 62.89 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.086 0.954 . . . . 72.22 112.712 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -90.76 -28.13 18.46 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 122.239 -0.288 . . . . 72.5 111.409 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.433 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 32.2 mm-40 -63.23 -33.89 76.47 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.444 0.298 . . . . 72.02 111.206 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.526 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.6 pp -65.16 -49.02 71.45 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 123.292 0.37 . . . . 70.42 110.402 178.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -69.72 -28.32 65.72 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 111.611 0.226 . . . . 75.11 111.611 -171.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -64.46 -42.3 96.02 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.531 0.732 . . . . 73.1 110.299 173.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 53.6 mm-40 -76.36 -25.46 54.67 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 112.354 0.501 . . . . 62.21 112.354 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.509 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 80.9 mmm -66.43 -31.36 72.06 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 110.231 -0.285 . . . . 74.3 110.231 173.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -68.27 -42.04 80.16 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.365 0.666 . . . . 74.24 110.446 173.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -58.94 -35.54 73.29 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.966 0.906 . . . . 75.43 111.377 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 73.4 mt -61.05 -48.96 79.33 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.597 0.759 . . . . 75.31 110.873 177.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.427 ' HB2' HD21 ' A' ' 74' ' ' LEU . . . -69.47 -56.12 8.32 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.045 0.84 . . . . 70.2 111.493 -176.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.65 -50.79 72.11 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.293 1.037 . . . . 74.04 111.623 -173.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -83.05 100.34 10.43 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 107.945 -1.132 . . . . 72.54 107.945 173.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -79.28 -56.77 4.1 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.453 0.301 . . . . 74.32 110.426 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -92.82 91.09 7.29 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.91 0.484 . . . . 65.33 110.656 -176.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -159.96 161.04 34.08 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 123.584 0.754 . . . . 73.31 109.566 164.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.57 133.95 53.95 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.553 0.741 . . . . 74.34 111.211 -174.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.522 ' HD2' ' HB2' ' A' ' 3' ' ' GLU . 46.0 pttt -56.2 135.08 53.43 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.093 0.957 . . . . 73.5 111.383 -176.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.467 ' N ' HD13 ' A' ' 54' ' ' ILE . 3.0 mp -96.43 130.76 44.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 CA-C-N 115.215 -0.902 . . . . 64.21 110.09 -160.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 tt -90.94 113.24 25.42 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.352 -0.84 . . . . 65.43 109.132 174.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.427 HG21 ' SD ' ' A' ' 67' ' ' MET . 26.9 mm -96.66 136.24 28.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 N-CA-C 108.549 -0.908 . . . . 74.12 108.549 176.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.3 mt -113.61 149.62 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 107.244 -1.391 . . . . 62.23 107.244 166.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.4 ' HB2' ' HE1' ' A' ' 67' ' ' MET . 34.4 t -151.73 154.37 36.18 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.394 -0.595 . . . . 70.03 109.394 171.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -90.8 -20.0 22.83 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.351 -0.84 . . . . 55.22 111.139 -173.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -134.15 145.71 49.52 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 122.604 0.362 . . . . 65.41 111.444 -166.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.712 ' HZ3' ' HB3' ' A' ' 89' ' ' GLU . 87.3 mttt -70.57 -34.93 72.74 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.595 1.158 . . . . 74.54 112.345 -173.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.01 -35.98 82.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.881 0.472 . . . . 75.41 110.69 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.421 HD12 HG13 ' A' ' 32' ' ' VAL . 50.9 mt -67.93 -51.72 44.48 Favored 'General case' 0 C--O 1.244 0.784 0 N-CA-C 109.535 -0.543 . . . . 64.44 109.535 179.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.5 HD12 ' HB2' ' A' ' 8' ' ' ASN . 74.8 mt -50.41 -46.79 56.57 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-N 114.771 -1.104 . . . . 72.41 111.278 176.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -61.09 -48.52 81.31 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 114.674 -1.148 . . . . 73.45 111.03 -171.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -60.25 -41.24 92.8 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.872 0.733 . . . . 74.31 111.054 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.481 ' O ' HG13 ' A' ' 71' ' ' ILE . 32.0 mtt -57.3 -47.2 82.09 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-O 118.762 -0.637 . . . . 73.22 110.43 176.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 41.9 mt -55.87 -41.61 74.67 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.684 0.794 . . . . 71.23 111.564 -176.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.37 -42.84 95.97 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.357 -0.838 . . . . 70.35 109.889 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.68 -40.91 79.89 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 115.277 -0.874 . . . . 75.31 111.935 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 67' ' ' MET . 38.7 mt -63.06 -37.55 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 C-N-CA 123.371 0.669 . . . . 75.43 109.409 178.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.7 t -60.19 -48.18 82.8 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 114.623 -1.171 . . . . 65.23 110.834 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.638 ' HZ3' ' HB2' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -80.23 -15.53 56.77 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 112.204 0.446 . . . . 74.53 112.204 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' A' ' 46' ' ' ALA . 85.2 mt -78.67 -22.83 46.17 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 109.425 -0.583 . . . . 74.34 109.425 171.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.84 9.16 68.61 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 116.18 -0.463 . . . . 70.24 113.247 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 2' ' ' LYS . 21.9 m-85 -85.28 171.81 11.62 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.271 0.628 . . . . 65.32 110.403 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -83.0 131.68 35.18 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.316 -0.402 . . . . 74.44 110.15 177.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.8 t -89.91 129.01 41.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 123.576 0.75 . . . . 71.34 109.191 171.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -136.22 127.0 27.37 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 105.922 -1.881 . . . . 73.3 105.922 169.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.1 tp -119.88 147.9 44.14 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.175 -1.046 . . . . 75.22 108.175 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.5 tp -145.7 119.42 9.21 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 106.166 -1.79 . . . . 74.11 106.166 178.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' A' ' 90' ' ' LEU . 0.9 OUTLIER -126.75 141.67 51.77 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.041 0.448 . . . . 75.31 111.234 -174.401 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.44 148.07 35.55 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 114.919 -1.037 . . . . 72.15 108.475 177.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.467 ' N ' HD12 ' A' ' 90' ' ' LEU . 28.7 t70 -164.47 158.42 18.33 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 114.771 -1.104 . . . . 71.13 108.129 174.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.86 -16.01 62.67 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.58 0.752 . . . . 73.14 110.588 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -117.47 97.13 5.72 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.479 1.111 . . . . 73.14 108.515 169.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -70.84 -16.46 62.72 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.314 0.646 . . . . 73.01 112.098 -176.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -66.76 -25.63 66.58 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.782 0.433 . . . . 73.34 110.704 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.712 ' HB3' ' HZ3' ' A' ' 61' ' ' LYS . 18.6 mm-40 -73.7 -32.38 63.89 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.61 0.764 . . . . 71.23 110.967 175.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.652 ' HB3' HD12 ' A' ' 82' ' ' LEU . 89.2 mt -74.52 -47.54 32.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.07 0.948 . . . . 75.14 111.692 -175.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.85 -34.33 77.68 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.812 0.695 . . . . 55.31 112.145 -174.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -69.05 -45.68 69.8 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 122.818 0.447 . . . . 73.54 110.946 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.496 ' O ' HG12 ' A' ' 97' ' ' ILE . 30.6 t80 -61.08 -41.77 97.26 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 109.553 -0.536 . . . . 73.12 109.553 174.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.527 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 29.0 ttpp -66.18 -42.68 88.57 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.817 0.847 . . . . 74.32 112.103 -172.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -63.89 -25.91 68.37 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.392 0.277 . . . . 73.23 111.664 -177.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -68.47 -48.54 64.22 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.203 0.601 . . . . 75.4 110.409 169.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 93' ' ' PHE . 38.1 mm -62.31 -44.08 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 C-N-CA 124.129 0.972 . . . . 74.34 110.994 -175.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.36 -38.79 90.91 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.694 1.198 . . . . 71.12 111.552 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.8 t -66.91 -32.07 73.08 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.017 0.527 . . . . 74.13 110.931 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -88.61 7.08 35.13 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.855 0.862 . . . . 73.22 111.514 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 72.13 25.46 74.57 Favored Glycine 0 C--N 1.348 1.241 0 O-C-N 123.302 0.377 . . . . 64.04 113.84 174.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -96.78 128.54 43.83 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 109.34 -0.615 . . . . 75.23 109.34 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.54 123.15 19.24 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.395 0.678 . . . . 74.54 110.422 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.0 p -141.1 141.94 30.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 123.729 0.812 . . . . 55.21 111.126 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -121.88 142.96 49.73 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.932 0.893 . . . . 74.25 109.026 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.527 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 26.0 ttpp -115.14 138.13 51.25 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.508 0.723 . . . . 75.42 110.964 -177.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.22 -179.16 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.186 0.994 . . . . 74.24 108.961 173.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.8 m -140.21 -42.89 0.42 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.196 0.998 . . . . 73.34 108.376 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.85 147.08 45.76 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 114.527 -1.215 . . . . 65.3 111.115 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -55.16 -50.04 70.31 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 114.426 -1.261 . . . . 74.01 110.079 170.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -65.27 -38.25 89.7 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.051 -0.977 . . . . 74.14 112.001 -175.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -75.94 -25.02 55.55 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.797 0.439 . . . . 73.03 111.278 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.44 -50.74 24.03 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 122.877 0.471 . . . . 63.24 110.377 175.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.8 mt -60.81 -34.85 75.15 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.758 0.823 . . . . 73.23 110.19 177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -55.13 -59.04 5.31 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 114.583 -1.189 . . . . 73.24 111.053 176.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.513 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 32.3 mt -72.57 -25.28 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.161 0 C-N-CA 122.753 0.421 . . . . 75.25 111.938 -174.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 70.9 t -58.17 -48.71 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 N-CA-C 109.971 -0.381 . . . . 72.3 109.971 168.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -70.17 -39.75 75.1 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.521 0.728 . . . . 74.25 111.261 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.513 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 40.1 mm-40 -61.68 -38.37 87.55 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 123.682 0.793 . . . . 75.32 111.868 178.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -53.19 -41.39 65.21 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.762 0.425 . . . . 74.44 110.497 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 16.5 mmt -60.07 -37.1 78.88 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 124.086 0.866 . . . . 63.41 111.102 -174.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -92.05 -26.72 18.2 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.159 0.584 . . . . 74.23 112.041 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -83.55 -19.36 35.77 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.327 0.651 . . . . 73.21 111.086 -178.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -88.77 15.38 8.39 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.772 0.829 . . . . 62.23 110.495 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 76.31 75.83 0.85 Allowed Glycine 0 C--N 1.347 1.183 0 CA-C-N 115.724 -0.671 . . . . 74.22 112.243 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.7 p -74.97 71.2 2.05 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-O 122.171 0.986 . . . . 65.2 108.565 169.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.1 mt -73.41 113.56 10.64 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 114.308 -1.315 . . . . 72.22 109.682 -171.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -76.99 75.7 3.56 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.524 0.678 . . . . 75.34 109.565 175.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -76.05 -29.89 58.2 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 106.979 -1.489 . . . . 73.31 106.979 168.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -113.25 101.64 9.6 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 106.772 -1.566 . . . . 74.44 106.772 165.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -72.62 86.37 1.2 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 108.587 -0.894 . . . . 72.2 108.587 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -106.57 114.81 29.14 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 114.569 -1.196 . . . . 74.42 111.488 -167.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -74.54 168.39 19.85 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 109.511 -0.552 . . . . 73.51 109.511 170.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 . . . . . 0 CA--C 1.556 1.191 0 CA-C-O 119.121 -0.466 . . . . 74.14 110.721 -179.68 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 120.949 0.404 . . . . 62.41 109.912 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 76' ' ' TYR . 2.0 tppp? -149.75 120.9 7.77 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 105.903 -1.888 . . . . 65.32 105.903 177.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -95.2 128.18 41.83 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.565 -0.532 . . . . 71.14 109.565 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.485 HD13 HD11 ' A' ' 45' ' ' LEU . 3.5 mm? -123.58 110.49 15.09 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 107.428 -1.323 . . . . 75.33 107.428 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.407 HG22 ' HG ' ' A' ' 55' ' ' LEU . 8.4 tt -97.15 124.86 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 108.045 -1.095 . . . . 71.34 108.045 170.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.538 ' HB3' HD21 ' A' ' 64' ' ' LEU . 5.0 mp -106.71 122.03 45.54 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 107.885 -1.154 . . . . 74.42 107.885 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.463 HG21 HD11 ' A' ' 18' ' ' ILE . 2.4 mp -101.29 143.93 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 108.509 -0.923 . . . . 75.34 108.509 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.48 ' HB2' HD11 ' A' ' 64' ' ' LEU . 22.2 t-20 -118.99 109.07 15.52 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 109.143 -0.688 . . . . 73.33 109.143 172.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.55 HG22 HD12 ' A' ' 15' ' ' ILE . 2.0 t -146.08 122.84 11.22 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.428 -0.953 . . . . 72.51 108.428 170.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -86.16 -13.51 46.85 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.495 0.718 . . . . 73.22 109.245 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -75.17 102.75 5.07 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.245 0.618 . . . . 74.14 109.925 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 2.8 m-20 -45.05 -44.9 10.55 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 125.212 1.405 . . . . 75.33 112.326 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -62.53 -41.53 98.93 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.829 0.852 . . . . 71.51 111.489 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.1 tp -69.47 -36.32 76.45 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.841 -0.618 . . . . 71.04 110.762 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.55 HD12 HG22 ' A' ' 9' ' ' THR . 3.6 mm -53.21 -45.62 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 109.539 -0.541 . . . . 72.35 109.539 176.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 69.5 mmtt -58.69 -46.22 87.73 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.764 -1.107 . . . . 74.13 110.765 -176.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.441 ' HE2' HD13 ' A' ' 114' ' ' LEU . 50.9 mtpt -72.72 -35.44 67.56 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 114.553 -1.203 . . . . 65.51 111.076 -174.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.597 ' O ' HG21 ' A' ' 22' ' ' VAL . 76.6 mt -63.48 -46.72 94.41 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 N-CA-C 109.393 -0.595 . . . . 74.32 109.393 175.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.488 ' HE3' HG21 ' A' ' 15' ' ' ILE . 97.3 mttt -55.14 -36.4 65.73 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.124 0.57 . . . . 73.52 111.179 177.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -62.49 -47.99 81.53 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.5 0.72 . . . . 74.3 110.935 174.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 24.9 mm-40 -57.77 -46.35 84.68 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.951 0.782 . . . . 74.31 110.013 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.597 HG21 ' O ' ' A' ' 18' ' ' ILE . 21.7 t -64.23 -32.87 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.032 0.933 . . . . 71.3 110.867 -175.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -73.09 -35.29 66.59 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.033 0.533 . . . . 72.04 110.939 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -68.22 -34.91 77.11 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.462 0.705 . . . . 74.45 109.992 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 79.3 mm-40 -87.14 -22.68 25.19 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 114.927 -1.033 . . . . 63.24 111.17 -177.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.72 49.05 11.22 Favored Glycine 0 C--N 1.343 0.947 0 CA-C-N 116.02 -0.536 . . . . 73.43 113.286 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.414 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 2.7 m-85 -111.66 169.72 8.63 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.53 1.132 . . . . 72.41 108.962 172.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.483 ' HB2' HG21 ' A' ' 54' ' ' ILE . 65.5 mt-30 -87.15 118.61 26.67 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 122.57 0.348 . . . . 73.24 110.423 -178.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.6 t -79.48 118.06 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.173 0.589 . . . . 72.41 110.521 177.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -126.92 133.02 50.74 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.254 1.022 . . . . 75.11 108.443 167.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -130.57 117.09 19.05 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.921 0.488 . . . . 72.04 109.97 170.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.508 HG12 ' HB3' ' A' ' 38' ' ' LEU . 27.3 t -84.32 123.2 38.81 Favored 'Isoleucine or valine' 0 C--O 1.242 0.69 0 C-N-CA 124.041 0.936 . . . . 75.31 109.518 176.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -106.34 -24.65 12.21 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.506 0.722 . . . . 74.45 110.002 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -139.75 150.07 44.34 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.958 0.903 . . . . 73.33 110.474 -170.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 m -65.76 -24.64 66.99 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.009 0.924 . . . . 73.53 113.096 -173.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -76.16 -30.25 58.05 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 122.413 0.285 . . . . 74.1 110.324 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -66.01 -39.86 90.61 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.726 0.41 . . . . 74.43 111.531 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.508 ' HB3' HG12 ' A' ' 32' ' ' VAL . 4.1 pp -67.08 -40.53 87.0 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 123.386 0.429 . . . . 75.3 111.856 -172.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -63.7 -34.44 77.87 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.925 0.393 . . . . 74.44 110.378 -176.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -72.36 -44.67 62.23 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.092 0.957 . . . . 73.33 111.134 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 11.0 pt-20 -78.21 -29.84 48.59 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 119.438 -0.315 . . . . 75.24 111.679 -176.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 34.4 mmt -58.8 -31.91 68.85 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 122.841 0.456 . . . . 73.11 110.261 171.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -70.03 -47.61 61.38 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 115.954 -0.566 . . . . 74.43 110.193 174.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -52.87 -44.18 66.65 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 123.83 0.852 . . . . 64.32 111.216 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 56.6 mt -66.79 -29.7 69.71 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.187 0.995 . . . . 75.41 111.98 -177.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.09 -26.75 16.61 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.88 0.872 . . . . 73.32 112.236 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.03 -42.51 16.09 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.414 0.685 . . . . 73.13 109.991 -177.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -71.59 117.62 13.39 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 108.07 -1.085 . . . . 74.2 108.07 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.46 ' H ' ' HD2' ' A' ' 49' ' ' LYS . 3.1 mptp? -68.34 -63.79 0.99 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.905 0.882 . . . . 74.52 111.065 -164.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -131.91 111.55 11.67 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 109.193 -0.669 . . . . 74.14 109.193 -178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -149.68 172.65 14.73 Favored 'General case' 0 C--O 1.246 0.868 0 C-N-CA 124.936 1.294 . . . . 61.34 107.651 169.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -68.45 158.72 33.12 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.087 0.47 . . . . 72.34 111.532 -174.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -70.67 146.56 49.87 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 114.913 -1.04 . . . . 75.4 110.975 -175.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.483 HG21 ' HB2' ' A' ' 28' ' ' GLN . 3.5 mp -113.16 143.77 22.17 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-N 115.48 -0.782 . . . . 64.13 109.765 -163.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.549 HD13 HG22 ' A' ' 22' ' ' VAL . 6.2 tt -101.75 111.15 23.31 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 108.502 -0.925 . . . . 70.42 108.502 173.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.0 mm -96.46 141.21 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 124.212 1.005 . . . . 72.0 108.373 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.3 mt -125.1 157.77 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 106.681 -1.6 . . . . 74.21 106.681 171.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.4 m -141.62 145.08 34.59 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 123.124 0.57 . . . . 54.4 109.623 167.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -78.12 -13.8 59.72 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 114.686 -1.143 . . . . 72.01 110.085 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -137.43 155.67 49.07 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.557 1.143 . . . . 73.23 110.373 -172.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -87.26 -31.0 20.49 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.06 0.944 . . . . 75.31 112.582 -173.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -70.49 -26.16 63.48 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.856 0.462 . . . . 71.01 110.817 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.2 mt -62.75 -43.54 98.53 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 121.643 0.735 . . . . 64.12 109.603 173.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 6' ' ' LEU . 92.8 mt -64.75 -47.59 77.65 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 114.428 -1.26 . . . . 70.24 110.964 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -53.16 -45.0 68.25 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 123.887 0.742 . . . . 74.45 110.906 -173.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -61.39 -56.55 19.02 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.469 -0.787 . . . . 74.33 111.348 173.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.463 ' SD ' ' HB2' ' A' ' 38' ' ' LEU . 76.1 mtm -62.3 -38.5 89.65 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 113.42 0.896 . . . . 74.23 113.42 -172.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.497 HD21 HD11 ' A' ' 80' ' ' LEU . 78.1 mt -52.97 -43.23 66.24 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.774 0.83 . . . . 65.21 110.874 177.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -81.55 -27.01 34.56 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 114.813 -1.085 . . . . 63.55 111.253 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 85.9 mt -71.05 -51.76 23.44 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.005 0.522 . . . . 74.2 110.399 176.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 70.7 mt -60.06 -32.19 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.443 1.097 . . . . 74.05 110.492 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.1 t -66.77 -43.89 82.83 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.591 -0.732 . . . . 73.21 111.07 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -16.33 57.79 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 117.725 0.239 . . . . 73.5 111.27 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 83.3 mt -70.66 -31.48 68.42 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 108.63 -0.878 . . . . 75.41 108.63 167.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.47 25.63 25.31 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.181 -0.918 . . . . 61.12 111.774 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 2' ' ' LYS . 21.2 m-30 -92.73 167.73 11.69 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 123.79 0.836 . . . . 71.4 111.042 175.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.511 ' HD3' HD23 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -81.08 118.99 22.98 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.244 -0.889 . . . . 64.23 109.404 177.362 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.6 t -101.04 128.56 53.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.341 0.656 . . . . 74.33 110.127 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -125.44 151.0 46.79 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 106.297 -1.742 . . . . 71.44 106.297 171.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.511 HD13 HD12 ' A' ' 64' ' ' LEU . 43.8 tp -139.32 148.06 42.43 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.462 0.705 . . . . 75.43 109.59 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.521 HD13 HG21 ' A' ' 116' ' ' ILE . 35.5 tp -139.84 134.8 32.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.258 -1.756 . . . . 73.5 106.258 174.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.35 142.12 39.69 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 120.937 0.399 . . . . 74.12 111.085 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.01 147.14 39.98 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.386 -0.824 . . . . 74.12 109.542 178.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -146.39 175.17 10.74 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 124.638 1.175 . . . . 70.31 108.829 173.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -78.12 -37.45 46.21 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.208 -0.905 . . . . 75.21 108.836 168.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -98.25 137.98 36.19 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.204 1.002 . . . . 72.01 110.122 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.413 ' HA ' HD12 ' A' ' 90' ' ' LEU . 2.3 tm-20 -88.88 -27.62 20.89 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.171 0.588 . . . . 64.11 110.888 -174.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -62.51 -36.03 81.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 122.003 -0.435 . . . . 73.11 110.493 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -64.18 -42.18 96.81 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.121 0.568 . . . . 73.2 110.386 174.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 87' ' ' GLU . 82.1 mt -61.3 -55.46 31.56 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.195 0.998 . . . . 73.25 112.337 -176.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -68.05 -34.88 77.3 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 123.716 0.635 . . . . 75.55 111.685 -172.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 1.4 pp20? -74.33 -38.33 63.31 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 110.406 -0.22 . . . . 74.4 110.406 -176.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.438 ' O ' HG12 ' A' ' 97' ' ' ILE . 10.9 t80 -71.68 -41.02 69.17 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.955 0.502 . . . . 74.42 110.177 176.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.551 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 19.4 ttpp -62.82 -43.06 99.8 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.199 0.599 . . . . 74.24 111.307 -177.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -68.16 -21.6 64.9 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 115.899 -0.591 . . . . 74.33 111.692 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 32.6 mmtp -65.71 -47.07 76.59 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.943 -0.762 . . . . 72.42 108.943 170.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 93' ' ' PHE . 24.6 mm -68.5 -32.6 56.0 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 CA-C-N 114.368 -1.287 . . . . 72.31 110.973 -174.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -53.74 -48.83 69.27 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.634 0.773 . . . . 70.21 110.557 168.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.1 m -67.08 -40.07 86.92 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.886 0.875 . . . . 72.35 111.299 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -69.86 -20.68 63.4 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.982 0.913 . . . . 63.55 111.785 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.05 32.15 7.26 Favored Glycine 0 C--N 1.342 0.887 0 N-CA-C 113.869 0.307 . . . . 73.33 113.869 172.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -121.45 130.77 53.77 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.357 0.663 . . . . 73.31 109.233 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.63 123.19 23.54 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 109.543 -0.54 . . . . 75.4 109.543 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.5 p -135.82 136.77 49.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.649 0.78 . . . . 74.34 111.346 -170.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -109.24 155.8 20.67 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 124.283 1.033 . . . . 74.01 110.142 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.551 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -136.31 127.72 28.48 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.072 -0.967 . . . . 75.4 109.397 -171.708 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.1 m -140.02 143.97 28.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.163 0.985 . . . . 74.33 109.478 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.8 m -102.59 -21.36 14.18 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.088 0.555 . . . . 72.21 109.591 168.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -90.15 143.11 27.07 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.639 0.776 . . . . 74.25 112.022 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -50.4 74.19 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.762 1.225 . . . . 75.05 110.544 169.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 11.4 pt-20 -56.7 -45.33 81.89 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 124.078 0.861 . . . . 74.13 111.026 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.46 ' O ' HG12 ' A' ' 116' ' ' ILE . 17.3 mm-40 -70.77 -30.2 66.62 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.344 0.658 . . . . 73.43 111.594 -176.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.57 89.98 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.961 0.504 . . . . 73.45 110.484 176.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.441 HD13 ' HE2' ' A' ' 17' ' ' LYS . 70.5 mt -66.83 -32.54 73.88 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.617 -0.72 . . . . 74.02 110.329 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 32.7 mmmt -63.62 -48.31 77.86 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 123.656 0.597 . . . . 74.21 110.431 175.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.521 HG21 HD13 ' A' ' 81' ' ' LEU . 50.9 mm -62.53 -35.08 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 C-N-CA 123.196 0.598 . . . . 75.44 111.567 -177.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 93.8 t -56.38 -45.86 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 122.866 0.466 . . . . 73.33 109.797 174.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -70.83 -38.93 73.26 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 123.77 0.828 . . . . 64.11 110.893 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 21.9 mm-40 -60.07 -37.31 79.52 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.923 0.889 . . . . 74.23 111.691 177.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.18 -33.93 76.54 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 123.426 0.454 . . . . 73.0 110.966 176.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.414 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 16.5 mmt -65.39 -34.46 78.36 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 112.205 0.446 . . . . 74.14 112.205 -174.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -88.91 -29.51 19.55 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.804 0.442 . . . . 73.42 110.694 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -63.72 -42.77 97.87 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.805 0.842 . . . . 72.4 110.003 173.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.07 -23.86 51.95 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.193 0.997 . . . . 64.44 110.839 -173.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -61.1 -19.45 56.95 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-N 116.083 -0.508 . . . . 74.32 112.719 170.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 56.9 p -123.69 11.45 9.13 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 123.77 0.828 . . . . 72.52 112.239 177.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.511 HD23 ' HD3' ' A' ' 77' ' ' LYS . 29.7 mt -85.06 30.7 0.58 Allowed 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 121.372 0.606 . . . . 64.04 110.847 174.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.12 -19.41 32.25 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.081 1.352 . . . . 73.24 111.856 167.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -60.8 85.64 0.01 OUTLIER 'General case' 0 C--N 1.361 1.108 0 C-N-CA 124.443 1.097 . . . . 74.5 110.427 177.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -80.28 154.91 27.55 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-N 114.269 -1.332 . . . . 74.23 108.422 172.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -69.51 143.35 53.48 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 109.256 -0.646 . . . . 73.04 109.256 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -70.91 100.28 1.92 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 121.315 0.579 . . . . 74.54 109.646 175.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -76.97 153.82 34.17 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.459 -0.791 . . . . 75.52 111.508 -173.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 76.1 t60 . . . . . 0 C--O 1.253 1.273 0 N-CA-C 107.612 -1.255 . . . . 73.01 107.612 173.079 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.5 mtm . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 110.216 -0.291 . . . . 74.54 110.216 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -136.57 158.65 43.95 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 107.754 -1.202 . . . . 65.43 107.754 171.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 2.9 mp0 -109.27 131.06 55.42 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.302 0.572 . . . . 64.31 110.19 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -120.5 111.88 18.25 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 107.414 -1.328 . . . . 72.24 107.414 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 tt -103.37 116.65 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.396 0.678 . . . . 55.24 109.252 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mp -102.69 121.93 43.42 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.811 -0.811 . . . . 75.53 108.811 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.533 HG22 HD12 ' A' ' 18' ' ' ILE . 2.8 mp -100.28 141.22 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 108.259 -1.015 . . . . 75.13 108.259 176.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.493 ' HB2' HD12 ' A' ' 64' ' ' LEU . 3.4 t-20 -113.58 106.82 14.99 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 123.723 0.809 . . . . 73.32 108.888 174.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.402 HG23 HG12 ' A' ' 15' ' ' ILE . 3.8 t -146.25 131.0 17.97 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 123.587 0.755 . . . . 71.34 109.894 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -94.49 -6.49 43.75 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.31 1.044 . . . . 75.22 109.923 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.471 ' O ' HG13 ' A' ' 15' ' ' ILE . 48.0 t-20 -82.11 113.43 19.96 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.437 1.095 . . . . 75.4 109.341 -176.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.36 -46.85 85.48 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.487 1.115 . . . . 75.54 111.088 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -63.46 -41.55 98.61 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 113.917 -1.492 . . . . 74.12 110.249 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.446 HD12 ' HB2' ' A' ' 110' ' ' ASP . 60.2 tp -69.81 -37.6 76.32 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 118.678 -0.677 . . . . 74.22 111.265 -177.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.491 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 65.8 mt -55.19 -42.38 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 N-CA-C 109.106 -0.701 . . . . 74.21 109.106 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -61.86 -46.68 88.35 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 124.164 0.915 . . . . 74.44 111.301 177.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.608 ' HE2' HD12 ' A' ' 114' ' ' LEU . 57.0 mtpt -60.05 -44.09 94.92 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.769 0.828 . . . . 75.25 111.139 -178.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.533 HD12 HG22 ' A' ' 7' ' ' ILE . 76.1 mt -60.38 -51.54 71.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 O-C-N 124.405 1.066 . . . . 74.34 108.841 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.639 ' HG2' HG13 ' A' ' 29' ' ' VAL . 89.5 mttt -52.64 -41.01 63.38 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 124.448 1.092 . . . . 75.32 111.327 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 20' ' ' LYS . 71.3 mmtt -68.03 -41.7 81.72 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 123.754 0.659 . . . . 74.42 111.269 -178.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 25.6 mm-40 -59.01 -42.98 91.43 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 123.83 0.706 . . . . 74.03 110.472 173.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.496 HG21 ' O ' ' A' ' 18' ' ' ILE . 67.0 t -73.48 -29.69 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 124.568 1.147 . . . . 72.02 111.249 -175.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -75.95 -27.91 57.73 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.513 0.725 . . . . 73.24 110.746 174.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -68.8 -23.51 64.29 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.056 0.542 . . . . 73.43 110.031 174.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.717 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 72.7 mm-40 -97.54 -29.12 13.64 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.206 1.003 . . . . 74.13 110.624 178.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.0 39.41 7.48 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 115.732 -0.667 . . . . 65.33 114.515 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.436 ' HB2' HG12 ' A' ' 22' ' ' VAL . 1.0 OUTLIER -97.51 170.03 9.32 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.257 0.623 . . . . 75.52 110.104 176.284 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.423 HE22 ' HG3' ' A' ' 52' ' ' GLU . 2.5 mp0 -92.04 113.38 25.64 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.329 -0.989 . . . . 73.22 108.329 -176.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.639 HG13 ' HG2' ' A' ' 19' ' ' LYS . 21.3 t -93.81 136.42 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 CA-C-N 118.143 0.429 . . . . 52.23 110.388 177.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -133.22 132.88 42.01 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 107.797 -1.186 . . . . 63.4 107.797 162.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -107.24 116.58 32.18 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 108.0 -1.111 . . . . 62.5 108.0 170.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.569 HG12 HD12 ' A' ' 63' ' ' LEU . 86.4 t -92.09 122.27 43.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 C-N-CA 124.511 1.124 . . . . 74.44 109.415 178.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -109.87 -14.69 14.24 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.748 0.819 . . . . 74.02 110.399 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -150.36 156.39 41.42 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.512 0.725 . . . . 75.21 110.887 -176.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.9 m -62.66 -24.23 67.51 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.142 0.977 . . . . 64.32 112.737 -177.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -76.29 -23.47 54.37 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.057 0.143 . . . . 74.3 110.676 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.52 -47.5 32.57 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.38 0.672 . . . . 74.35 110.889 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.495 ' HB3' HG13 ' A' ' 32' ' ' VAL . 4.4 pp -71.52 -33.55 69.29 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 112.375 0.509 . . . . 73.54 112.375 -173.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -65.48 -32.99 74.9 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.755 0.312 . . . . 75.32 110.447 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -67.65 -44.99 76.58 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 115.237 -0.892 . . . . 75.2 109.823 174.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 52.3 mm-40 -70.35 -34.34 72.52 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.732 0.641 . . . . 74.21 112.732 -175.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 36.6 mmt -65.39 -35.9 82.34 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 109.469 -0.567 . . . . 75.23 109.469 174.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 64.3 tttp -68.12 -43.33 78.64 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 115.558 -0.747 . . . . 63.42 110.111 174.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -55.43 -36.93 67.03 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 124.507 1.123 . . . . 71.53 111.191 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 66.8 mt -67.72 -44.6 77.25 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.359 -0.837 . . . . 74.31 109.756 176.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.81 -22.92 63.26 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.148 0.979 . . . . 75.4 112.092 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 14.1 mm-40 -77.73 -54.99 5.72 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 108.437 -0.949 . . . . 63.35 108.437 174.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -114.56 105.79 13.5 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 114.528 -1.214 . . . . 70.32 110.629 -170.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -101.81 -4.04 27.0 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.786 0.834 . . . . 73.54 109.094 170.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -87.01 29.05 0.85 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.586 1.555 . . . . 71.5 112.504 -172.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -147.33 176.66 9.83 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.293 0.637 . . . . 74.22 109.867 172.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' HG3' HE22 ' A' ' 28' ' ' GLN . 5.9 pt-20 -77.77 -179.83 6.2 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.193 0.997 . . . . 73.43 112.681 -173.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 14.1 ptpt -66.59 153.55 42.75 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.018 1.327 . . . . 72.44 112.694 -174.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.0 mp -122.48 143.1 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.873 0.869 . . . . 75.5 109.514 -169.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 tt -108.65 121.86 45.9 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.456 1.103 . . . . 72.3 109.699 175.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.4 mm -106.05 145.98 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.003 0 C-N-CA 124.196 0.998 . . . . 75.42 109.289 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 61.8 mt -126.33 149.26 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 107.134 -1.432 . . . . 75.34 107.134 170.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.4 t -155.52 151.04 27.18 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.447 0.699 . . . . 71.53 109.41 174.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -87.82 -38.31 15.81 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.318 0.647 . . . . 74.15 109.752 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -95.39 143.78 26.46 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.088 0.955 . . . . 73.13 110.486 -176.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' A' ' 89' ' ' GLU . 61.8 mttp -86.28 -23.47 26.32 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.938 0.895 . . . . 74.34 112.27 -174.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -77.4 -23.18 50.73 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.321 0.248 . . . . 74.32 110.531 178.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.569 HD12 HG12 ' A' ' 32' ' ' VAL . 74.2 mt -67.79 -44.25 77.81 Favored 'General case' 0 C--O 1.253 1.284 0 N-CA-C 109.387 -0.598 . . . . 75.33 109.387 170.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.553 HD13 HD12 ' A' ' 80' ' ' LEU . 87.1 mt -55.26 -49.66 71.48 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 114.473 -1.24 . . . . 73.35 109.575 175.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -48.1 -53.12 17.63 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.456 1.098 . . . . 75.32 110.761 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -53.54 -53.79 46.63 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 124.511 1.132 . . . . 73.33 111.215 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 77.5 mtm -64.3 -47.41 79.58 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.583 -0.735 . . . . 70.44 112.161 -175.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 73.0 mt -52.25 -40.03 61.16 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 124.486 1.114 . . . . 74.2 111.319 -178.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.681 ' HA ' ' HH ' ' A' ' 102' ' ' TYR . 47.2 mt-10 -73.55 -47.72 38.51 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.053 -0.976 . . . . 50.13 110.909 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.66 -48.71 76.13 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 123.619 0.574 . . . . 71.45 112.072 -175.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 96.3 mt -54.54 -35.92 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 125.313 1.445 . . . . 72.24 111.588 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.6 t -59.05 -50.57 73.56 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.971 0.908 . . . . 75.44 111.463 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.05 -7.23 58.76 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 111.652 0.241 . . . . 73.11 111.652 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.0 mt -72.42 -24.49 61.24 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 108.917 -0.771 . . . . 73.45 108.917 166.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.4 39.94 3.82 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 111.37 -0.692 . . . . 75.32 111.37 171.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -123.63 152.03 42.39 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.932 0.893 . . . . 74.04 109.693 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -67.54 119.52 12.46 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 123.919 0.762 . . . . 73.34 110.002 171.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.2 t -92.13 110.17 22.41 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 C-N-CA 123.576 0.75 . . . . 71.32 109.537 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -112.18 144.22 41.94 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 108.174 -1.047 . . . . 73.34 108.174 173.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.553 HD12 HD13 ' A' ' 64' ' ' LEU . 51.9 tp -137.05 146.97 45.84 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.351 -0.981 . . . . 74.5 108.351 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.0 tp -144.86 120.88 10.72 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.346 -1.724 . . . . 73.55 106.346 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -123.54 134.98 53.78 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.453 0.645 . . . . 74.43 110.501 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -130.8 144.19 51.28 Favored 'General case' 0 C--O 1.238 0.447 0 CA-C-N 114.864 -1.062 . . . . 73.3 108.37 176.262 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -165.87 163.5 18.63 Favored 'General case' 0 C--O 1.247 0.924 0 N-CA-C 108.331 -0.988 . . . . 74.31 108.331 174.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -71.34 -38.15 71.65 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.641 -0.503 . . . . 63.44 109.641 174.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -86.16 126.49 34.27 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.358 1.063 . . . . 64.32 109.284 175.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -91.36 -8.16 48.81 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 111.911 0.337 . . . . 75.11 111.911 -176.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -71.53 -39.09 70.96 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 118.902 0.774 . . . . 75.01 109.703 174.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' HB3' ' HE2' ' A' ' 61' ' ' LYS . 56.5 mm-40 -57.65 -37.36 73.22 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.23 1.012 . . . . 74.44 110.719 173.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 66.8 mt -78.1 -54.91 5.73 Favored 'General case' 0 C--O 1.209 -1.049 0 CA-C-N 115.522 -0.763 . . . . 75.12 111.351 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -67.8 -47.91 67.75 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.617 1.167 . . . . 71.14 111.244 -168.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 53.6 mt-10 -63.43 -48.18 78.82 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 123.669 0.606 . . . . 72.03 110.745 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.411 ' O ' HG12 ' A' ' 97' ' ' ILE . 58.8 t80 -67.13 -39.45 86.6 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 123.565 0.54 . . . . 73.32 110.18 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -58.73 -54.67 44.42 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.262 1.025 . . . . 71.45 111.327 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.451 ' NH2' ' HG2' ' A' ' 92' ' ' GLU . 22.6 ptt180 -65.38 -21.82 66.72 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 123.802 0.688 . . . . 75.23 111.702 -174.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 11.3 mmpt? -69.68 -49.07 57.11 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 109.795 -0.446 . . . . 71.44 109.795 170.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.412 HD13 ' NE2' ' A' ' 100' ' ' GLN . 50.3 mm -65.34 -33.91 66.9 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.277 0 C-N-CA 123.778 0.831 . . . . 75.43 111.277 -177.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -62.83 -39.74 95.28 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.831 0.853 . . . . 65.41 110.726 172.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.8 t -68.16 -37.17 80.73 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.289 0.635 . . . . 74.42 110.568 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.412 ' NE2' HD13 ' A' ' 97' ' ' ILE . 32.8 mt-30 -69.45 -19.11 63.77 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.009 0.924 . . . . 74.43 111.541 175.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 98.44 1.92 57.79 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-O 119.556 -0.58 . . . . 65.33 114.059 173.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.681 ' HH ' ' HA ' ' A' ' 69' ' ' GLU . 19.4 m-85 -86.32 144.59 27.3 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.024 0.53 . . . . 72.41 109.812 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.79 123.51 22.79 Favored 'General case' 0 C--N 1.344 0.367 0 N-CA-C 109.117 -0.697 . . . . 75.45 109.117 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 p -138.12 129.28 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.561 0.744 . . . . 61.13 110.127 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -113.67 143.12 45.12 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.922 -0.769 . . . . 73.15 108.922 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.502 ' HA ' HD12 ' A' ' 82' ' ' LEU . 21.5 ptmt -113.88 143.71 44.23 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.204 0.602 . . . . 71.43 110.178 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 83' ' ' GLN . 6.7 m -152.57 130.18 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.835 1.254 . . . . 65.35 109.468 177.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.4 m -79.75 -33.08 41.01 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.47 0.652 . . . . 75.12 109.716 172.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -88.38 143.15 27.18 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.324 -0.853 . . . . 75.21 111.106 -174.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.446 ' HB2' HD12 ' A' ' 14' ' ' LEU . 6.1 p-10 -76.33 -31.6 58.23 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.155 0.982 . . . . 64.43 109.255 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -54.04 -52.3 61.31 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.394 1.878 . . . . 75.24 110.73 168.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -72.08 -24.14 61.45 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.48 -0.782 . . . . 73.13 111.954 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.416 ' O ' HG22 ' A' ' 117' ' ' VAL . . . -66.61 -45.17 80.03 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.823 0.449 . . . . 72.34 110.111 174.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.608 HD12 ' HE2' ' A' ' 17' ' ' LYS . 95.6 mt -61.39 -37.24 82.72 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 123.769 0.668 . . . . 73.23 110.257 175.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -62.07 -53.53 54.18 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 124.127 0.892 . . . . 74.31 110.75 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 18.7 mt -69.92 -25.77 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.072 0.549 . . . . 75.15 112.333 -173.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.452 ' O ' ' HG3' ' A' ' 121' ' ' MET . 60.7 t -55.22 -44.88 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 109.653 -0.499 . . . . 74.35 109.653 167.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -75.61 -43.97 45.29 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 124.301 1.04 . . . . 75.21 111.308 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -54.27 -40.29 67.67 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.206 1.002 . . . . 65.22 111.058 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -57.25 -50.84 71.62 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.895 0.878 . . . . 73.2 110.836 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.717 ' SD ' ' HG3' ' A' ' 25' ' ' GLN . 59.1 mtt -65.09 -34.41 78.35 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.276 -0.875 . . . . 71.43 112.002 -168.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -81.18 -42.04 21.44 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 123.449 0.468 . . . . 63.21 110.935 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -74.84 -56.48 4.73 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.51 0.724 . . . . 74.11 111.441 -170.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.57 -35.82 81.95 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.22 0.608 . . . . 73.23 110.234 175.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -63.55 -27.82 71.5 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-N 115.279 -0.873 . . . . 72.43 113.784 176.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.8 m -70.68 -62.94 1.2 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.827 0.451 . . . . 71.03 110.502 173.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 44.4 tp 60.62 20.03 9.95 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 122.389 1.09 . . . . 74.14 111.113 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.09 -35.9 41.6 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.709 0.804 . . . . 75.43 111.351 -176.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 75.64 -59.58 0.52 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.545 1.538 . . . . 71.01 112.287 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -63.77 -8.51 10.81 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 115.332 1.605 . . . . 72.25 115.332 -165.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -69.23 -47.86 63.54 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 118.505 0.593 . . . . 75.11 110.889 171.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 176.51 163.16 0.41 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.596 1.558 . . . . 72.32 108.479 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -174.22 -175.35 0.99 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.789 0.836 . . . . 72.11 109.878 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 . . . . . 0 N--CA 1.481 1.094 0 C-N-CA 124.004 0.922 . . . . 72.2 110.072 172.486 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 109.898 -0.408 . . . . 64.33 109.898 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -103.92 123.24 46.8 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 108.822 -0.807 . . . . 74.14 108.822 169.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.52 ' HG3' ' HB3' ' A' ' 77' ' ' LYS . 3.2 mp0 -91.63 120.69 32.63 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.548 -0.908 . . . . 75.43 108.548 176.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.579 HD12 HD12 ' A' ' 45' ' ' LEU . 4.2 mm? -100.51 112.44 24.81 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 107.951 -1.129 . . . . 74.11 107.951 -177.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 79' ' ' PHE . 5.1 tt -106.11 115.97 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.788 0.835 . . . . 74.03 109.258 -177.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mp -102.53 121.02 41.53 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.194 0.998 . . . . 73.0 108.352 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.521 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 2.8 mp -100.46 132.46 46.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 109.316 -0.624 . . . . 71.42 109.316 177.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.411 ' HB3' ' HA ' ' A' ' 82' ' ' LEU . 3.4 t-20 -99.08 113.12 25.16 Favored 'General case' 0 C--N 1.346 0.418 0 N-CA-C 107.404 -1.332 . . . . 73.45 107.404 168.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.586 HG23 HG12 ' A' ' 15' ' ' ILE . 2.5 t -148.37 117.71 6.92 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 109.302 -0.629 . . . . 64.3 109.302 169.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.68 -0.79 57.59 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.898 -0.592 . . . . 74.43 110.204 170.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -84.7 97.88 9.91 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.917 -1.142 . . . . 75.04 107.917 173.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -51.6 -38.57 55.17 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.444 1.498 . . . . 73.34 112.462 -176.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -60.09 -47.66 84.95 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 124.914 1.384 . . . . 74.13 110.127 -177.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 18' ' ' ILE . 52.8 tp -67.3 -38.5 85.11 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.771 -1.104 . . . . 73.14 111.142 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.586 HG12 HG23 ' A' ' 9' ' ' THR . 58.9 mt -52.85 -45.42 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 C-N-CA 122.911 0.484 . . . . 75.45 110.271 178.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -62.12 -42.43 99.23 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.208 -0.905 . . . . 74.02 111.045 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 58.2 mtpt -65.6 -46.0 81.03 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.242 -0.89 . . . . 75.54 110.886 -178.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.491 ' O ' HG22 ' A' ' 22' ' ' VAL . 74.9 mt -57.51 -46.32 86.01 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 C-N-CA 123.833 0.853 . . . . 73.23 109.873 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.606 ' HG2' HG12 ' A' ' 29' ' ' VAL . 85.4 mttt -51.55 -50.88 59.2 Favored 'General case' 0 N--CA 1.483 1.21 0 O-C-N 124.016 0.823 . . . . 72.32 111.447 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -66.42 -35.31 79.99 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 123.953 0.783 . . . . 74.22 111.808 -177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 36.1 mm-40 -57.45 -50.52 72.75 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 123.752 0.658 . . . . 75.52 109.797 174.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.518 HG21 HD21 ' A' ' 55' ' ' LEU . 54.6 t -71.45 -27.66 29.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 C-N-CA 125.184 1.394 . . . . 72.22 111.527 -174.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -71.6 -33.09 68.7 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.487 0.715 . . . . 62.13 110.78 175.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -83.92 -15.16 48.99 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 122.616 0.366 . . . . 64.21 110.864 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 84.2 mm-40 -83.28 -22.77 32.89 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.174 0.59 . . . . 74.55 109.822 168.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.94 4.54 67.02 Favored Glycine 0 C--N 1.352 1.47 0 N-CA-C 114.46 0.544 . . . . 62.34 114.46 175.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.43 ' CE2' ' SD ' ' A' ' 121' ' ' MET . 1.2 m-85 -85.64 166.81 15.89 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.478 0.711 . . . . 73.12 110.47 -178.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.591 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 70.7 mt-30 -89.23 143.6 26.72 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.986 0.914 . . . . 74.12 109.9 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.606 HG12 ' HG2' ' A' ' 19' ' ' LYS . 20.1 t -121.26 121.78 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 C-N-CA 123.043 0.537 . . . . 75.4 110.408 -178.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.591 ' NH1' ' HB3' ' A' ' 28' ' ' GLN . 10.0 mpt_? -122.73 108.57 13.2 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 109.003 -0.739 . . . . 70.33 109.003 168.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -93.1 122.68 35.71 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.584 -0.895 . . . . 74.02 108.584 173.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.501 HG13 ' HB3' ' A' ' 38' ' ' LEU . 96.6 t -99.09 118.76 46.15 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 C-N-CA 123.459 0.704 . . . . 75.3 109.115 -177.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -111.65 -19.83 12.35 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.509 1.524 . . . . 72.45 109.431 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -137.25 147.82 46.02 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.658 1.183 . . . . 74.14 109.253 -174.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.8 m -64.13 -21.05 66.39 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.929 0.892 . . . . 73.2 112.969 -173.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -76.58 -31.45 57.53 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.048 0.539 . . . . 75.24 110.135 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.9 -30.37 68.84 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.47 0.708 . . . . 72.12 111.995 -177.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.501 ' HB3' HG13 ' A' ' 32' ' ' VAL . 4.0 pp -78.55 -42.23 29.86 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 117.762 0.255 . . . . 73.41 110.697 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -73.8 -31.76 63.41 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.811 0.444 . . . . 73.21 111.516 -172.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.422 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 22.2 ptmt -67.14 -35.19 79.18 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 123.35 0.406 . . . . 72.32 109.906 175.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.519 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 61.4 mm-40 -77.45 -33.24 54.81 Favored 'General case' 0 C--O 1.21 -0.998 0 CA-C-N 115.914 -0.585 . . . . 74.11 111.18 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.446 ' HG3' HD12 ' A' ' 70' ' ' LEU . 35.7 mmt -60.61 -33.43 72.74 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 118.437 0.562 . . . . 74.24 110.446 174.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.61 -50.74 63.95 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.683 0.793 . . . . 72.33 110.921 173.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 14.0 mmmm -60.55 -47.7 85.03 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.666 0.786 . . . . 65.42 111.319 -177.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.579 HD12 HD12 ' A' ' 4' ' ' LEU . 54.9 mt -74.53 -30.99 61.99 Favored 'General case' 0 C--O 1.219 -0.52 0 C-N-CA 123.58 0.752 . . . . 72.23 111.026 -173.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.19 -55.99 17.87 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.384 0.673 . . . . 74.44 110.811 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -73.17 -43.34 61.62 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.55 -1.205 . . . . 63.33 111.709 -170.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -82.42 118.48 23.24 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 108.732 -0.84 . . . . 70.42 108.732 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -105.62 -66.89 0.95 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 120.68 0.276 . . . . 74.2 111.631 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -76.96 94.06 3.9 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.325 0.65 . . . . 75.44 110.476 -174.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -172.75 -177.48 1.68 Allowed 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 125.067 1.347 . . . . 75.31 109.333 171.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.61 153.79 40.6 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 120.915 0.388 . . . . 72.34 111.877 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -81.66 149.76 28.38 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.578 -0.737 . . . . 73.42 110.564 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.44 ' N ' HD13 ' A' ' 54' ' ' ILE . 3.4 mp -112.23 132.35 61.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 115.013 -0.994 . . . . 74.45 109.684 -163.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.518 HD21 HG21 ' A' ' 22' ' ' VAL . 4.0 tt -91.68 115.12 27.79 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.324 -0.853 . . . . 73.51 108.879 172.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.7 mm -98.04 138.71 21.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 124.092 0.957 . . . . 74.23 108.465 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 56.3 mt -117.09 154.99 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 N-CA-C 107.179 -1.415 . . . . 74.51 107.179 165.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.3 t -156.02 145.79 21.16 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.206 -1.035 . . . . 74.44 108.206 167.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -105.24 23.75 13.19 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 124.001 0.92 . . . . 74.45 110.843 -175.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.433 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 20.9 t70 -145.12 136.84 25.47 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 123.011 0.524 . . . . 74.15 110.369 176.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -71.08 -33.88 70.63 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.25 1.02 . . . . 74.32 111.527 -172.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -75.34 -33.31 61.1 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.709 0.404 . . . . 74.33 110.81 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.479 HD13 HG12 ' A' ' 32' ' ' VAL . 53.8 mt -65.66 -44.21 87.01 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 109.418 -0.586 . . . . 74.21 109.418 178.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 37.1 mt -58.94 -51.54 69.59 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 114.604 -1.18 . . . . 74.04 110.978 174.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -56.29 -41.92 76.68 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.585 1.154 . . . . 74.03 111.505 -174.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -61.23 -53.4 57.34 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 123.695 0.622 . . . . 73.31 111.174 172.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.492 ' SD ' ' HB2' ' A' ' 38' ' ' LEU . 76.7 mtm -62.37 -30.7 71.38 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.86 0.689 . . . . 75.01 112.86 -176.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.47 HD11 HD21 ' A' ' 80' ' ' LEU . 80.4 mt -60.55 -43.22 97.47 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.001 0.52 . . . . 73.03 110.751 177.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.494 ' HG2' ' HH ' ' A' ' 102' ' ' TYR . 75.9 mt-10 -81.28 -29.98 34.14 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.225 -0.898 . . . . 75.44 111.39 -178.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 90.7 mt -67.85 -54.67 17.11 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.042 0.537 . . . . 74.11 109.99 176.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.412 HG23 HG23 ' A' ' 78' ' ' VAL . 98.1 mt -59.94 -30.1 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 124.555 1.142 . . . . 71.4 111.399 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.9 t -66.4 -40.55 89.7 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.123 0.569 . . . . 72.43 111.237 175.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -16.1 40.58 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 119.569 -0.253 . . . . 73.41 111.365 177.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 51.4 mt -71.42 -34.99 70.81 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 108.856 -0.794 . . . . 73.45 108.856 170.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.78 67.18 0.98 Allowed Glycine 0 C--N 1.346 1.129 0 CA-C-N 115.53 -0.759 . . . . 71.52 111.751 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -141.17 151.98 44.29 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.443 1.097 . . . . 64.01 109.677 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.52 ' HB3' ' HG3' ' A' ' 3' ' ' GLU . 49.9 tptt -70.05 108.73 4.2 Favored 'General case' 0 C--N 1.352 0.678 0 N-CA-C 108.586 -0.894 . . . . 75.41 108.586 175.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.412 HG23 HG23 ' A' ' 71' ' ' ILE . 39.2 t -89.15 130.25 38.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 123.685 0.794 . . . . 75.1 109.59 -172.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.414 ' HB3' ' HA ' ' A' ' 5' ' ' ILE . 21.3 t80 -128.32 145.3 51.11 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 106.913 -1.514 . . . . 75.13 106.913 177.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.47 HD21 HD11 ' A' ' 68' ' ' LEU . 56.8 tp -139.51 102.05 4.37 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 108.995 -0.743 . . . . 63.34 108.995 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.521 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 46.2 tp -92.59 111.55 23.18 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 107.358 -1.349 . . . . 65.34 107.358 171.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 3.8 pp -111.27 144.38 40.53 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.33 0.513 . . . . 73.45 110.866 -176.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.04 150.39 25.67 Favored 'General case' 0 C--O 1.244 0.763 0 C-N-CA 124.051 0.94 . . . . 72.3 109.622 -176.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -164.45 172.53 13.24 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-N 114.834 -1.076 . . . . 75.04 108.263 172.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -78.96 -15.75 57.86 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.28 0.632 . . . . 71.45 110.655 173.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -101.21 142.15 33.06 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.486 1.114 . . . . 73.42 109.701 173.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -90.38 -37.44 13.99 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.542 0.737 . . . . 75.03 111.848 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -57.11 -44.57 83.37 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.394 0.678 . . . . 73.33 111.891 -170.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -63.46 -37.4 87.15 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 115.327 -0.851 . . . . 72.13 111.59 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 70.1 mt -72.06 -53.76 11.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.759 0.824 . . . . 75.12 111.999 -173.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.8 -42.45 99.02 Favored 'General case' 0 C--O 1.247 0.948 0 C-N-CA 123.577 0.751 . . . . 74.13 111.792 -174.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.554 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 1.7 pp20? -74.99 -32.11 61.58 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 123.823 0.702 . . . . 74.15 110.599 -177.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.521 ' O ' HG12 ' A' ' 97' ' ' ILE . 6.0 t80 -69.19 -49.28 58.05 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.401 -0.592 . . . . 73.43 109.401 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.403 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 20.8 ttpt -55.88 -51.92 65.87 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.157 0.983 . . . . 74.11 111.92 -176.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -59.74 -28.5 67.41 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 123.806 0.691 . . . . 74.22 112.435 -175.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 30.7 mmtp -69.86 -51.32 34.38 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.451 -0.574 . . . . 75.31 109.451 175.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 93' ' ' PHE . 34.7 mm -68.09 -28.87 42.62 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.421 0 CA-C-N 114.564 -1.198 . . . . 74.41 111.487 -171.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -61.44 -46.75 88.78 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 123.584 0.754 . . . . 72.12 110.636 169.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.0 t -72.44 -17.95 61.74 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.292 -0.867 . . . . 71.31 111.185 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -90.3 1.61 56.36 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.335 1.054 . . . . 70.43 111.512 175.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 73.91 31.4 60.1 Favored Glycine 0 C--N 1.35 1.355 0 N-CA-C 114.156 0.422 . . . . 65.0 114.156 171.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.503 ' HB2' HG22 ' A' ' 97' ' ' ILE . 38.7 m-85 -110.89 139.58 46.1 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 108.725 -0.842 . . . . 75.22 108.725 174.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -73.36 88.59 1.57 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.077 0.551 . . . . 72.55 109.915 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.0 p -109.19 136.22 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.614 0.766 . . . . 72.43 110.721 -173.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -123.55 146.1 48.38 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.695 1.198 . . . . 74.11 108.928 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.403 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 28.5 ttpp -114.56 129.8 56.7 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.391 0.676 . . . . 71.53 110.532 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.9 m -135.34 133.52 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 108.615 -0.883 . . . . 74.32 108.615 173.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.3 m -97.41 -0.37 46.39 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 121.528 0.68 . . . . 71.34 110.063 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -125.3 150.52 47.04 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.494 0.717 . . . . 72.34 111.017 -171.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -57.86 -55.28 36.95 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.418 1.487 . . . . 62.13 111.393 173.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.48 -38.76 92.15 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.786 0.834 . . . . 72.04 111.781 -174.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -65.28 -31.24 72.29 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.465 0.706 . . . . 63.44 110.908 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.72 70.33 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.342 0.657 . . . . 73.52 110.626 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.42 HD22 ' HG3' ' A' ' 21' ' ' GLU . 89.5 mt -61.64 -33.34 73.78 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.457 0.703 . . . . 74.33 110.821 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -62.58 -57.51 10.85 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 123.698 0.624 . . . . 73.34 111.116 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 56.0 mt -64.98 -28.64 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 123.047 0.539 . . . . 74.3 111.81 -174.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 50.1 t -58.76 -48.78 85.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 C-N-CA 123.436 0.695 . . . . 73.34 110.977 171.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -76.41 -44.73 34.74 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.706 0.802 . . . . 73.31 111.377 -175.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.58 -26.21 68.31 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.816 0.847 . . . . 74.3 112.06 175.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -57.9 -42.02 83.84 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.914 0.486 . . . . 75.31 110.356 173.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.43 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 11.9 mmt -59.62 -23.33 62.91 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 124.033 0.833 . . . . 74.12 112.571 -172.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -100.43 -36.11 9.33 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.358 0.663 . . . . 72.25 111.116 173.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -76.44 -25.9 54.89 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 125.153 1.381 . . . . 73.23 112.808 -170.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.41 -54.74 41.99 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 124.521 1.128 . . . . 75.22 111.671 -169.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -84.13 70.35 3.17 Favored Glycine 0 C--N 1.35 1.356 0 N-CA-C 110.989 -0.845 . . . . 72.01 110.989 174.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.1 p -76.9 172.06 13.76 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.344 1.057 . . . . 73.43 110.945 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.0 mt -81.28 79.04 8.0 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 112.489 0.552 . . . . 74.32 112.489 -169.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 43.14 -86.5 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 126.974 2.11 . . . . 75.1 114.42 174.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -84.25 114.32 21.74 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.416 0.686 . . . . 75.11 110.207 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -157.0 79.44 0.91 Allowed 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.827 0.822 . . . . 73.3 109.209 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -144.13 152.25 40.68 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.95 0.9 . . . . 65.31 110.313 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -93.19 33.07 1.23 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 124.416 1.087 . . . . 75.32 109.379 174.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -134.91 123.96 24.23 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.232 1.413 . . . . 75.32 109.053 -170.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 C--O 1.253 1.238 0 O-C-N 123.85 0.719 . . . . 74.41 109.353 174.416 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 109.421 -0.585 . . . . 64.31 109.421 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -92.27 133.84 35.45 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.778 0.799 . . . . 72.31 110.725 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.53 ' HG3' ' HD2' ' A' ' 77' ' ' LYS . 2.0 mp0 -113.46 133.27 55.3 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-N 113.382 -1.735 . . . . 73.12 108.756 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.84 111.73 20.11 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 107.632 -1.248 . . . . 75.11 107.632 173.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.47 HG23 ' HG ' ' A' ' 55' ' ' LEU . 3.8 tt -108.04 128.57 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 123.901 0.88 . . . . 75.04 108.798 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -112.57 120.21 40.8 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 107.913 -1.143 . . . . 74.34 107.913 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.471 HG21 HD12 ' A' ' 18' ' ' ILE . 3.1 mp -99.37 141.48 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 N-CA-C 108.057 -1.09 . . . . 70.22 108.057 176.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.529 ' HB2' HD11 ' A' ' 64' ' ' LEU . 27.2 t-20 -121.47 112.6 18.72 Favored 'General case' 0 C--N 1.345 0.413 0 C-N-CA 122.948 0.499 . . . . 73.15 110.063 173.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.5 t -146.53 124.05 11.73 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 108.128 -1.064 . . . . 72.32 108.128 165.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -79.85 -18.04 51.76 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 122.704 0.402 . . . . 73.24 110.06 174.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -67.47 102.44 1.13 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.166 -1.05 . . . . 73.41 108.166 175.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -58.68 -35.24 72.29 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.755 1.222 . . . . 71.5 112.265 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -72.7 -37.14 67.93 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.277 -0.874 . . . . 61.15 110.586 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.517 HD13 ' HB2' ' A' ' 110' ' ' ASP . 41.3 tp -71.53 -31.23 66.81 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.896 0.478 . . . . 72.1 110.965 177.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.49 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 65.2 mt -52.24 -45.16 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 N-CA-C 109.424 -0.584 . . . . 64.43 109.424 173.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -60.6 -41.9 95.7 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.582 1.153 . . . . 74.14 111.866 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -66.18 -40.38 90.42 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.666 0.786 . . . . 75.24 110.887 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.588 ' O ' HG22 ' A' ' 22' ' ' VAL . 60.6 mt -65.92 -40.49 87.61 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 CA-C-N 115.482 -0.781 . . . . 72.11 108.975 176.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 83.5 mttt -56.31 -51.61 67.57 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.615 0.766 . . . . 71.12 111.435 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -32.02 73.11 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.329 0.393 . . . . 74.41 111.345 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.521 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 61.6 mm-40 -62.15 -40.64 96.64 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.589 0.355 . . . . 71.54 111.355 172.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 18' ' ' ILE . 57.9 t -67.08 -31.36 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.888 0.875 . . . . 70.53 110.917 177.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.47 -29.73 61.57 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.566 0.746 . . . . 74.15 110.643 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -67.1 -30.74 70.84 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.048 0.539 . . . . 74.14 110.048 172.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 62.9 mm-40 -84.85 -27.58 26.63 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.435 0.694 . . . . 75.5 110.063 177.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.79 33.49 15.62 Favored Glycine 0 C--N 1.356 1.677 0 C-N-CA 123.692 0.663 . . . . 75.12 114.063 176.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.441 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 2.3 m-85 -99.5 165.68 11.52 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.815 0.846 . . . . 74.42 110.189 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.487 ' HB2' HG23 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -77.03 112.99 14.26 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 107.718 -1.215 . . . . 70.22 107.718 178.801 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.76 101.17 6.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 O-C-N 123.777 0.673 . . . . 74.44 109.42 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -116.81 109.17 16.76 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.217 0.607 . . . . 74.21 109.395 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -101.74 116.42 32.7 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 108.556 -0.905 . . . . 74.35 108.556 173.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.578 HG13 HD11 ' A' ' 63' ' ' LEU . 84.2 t -90.0 119.78 37.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 C-N-CA 123.962 0.905 . . . . 74.32 108.798 175.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -116.67 -7.62 11.53 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.24 1.016 . . . . 72.25 109.373 175.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -131.13 143.4 50.61 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.44 1.096 . . . . 61.04 109.856 -172.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.7 m -70.58 -24.4 62.76 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.797 0.839 . . . . 75.42 112.937 -173.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.506 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 17.4 t70 -80.99 -31.02 34.87 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.805 -0.443 . . . . 73.54 109.805 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -54.18 -50.08 67.84 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.846 0.459 . . . . 75.41 111.924 175.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.549 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.2 pp -62.5 -40.91 98.25 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.541 0.526 . . . . 73.02 111.541 -173.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 17.6 ptpt -66.61 -34.51 78.05 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 110.483 -0.192 . . . . 73.22 110.483 -175.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -61.4 -49.1 78.26 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.161 0.984 . . . . 75.32 111.183 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 5.7 pt-20 -82.81 -26.68 31.52 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.387 -0.824 . . . . 74.45 112.119 -173.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 37.3 mmt -62.73 -39.2 93.33 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.262 0.553 . . . . 71.12 109.956 171.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.54 -43.64 69.15 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.119 -0.946 . . . . 74.2 110.44 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -54.04 -34.07 59.01 Favored 'General case' 0 N--CA 1.501 2.085 0 C-N-CA 124.163 0.985 . . . . 75.14 112.225 177.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 96.2 mt -57.33 -48.7 78.3 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.751 0.821 . . . . 74.3 111.082 174.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.02 -17.24 33.42 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.166 0.986 . . . . 74.22 112.223 -176.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -74.67 -52.83 10.58 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.99 0.516 . . . . 74.52 109.833 177.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -81.57 138.15 35.43 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 109.188 -0.671 . . . . 74.11 109.188 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -77.67 -50.79 11.74 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.754 0.822 . . . . 75.44 111.296 -173.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -141.27 121.21 13.61 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.897 0.479 . . . . 74.02 110.647 -173.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.41 ' CE2' HD12 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -169.22 163.56 10.92 Favored 'General case' 0 C--O 1.25 1.123 0 C-N-CA 124.907 1.283 . . . . 75.11 108.493 175.353 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.4 160.74 26.76 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.726 0.81 . . . . 64.24 111.76 -175.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.43 ' HE3' ' OH ' ' A' ' 27' ' ' TYR . 42.2 pttt -71.82 148.79 45.89 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 114.727 -1.124 . . . . 75.33 111.954 -177.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.487 HG23 ' HB2' ' A' ' 28' ' ' GLN . 2.7 mp -112.08 146.91 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.713 1.205 . . . . 73.4 108.49 -172.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.47 ' HG ' HG23 ' A' ' 5' ' ' ILE . 9.4 tt -109.18 122.25 46.9 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 108.964 -0.754 . . . . 73.3 108.964 175.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.7 mm -104.94 130.25 56.3 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 124.475 1.11 . . . . 75.5 109.453 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.413 HG21 HG22 ' A' ' 15' ' ' ILE . 51.7 mt -111.33 153.12 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 106.909 -1.515 . . . . 72.2 106.909 167.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.8 t -150.43 144.81 25.66 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 109.327 -0.62 . . . . 64.41 109.327 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -96.94 1.74 50.75 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.377 1.071 . . . . 71.11 110.851 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -136.01 141.69 44.38 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.859 0.864 . . . . 71.33 110.943 -177.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.74 -21.73 25.0 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.099 0.96 . . . . 75.1 113.215 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -67.91 -35.57 78.69 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 109.796 -0.446 . . . . 73.21 109.796 176.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.578 HD11 HG13 ' A' ' 32' ' ' VAL . 57.4 mt -64.41 -44.61 90.7 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 123.628 0.771 . . . . 72.21 110.134 177.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.529 HD11 ' HB2' ' A' ' 8' ' ' ASN . 78.9 mt -57.26 -50.29 73.35 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 114.693 -1.14 . . . . 70.43 110.241 177.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -62.64 -40.91 98.51 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 124.459 1.1 . . . . 71.33 110.953 -166.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -60.62 -53.88 52.05 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.432 -0.804 . . . . 73.01 111.267 170.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.427 ' SD ' ' HB2' ' A' ' 38' ' ' LEU . 75.9 mtm -63.9 -30.87 71.91 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.001 0.741 . . . . 74.33 113.001 -173.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 88.9 mt -58.58 -35.67 72.77 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.359 0.663 . . . . 71.31 111.124 176.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -83.04 -36.44 24.96 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.121 0.968 . . . . 71.54 111.136 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.2 -52.88 52.06 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.827 0.851 . . . . 73.32 111.325 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 71.8 mt -64.35 -30.54 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 124.153 0.981 . . . . 75.41 110.685 178.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.2 t -68.75 -42.74 77.12 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.513 0.725 . . . . 71.22 110.955 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -22.33 53.06 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.092 0.157 . . . . 72.32 111.169 178.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.0 mt -71.33 -29.78 65.42 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.408 0.683 . . . . 74.11 109.606 170.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.05 10.38 56.24 Favored Glycine 0 C--N 1.345 1.081 0 CA-C-N 115.234 -0.894 . . . . 65.2 113.122 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' ' 45' ' ' LEU . 35.0 m-85 -83.54 166.14 18.5 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 117.404 0.602 . . . . 73.44 111.27 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.575 ' HE2' ' HA ' ' A' ' 128' ' ' GLU . 30.2 ttmt -78.39 113.88 16.78 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.686 -1.143 . . . . 74.33 109.857 -177.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -90.82 119.89 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 123.806 0.842 . . . . 73.52 109.99 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -117.88 137.99 52.43 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 106.582 -1.636 . . . . 73.45 106.582 170.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.428 HD22 HG13 ' A' ' 97' ' ' ILE . 59.3 tp -132.21 102.91 5.97 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 109.389 -0.597 . . . . 75.23 109.389 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.1 tp -86.44 129.74 34.75 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 107.602 -1.258 . . . . 65.31 107.602 166.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 pp -133.99 142.25 47.58 Favored 'General case' 0 C--O 1.245 0.827 0 N-CA-C 108.935 -0.765 . . . . 74.15 108.935 176.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.86 142.81 30.23 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 108.775 -0.824 . . . . 62.55 108.775 178.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.552 ' N ' HD22 ' A' ' 90' ' ' LEU . 13.2 m-20 -150.07 166.35 30.02 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.042 1.337 . . . . 73.32 108.246 177.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -81.17 -30.79 34.29 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 115.461 -0.791 . . . . 65.4 109.538 168.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -82.5 106.14 14.13 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.416 0.686 . . . . 70.54 109.315 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.495 ' HA ' HD13 ' A' ' 90' ' ' LEU . 10.0 tp10 -65.72 -34.05 77.29 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.648 0.779 . . . . 73.53 110.951 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -64.76 -34.22 77.81 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.011 0.524 . . . . 64.54 110.991 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -68.77 -41.05 79.34 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.718 0.407 . . . . 75.43 111.005 174.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.552 HD22 ' N ' ' A' ' 84' ' ' ASP . 82.3 mt -61.11 -55.31 33.92 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.171 0.988 . . . . 74.41 112.506 -177.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -61.8 -45.2 94.89 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.018 0.824 . . . . 71.22 111.338 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 35.5 mm-40 -68.13 -46.53 70.63 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.073 0.549 . . . . 73.15 111.856 -177.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -66.3 -38.06 86.87 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.608 0.363 . . . . 74.45 111.175 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.474 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 29.1 ttpp -67.09 -48.07 69.3 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.8 0.44 . . . . 74.24 111.613 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -65.79 -19.14 65.78 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.477 0.547 . . . . 71.52 112.477 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 10.6 mmpt? -61.89 -51.18 69.21 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 108.976 -0.75 . . . . 73.1 108.976 168.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.451 HG22 ' HB2' ' A' ' 102' ' ' TYR . 17.6 mm -70.51 -34.65 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-N 114.078 -1.419 . . . . 74.43 110.954 -175.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -65.99 -38.41 88.43 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.696 0.799 . . . . 75.32 111.209 172.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.4 t -70.35 -29.52 66.23 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 122.987 0.515 . . . . 71.03 110.527 176.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -77.2 -22.51 52.24 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.733 0.813 . . . . 74.21 110.455 173.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.54 47.41 6.38 Favored Glycine 0 C--N 1.35 1.324 0 CA-C-N 115.994 -0.548 . . . . 74.13 113.0 175.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.451 ' HB2' HG22 ' A' ' 97' ' ' ILE . 79.1 m-85 -112.83 151.01 30.9 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 109.529 -0.545 . . . . 70.31 109.529 173.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -65.61 94.17 0.19 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.309 1.044 . . . . 72.24 109.784 175.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.9 p -114.35 150.73 16.27 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 C-N-CA 123.588 0.755 . . . . 74.04 110.134 -177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.501 ' HB3' HD12 ' A' ' 116' ' ' ILE . 26.9 mmm180 -139.22 150.25 45.31 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.41 1.484 . . . . 73.41 108.602 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.474 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 1.4 tmmt? -141.56 143.35 33.69 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.527 0.731 . . . . 74.44 111.277 -175.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.469 HG13 HD11 ' A' ' 116' ' ' ILE . 2.5 m -149.79 158.52 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.957 1.303 . . . . 61.22 109.819 173.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.8 m -105.21 -33.64 8.17 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.96 -1.018 . . . . 75.3 109.818 174.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -85.0 143.2 29.08 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.459 0.703 . . . . 64.43 111.323 -177.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.517 ' HB2' HD13 ' A' ' 14' ' ' LEU . 5.0 p-10 -63.75 -45.36 90.16 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.042 1.337 . . . . 72.34 111.983 178.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.74 -34.8 79.18 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.616 1.167 . . . . 72.43 111.544 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -78.21 -23.97 47.25 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.41 -0.814 . . . . 70.31 110.813 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.426 ' HA ' HG22 ' A' ' 107' ' ' VAL . . . -67.34 -38.85 85.53 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.084 0.554 . . . . 75.03 110.817 172.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.475 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 38.8 mt -65.94 -29.82 70.29 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.336 -0.847 . . . . 74.25 110.579 175.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -68.51 -45.13 73.1 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 124.04 0.936 . . . . 71.1 111.308 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.501 HD12 ' HB3' ' A' ' 105' ' ' ARG . 19.7 mt -69.41 -26.4 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 122.916 0.486 . . . . 75.2 111.916 -175.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.25 -38.7 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 CA-C-O 121.188 0.518 . . . . 72.12 109.798 170.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -75.25 -42.4 55.24 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.22 1.008 . . . . 74.55 110.932 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.6 -33.42 73.87 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.572 0.749 . . . . 72.31 112.242 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -54.1 -45.35 71.8 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.893 0.877 . . . . 75.12 111.154 173.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.496 ' HE1' ' HG3' ' A' ' 25' ' ' GLN . 17.6 mmt -61.13 -42.19 98.09 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 114.934 -1.03 . . . . 74.34 111.187 -174.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -80.26 -34.7 36.83 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.094 0.558 . . . . 74.02 111.863 -177.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.518 ' HZ3' ' HB3' ' A' ' 123' ' ' LYS . 8.2 mtpm? -83.64 -64.78 1.1 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.917 0.487 . . . . 74.32 111.28 -174.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.24 -22.92 61.17 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.327 0.651 . . . . 73.2 111.473 -174.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.05 -45.06 63.87 Favored Glycine 0 C--N 1.349 1.282 0 N-CA-C 111.968 -0.453 . . . . 64.01 111.968 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.0 m -80.0 -25.69 40.18 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.28 0.632 . . . . 54.42 111.932 -177.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 130' ' ' HIS . 18.4 tp -118.58 111.19 18.26 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.708 0.403 . . . . 73.23 111.733 -168.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.575 ' HA ' ' HE2' ' A' ' 77' ' ' LYS . 8.9 pt-20 -87.36 -47.52 8.73 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.136 0.574 . . . . 70.22 110.687 169.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -97.17 107.2 19.67 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 109.126 -0.694 . . . . 72.31 109.126 -176.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.518 ' HA ' HD23 ' A' ' 127' ' ' LEU . 67.1 m-70 -73.49 166.36 23.37 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.122 0.569 . . . . 73.04 110.692 -175.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -84.08 37.87 0.63 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.262 0.625 . . . . 73.53 111.977 -175.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -76.87 76.54 3.46 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 121.748 0.785 . . . . 73.24 110.19 -175.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 174.78 149.56 0.09 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.645 1.978 . . . . 75.41 107.318 -176.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 . . . . . 0 CA--C 1.547 0.859 0 N-CA-C 108.667 -0.864 . . . . 73.11 108.667 -178.269 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mmm . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 110.083 -0.34 . . . . 71.31 110.083 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.568 ' HZ1' HD13 ' A' ' 54' ' ' ILE . 48.5 mtpt -95.86 158.7 15.33 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.542 0.687 . . . . 70.33 110.971 177.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -115.89 161.04 19.37 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-N 114.713 -1.13 . . . . 74.33 108.642 170.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.67 113.16 8.43 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 107.124 -1.435 . . . . 74.21 107.124 176.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.1 tt -107.71 130.07 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.389 0.675 . . . . 70.15 109.854 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mp -106.22 128.41 53.93 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 108.094 -1.076 . . . . 72.31 108.094 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 mp -104.17 142.83 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 106.811 -1.552 . . . . 70.11 106.811 165.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.449 ' CB ' HD12 ' A' ' 64' ' ' LEU . 27.2 t-20 -134.13 123.37 24.31 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.16 -1.052 . . . . 75.03 108.16 163.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 83' ' ' GLN . 7.9 t -145.77 129.0 16.72 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.32 -0.992 . . . . 63.13 108.32 167.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -89.49 11.54 19.1 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.824 -0.626 . . . . 73.21 110.113 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -92.92 104.57 16.79 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 107.86 -1.163 . . . . 73.42 107.86 171.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.79 -46.06 85.16 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.277 1.031 . . . . 74.24 111.889 -168.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 11.2 pt-20 -61.15 -39.25 89.37 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.868 -0.605 . . . . 75.03 111.4 -178.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.3 tp -69.49 -39.35 77.68 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.057 0.543 . . . . 75.41 110.677 -178.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.67 HG21 HG22 ' A' ' 57' ' ' ILE . 66.1 mt -51.2 -49.03 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 CA-C-O 121.236 0.541 . . . . 75.51 110.478 176.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 94.5 mttt -60.93 -39.99 91.51 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.308 -1.315 . . . . 75.22 111.152 -177.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 58.9 mtpt -68.53 -43.68 76.2 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.939 0.775 . . . . 73.4 111.054 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.438 ' O ' HG21 ' A' ' 22' ' ' VAL . 67.9 mt -61.14 -43.15 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 123.94 0.775 . . . . 73.03 109.987 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -49.59 -53.88 21.39 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 123.743 0.652 . . . . 74.55 110.44 174.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 71.4 mmtt -66.83 -34.56 78.07 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.304 0.642 . . . . 71.02 112.168 -173.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 17.0 mm-40 -59.73 -48.22 82.56 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.049 0.54 . . . . 70.02 110.028 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' ' 18' ' ' ILE . 58.4 t -76.25 -32.96 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 C-N-CA 124.829 1.252 . . . . 74.45 111.83 -172.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -76.74 -21.33 55.41 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.465 0.706 . . . . 63.32 110.695 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -70.8 -30.04 66.39 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.165 0.586 . . . . 74.31 110.203 169.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.673 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 45.1 mm-40 -83.7 -23.64 31.6 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.981 0.513 . . . . 75.13 110.589 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.97 7.3 57.56 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-N 116.017 -0.538 . . . . 73.41 113.436 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -76.32 163.25 27.19 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.219 0.608 . . . . 74.33 110.851 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.57 HE21 HG13 ' A' ' 54' ' ' ILE . 1.5 mp0 -86.37 111.59 20.64 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.852 -0.796 . . . . 63.33 108.852 -176.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.8 t -98.18 124.64 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 109.518 -0.549 . . . . 63.22 109.518 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.86 117.34 23.15 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 108.907 -0.775 . . . . 75.53 108.907 168.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.476 ' HA ' ' O ' ' A' ' 57' ' ' ILE . 7.3 p-10 -90.47 113.35 25.28 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 108.878 -0.786 . . . . 74.52 108.878 171.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.485 HG12 ' HB2' ' A' ' 38' ' ' LEU . 82.7 t -97.56 121.23 47.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 124.019 0.927 . . . . 73.33 109.072 177.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -110.69 -27.7 8.78 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.634 1.173 . . . . 62.0 108.74 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -135.78 154.12 51.32 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.739 1.215 . . . . 72.24 109.108 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.5 m -63.15 -22.05 66.6 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.35 1.06 . . . . 75.51 113.292 -172.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -82.72 -21.02 34.94 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.928 0.491 . . . . 73.31 111.621 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -75.73 -33.88 60.29 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.001 0.52 . . . . 73.34 109.766 171.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.528 HD13 ' HE3' ' A' ' 67' ' ' MET . 8.4 tp -64.88 -62.0 1.83 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.519 1.128 . . . . 72.32 110.546 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -58.8 -27.11 64.73 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.512 0.725 . . . . 65.42 111.961 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.548 ' HB2' ' HZ1' ' A' ' 40' ' ' LYS . 4.3 ttmp? -64.36 -54.9 25.67 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 125.331 1.452 . . . . 75.21 111.144 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -78.49 -27.41 46.21 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.58 -0.737 . . . . 71.41 111.349 -172.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.453 ' HE3' HD12 ' A' ' 45' ' ' LEU . 3.9 mmt -56.57 -41.86 77.63 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.067 0.947 . . . . 73.44 110.668 173.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -62.7 -44.19 96.88 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 115.594 -0.73 . . . . 74.42 110.752 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -64.62 -31.99 73.46 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.687 0.617 . . . . 73.4 111.162 -177.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.453 HD12 ' HE3' ' A' ' 42' ' ' MET . 79.9 mt -65.95 -42.24 90.25 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.109 0.564 . . . . 74.01 110.918 174.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.73 -41.03 75.84 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 123.869 0.731 . . . . 71.01 111.153 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.75 -55.22 9.11 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.319 0.648 . . . . 71.11 110.966 -176.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -78.62 115.11 18.1 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.349 -0.982 . . . . 64.2 108.349 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -80.74 -65.23 1.04 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.572 0.582 . . . . 75.13 112.572 -171.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -110.73 96.74 6.36 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 121.903 0.859 . . . . 74.22 111.818 -168.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -152.81 169.37 22.96 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.781 1.632 . . . . 74.13 106.988 167.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.49 -172.67 2.62 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 112.995 0.739 . . . . 75.4 112.995 -170.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -71.29 151.53 44.13 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.833 0.853 . . . . 72.34 110.738 -165.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.57 HG13 HE21 ' A' ' 28' ' ' GLN . 4.1 mp -118.73 141.71 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.53 0.732 . . . . 74.31 109.097 -174.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.42 HD22 HG23 ' A' ' 22' ' ' VAL . 5.5 tt -121.75 112.01 17.85 Favored 'General case' 0 C--O 1.245 0.868 0 C-N-CA 124.357 1.063 . . . . 74.41 109.657 -176.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 32.2 mm -104.8 110.71 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 115.446 -0.797 . . . . 74.23 109.93 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.67 HG22 HG21 ' A' ' 15' ' ' ILE . 54.0 mt -86.96 121.74 38.1 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 N-CA-C 107.399 -1.334 . . . . 72.33 107.399 171.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.5 t -114.13 138.93 49.78 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.734 -1.209 . . . . 75.22 107.734 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.455 ' N ' HD21 ' A' ' 59' ' ' ASN . 0.7 OUTLIER -89.28 -5.35 57.65 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.127 0.571 . . . . 64.43 110.463 -176.617 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -136.7 140.98 43.07 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.844 0.858 . . . . 75.11 110.014 -175.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -85.54 -17.78 35.33 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.215 0.606 . . . . 75.15 112.56 -173.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -76.27 -32.7 58.98 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.36 -0.607 . . . . 71.42 109.36 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.9 -32.86 74.4 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.569 0.748 . . . . 64.43 110.559 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.449 HD12 ' CB ' ' A' ' 8' ' ' ASN . 95.6 mt -58.13 -54.08 50.97 Favored 'General case' 0 C--N 1.359 1.012 0 O-C-N 123.766 0.666 . . . . 75.12 110.441 176.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.448 ' HE3' ' OE1' ' A' ' 100' ' ' GLN . 21.2 tptm -53.5 -48.69 68.73 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 124.284 0.99 . . . . 74.44 111.19 -173.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -59.35 -46.94 87.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.185 0.994 . . . . 63.43 110.885 177.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.528 ' HE3' HD13 ' A' ' 38' ' ' LEU . 30.2 ttm -63.95 -44.64 92.22 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.964 0.906 . . . . 65.51 111.194 -176.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 70.6 mt -53.97 -44.46 70.79 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 125.088 1.355 . . . . 71.35 111.075 177.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -67.55 -44.17 78.93 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.159 -0.928 . . . . 72.23 110.822 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.64 -45.99 92.0 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.369 0.668 . . . . 73.45 111.045 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.458 HG21 HG22 ' A' ' 78' ' ' VAL . 96.9 mt -62.7 -30.75 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.435 1.094 . . . . 71.21 111.733 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -62.41 -47.17 85.29 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.532 0.733 . . . . 72.31 111.051 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -6.51 58.53 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 112.172 0.434 . . . . 74.33 112.172 177.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.2 mt -74.63 -34.41 62.78 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 108.948 -0.76 . . . . 73.32 108.948 167.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.43 10.49 31.26 Favored Glycine 0 C--N 1.351 1.38 0 CA-C-O 119.61 -0.55 . . . . 73.11 114.313 171.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.402 ' HB2' HG23 ' A' ' 71' ' ' ILE . 24.0 m-85 -83.89 160.37 21.14 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 117.498 0.649 . . . . 72.14 109.793 177.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.438 ' HB2' ' HZ1' ' A' ' 77' ' ' LYS . 4.7 ttmp? -67.32 119.19 11.77 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.212 -1.033 . . . . 74.35 108.212 170.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.458 HG22 HG21 ' A' ' 71' ' ' ILE . 20.3 t -88.33 106.44 16.57 Favored 'Isoleucine or valine' 0 C--O 1.245 0.832 0 N-CA-C 108.234 -1.024 . . . . 74.42 108.234 -175.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -118.55 139.72 51.02 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.155 -1.054 . . . . 75.34 108.155 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.435 HD12 HD13 ' A' ' 64' ' ' LEU . 52.7 tp -135.98 144.77 45.55 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.411 1.085 . . . . 64.2 108.189 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.3 tp -141.93 113.53 7.8 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 106.725 -1.583 . . . . 73.34 106.725 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.423 ' HB2' HD23 ' A' ' 90' ' ' LEU . 1.1 pp -117.67 135.8 53.76 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.542 0.687 . . . . 74.22 111.306 -174.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.45 ' O ' ' HA ' ' A' ' 9' ' ' THR . 42.4 tp60 -137.8 139.83 40.22 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.795 1.638 . . . . 75.44 108.034 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.428 ' N ' HD13 ' A' ' 90' ' ' LEU . 6.8 t70 -164.14 165.35 22.26 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 107.709 -1.219 . . . . 73.03 107.709 178.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -77.18 -25.73 52.17 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.045 0.45 . . . . 75.23 109.794 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -97.42 98.88 10.32 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.413 1.085 . . . . 73.53 109.476 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -77.33 -22.09 52.38 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.084 0.553 . . . . 71.21 111.728 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -61.68 -42.33 98.78 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 110.053 -0.351 . . . . 74.51 110.053 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.98 -30.51 66.78 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.665 -0.698 . . . . 64.42 111.076 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 84' ' ' ASP . 63.5 mt -64.57 -49.38 71.4 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.656 0.382 . . . . 75.23 111.473 177.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -78.49 -31.06 47.58 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.546 0.529 . . . . 75.0 112.074 -170.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.5 -36.22 73.67 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 109.712 -0.477 . . . . 70.31 109.712 178.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.495 ' O ' HG12 ' A' ' 97' ' ' ILE . 45.2 t80 -69.97 -46.77 64.52 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.57 0.748 . . . . 74.54 109.733 173.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -55.5 -49.29 72.97 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.764 1.226 . . . . 74.3 111.743 -176.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -60.42 -33.89 73.16 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.717 0.807 . . . . 73.55 111.742 -176.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -69.51 -42.3 74.9 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.18 0.592 . . . . 72.43 110.107 177.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 93' ' ' PHE . 37.3 mm -66.1 -37.4 79.7 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.371 0 CA-C-N 115.156 -0.929 . . . . 75.42 110.369 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -65.64 -38.32 89.05 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.803 0.841 . . . . 73.41 111.192 172.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.0 t -69.28 -18.05 63.81 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.889 0.876 . . . . 51.32 111.434 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.448 ' OE1' ' HE3' ' A' ' 65' ' ' LYS . 65.3 mt-30 -97.25 -2.51 42.56 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.105 0.962 . . . . 75.42 111.417 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.45 8.93 70.17 Favored Glycine 0 C--N 1.346 1.105 0 N-CA-C 114.272 0.469 . . . . 62.23 114.272 174.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.422 ' HB2' HG23 ' A' ' 97' ' ' ILE . 23.8 m-85 -84.55 136.12 33.93 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 117.278 0.539 . . . . 73.22 109.665 176.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -76.6 102.46 6.13 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.289 0.635 . . . . 74.23 109.35 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 p -118.53 137.81 51.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.344 0.658 . . . . 72.33 110.368 177.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -113.95 145.12 41.97 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 107.95 -1.13 . . . . 75.3 107.95 174.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -116.58 135.52 53.73 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.263 -0.643 . . . . 75.41 109.263 175.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.431 HG22 ' HB2' ' A' ' 83' ' ' GLN . 17.3 m -124.32 160.62 28.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 C-N-CA 123.983 0.913 . . . . 74.3 109.022 176.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.5 m -117.13 -4.14 11.47 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.54 0.736 . . . . 74.52 110.49 -176.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -148.8 160.26 43.38 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 121.43 0.633 . . . . 72.14 112.091 -172.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -50.04 -59.04 4.28 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.43 1.892 . . . . 65.24 112.458 175.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.51 -20.56 60.63 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.698 0.399 . . . . 75.04 112.016 -171.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.35 -46.68 79.24 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 110.112 -0.329 . . . . 74.24 110.112 170.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.1 -48.13 81.56 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.322 -0.854 . . . . 72.12 110.663 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.6 -41.01 89.32 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.536 0.734 . . . . 72.34 110.851 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -62.56 -53.15 59.03 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 115.464 -0.789 . . . . 73.32 111.39 -178.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 23.7 mt -66.88 -32.6 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 123.019 0.527 . . . . 71.21 111.517 -175.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 25.4 t -55.62 -48.44 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 123.536 0.734 . . . . 74.32 111.049 172.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 -73.9 -42.58 60.47 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.815 -0.63 . . . . 74.4 110.97 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -56.5 -44.54 80.82 Favored 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 123.726 0.81 . . . . 74.53 111.363 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -45.57 -45.26 13.51 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.678 1.191 . . . . 72.42 111.731 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.673 ' SD ' ' HG3' ' A' ' 25' ' ' GLN . 51.0 mtt -66.14 -26.43 67.43 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.371 -1.286 . . . . 73.34 112.622 -170.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -99.63 -30.97 11.82 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.09 0.556 . . . . 74.35 110.658 173.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.537 ' HA ' ' HB2' ' A' ' 127' ' ' LEU . 1.3 tppp? -84.32 -54.35 4.84 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.851 0.86 . . . . 73.01 110.747 -164.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.63 -15.48 61.28 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.875 0.87 . . . . 74.02 112.426 -177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.24 -78.07 0.15 Allowed Glycine 0 C--N 1.357 1.701 0 O-C-N 124.047 0.842 . . . . 73.22 112.462 173.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 71.0 m -155.66 28.74 0.38 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.692 0.797 . . . . 65.22 111.042 178.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' A' ' 123' ' ' LYS . 88.6 mt -110.48 114.34 27.68 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.134 0.574 . . . . 73.54 109.978 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.28 149.28 48.66 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.548 0.739 . . . . 74.44 110.31 176.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 -116.47 95.06 4.88 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.89 0.876 . . . . 71.24 109.19 -176.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -74.13 80.3 1.76 Allowed 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 122.114 0.959 . . . . 72.54 110.402 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -82.53 94.3 7.46 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.316 -0.857 . . . . 73.53 109.081 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -109.94 81.25 1.41 Allowed 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 108.952 -0.758 . . . . 65.13 108.952 174.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -118.06 -5.89 10.95 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.865 0.866 . . . . 73.12 109.929 172.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 56.6 t60 . . . . . 0 C--O 1.251 1.132 0 C-N-CA 124.213 1.005 . . . . 72.1 108.422 178.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 ttp . . . . . 0 N--CA 1.487 1.377 0 N-CA-C 109.427 -0.583 . . . . 72.23 109.427 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -126.94 145.03 50.83 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 123.728 0.811 . . . . 75.24 109.341 171.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.504 ' HG2' ' HB3' ' A' ' 124' ' ' ALA . 1.7 mp0 -128.6 144.47 51.16 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 114.086 -1.415 . . . . 70.41 107.506 177.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.511 ' HB2' HG23 ' A' ' 71' ' ' ILE . 4.2 mm? -125.24 112.14 16.06 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 107.863 -1.162 . . . . 74.42 107.863 175.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 tt -97.75 124.17 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 108.425 -0.954 . . . . 75.33 108.425 175.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mp -103.18 121.75 43.31 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 107.824 -1.176 . . . . 73.34 107.824 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.524 HG21 HD13 ' A' ' 18' ' ' ILE . 2.2 mp -98.86 138.97 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 108.063 -1.088 . . . . 73.34 108.063 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.579 ' HB3' ' HA ' ' A' ' 82' ' ' LEU . 7.7 t-20 -123.33 112.87 18.11 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 108.397 -0.964 . . . . 75.51 108.397 176.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.615 HG21 HG12 ' A' ' 15' ' ' ILE . 1.5 t -144.46 131.51 20.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.892 0.745 . . . . 71.24 109.097 175.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -102.55 13.2 35.13 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.192 -0.913 . . . . 74.35 110.765 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.422 ' O ' HG13 ' A' ' 15' ' ' ILE . 39.8 t30 -109.42 113.73 26.78 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.324 -0.991 . . . . 75.45 108.324 174.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.31 -39.71 80.08 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.633 1.173 . . . . 73.14 111.308 -174.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.16 -36.33 77.26 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.68 -1.146 . . . . 72.4 110.913 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.432 ' O ' HG13 ' A' ' 18' ' ' ILE . 26.1 tp -69.55 -37.61 77.11 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 118.923 -0.56 . . . . 73.35 110.185 177.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.615 HG12 HG21 ' A' ' 9' ' ' THR . 55.2 mt -53.91 -50.39 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 123.092 0.557 . . . . 73.02 110.452 177.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -64.43 -36.05 82.9 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.136 -0.938 . . . . 73.12 111.842 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 55.2 mtpt -65.96 -42.79 89.47 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 123.469 0.481 . . . . 75.23 110.548 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.524 HD13 HG21 ' A' ' 7' ' ' ILE . 87.4 mt -60.33 -43.91 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 124.07 0.856 . . . . 64.52 109.579 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.488 ' HE3' HG21 ' A' ' 15' ' ' ILE . 98.7 mttt -51.89 -42.9 63.06 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 123.827 0.704 . . . . 64.45 111.28 175.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -66.06 -44.26 85.03 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.393 0.677 . . . . 74.55 111.455 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 16.1 mm-40 -59.73 -44.13 93.89 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.554 0.742 . . . . 75.35 110.835 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 18' ' ' ILE . 94.0 t -68.25 -33.88 63.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.869 1.268 . . . . 74.22 111.343 -175.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.23 -26.87 62.19 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.187 0.595 . . . . 72.42 110.782 174.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -79.81 -21.19 44.56 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.382 0.673 . . . . 63.11 110.044 174.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 75.6 mm-40 -87.6 -18.63 29.24 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.387 0.675 . . . . 75.12 109.887 171.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.02 37.7 15.15 Favored Glycine 0 C--N 1.351 1.394 0 C-N-CA 123.515 0.578 . . . . 33.25 113.747 174.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.573 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 5.7 m-85 -107.6 163.0 13.45 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.858 0.863 . . . . 74.23 110.803 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.544 HE21 HG13 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -77.72 110.32 12.47 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 107.536 -1.283 . . . . 74.12 107.536 176.656 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -83.58 117.09 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.124 0.569 . . . . 70.31 109.57 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.8 mmm-85 -122.29 141.44 51.52 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 107.887 -1.153 . . . . 75.34 107.887 172.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -128.78 138.51 52.13 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.381 0.672 . . . . 74.52 109.194 171.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.532 HG12 ' HB3' ' A' ' 38' ' ' LEU . 51.2 t -123.31 124.67 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.175 1.39 . . . . 73.15 108.643 -175.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -123.64 9.75 8.99 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.003 0.521 . . . . 73.15 111.274 -178.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -158.91 154.89 26.69 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.51 0.724 . . . . 51.32 109.983 -175.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.2 p -68.29 -25.08 64.97 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.033 0.933 . . . . 75.35 113.173 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -84.11 -26.83 28.63 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 110.046 -0.353 . . . . 74.44 110.046 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -65.09 -36.11 83.27 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.408 0.683 . . . . 75.03 111.95 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.532 ' HB3' HG12 ' A' ' 32' ' ' VAL . 4.4 pp -75.92 -45.62 34.26 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.195 0.309 . . . . 74.54 110.945 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 17.4 ptpt -66.74 -33.75 76.32 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 122.698 0.399 . . . . 75.22 111.215 -172.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -69.69 -38.23 76.93 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.376 0.67 . . . . 74.23 111.345 -175.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -88.42 -25.29 22.73 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.299 0.64 . . . . 71.11 111.049 -177.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.46 ' SD ' HD13 ' A' ' 45' ' ' LEU . 14.6 mmt -62.96 -28.27 69.97 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 123.761 0.824 . . . . 72.03 111.592 172.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 28.1 mtpp -58.07 -49.19 77.78 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.64 0.776 . . . . 73.51 109.998 171.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -72.11 -27.9 62.94 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.121 -0.945 . . . . 74.24 111.546 -177.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.46 HD13 ' SD ' ' A' ' 42' ' ' MET . 88.4 mt -69.94 -38.81 76.28 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 122.487 0.315 . . . . 74.32 110.259 174.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.3 -39.78 85.99 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.86 0.864 . . . . 55.4 111.599 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -74.25 -55.63 5.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.637 0.775 . . . . 74.45 111.085 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -86.65 93.47 9.23 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.483 -0.78 . . . . 74.12 111.302 -171.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -105.01 3.21 30.34 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.278 1.031 . . . . 72.3 110.775 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -90.41 -2.59 57.96 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.808 0.843 . . . . 73.14 112.524 -170.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -124.21 171.41 9.87 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 122.818 0.447 . . . . 74.41 109.915 176.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.07 169.37 15.12 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.949 0.9 . . . . 74.32 112.894 -173.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.76 146.0 8.65 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 113.253 -1.794 . . . . 75.24 113.358 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.544 HG13 HE21 ' A' ' 28' ' ' GLN . 3.7 mp -115.52 148.77 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.9 1.28 . . . . 75.34 108.291 -174.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 tt -106.17 121.36 44.02 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.144 0.578 . . . . 73.4 109.641 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.4 mm -103.35 140.27 22.01 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 C-N-CA 124.203 1.001 . . . . 73.32 109.255 176.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.457 HG21 HG23 ' A' ' 15' ' ' ILE . 61.4 mt -117.32 149.24 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 N-CA-C 107.199 -1.408 . . . . 74.54 107.199 169.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.5 t -155.75 124.78 6.13 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 123.788 0.835 . . . . 74.24 109.1 176.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -67.88 -35.98 79.46 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.004 0.921 . . . . 73.3 111.117 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -94.93 142.02 27.96 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.73 0.812 . . . . 72.13 111.327 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -86.08 -27.98 24.36 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.321 1.048 . . . . 75.33 112.505 -173.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -73.8 -29.19 62.03 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.981 -0.377 . . . . 75.54 109.981 177.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.6 mt -66.76 -39.92 88.07 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.052 0.541 . . . . 73.33 109.966 173.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.556 HD11 ' HB2' ' A' ' 8' ' ' ASN . 90.0 mt -55.38 -54.47 43.27 Favored 'General case' 0 C--N 1.362 1.13 0 O-C-N 124.271 0.982 . . . . 73.1 110.408 176.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -56.33 -43.86 79.45 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 124.648 1.218 . . . . 72.54 111.464 -172.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -59.74 -50.93 71.91 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.899 -0.592 . . . . 72.21 111.528 173.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.74 -37.76 88.57 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.521 0.563 . . . . 71.52 112.521 -177.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 65.3 mt -57.15 -36.9 71.3 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.709 0.804 . . . . 75.31 110.636 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -74.37 -41.42 61.04 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.19 -0.914 . . . . 74.42 111.52 177.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.55 -52.12 66.53 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.39 0.676 . . . . 71.23 110.816 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.511 HG23 ' HB2' ' A' ' 4' ' ' LEU . 54.9 mt -64.45 -32.86 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 124.389 1.076 . . . . 63.2 110.904 -177.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.9 t -65.94 -45.99 79.78 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.066 -0.97 . . . . 61.1 111.258 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.42 -22.1 57.66 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 119.804 -0.141 . . . . 75.33 111.053 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.3 mt -71.39 -25.76 62.5 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.991 0.516 . . . . 73.34 110.195 170.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.94 12.34 55.49 Favored Glycine 0 C--N 1.343 0.922 0 CA-C-N 116.052 -0.522 . . . . 50.32 113.262 172.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -85.74 158.94 19.9 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 109.868 -0.419 . . . . 70.43 109.868 175.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -74.27 117.03 15.61 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.899 -0.778 . . . . 74.44 108.899 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.1 t -90.45 124.55 43.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 C-N-CA 123.234 0.614 . . . . 75.33 109.406 -175.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -126.18 144.1 50.89 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 107.885 -1.154 . . . . 72.31 107.885 175.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 64' ' ' LEU . 52.4 tp -136.1 142.71 44.32 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.651 -0.87 . . . . 73.41 108.651 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.9 tp -142.33 114.43 8.21 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 106.147 -1.797 . . . . 74.45 106.147 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.579 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 1.1 pp -127.44 145.03 50.97 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 112.15 0.426 . . . . 74.14 112.15 -169.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.527 ' HB3' HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -141.68 148.96 39.94 Favored 'General case' 0 C--O 1.246 0.892 0 C-N-CA 123.884 0.874 . . . . 75.12 109.238 174.384 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -164.32 160.99 21.54 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 107.878 -1.156 . . . . 61.45 107.878 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -72.43 -31.22 65.3 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.661 0.384 . . . . 74.11 110.673 177.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -94.24 97.45 10.26 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.742 0.817 . . . . 74.23 109.12 170.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.18 -22.5 62.95 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.916 0.886 . . . . 72.41 111.236 -177.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -63.22 -27.49 69.39 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.706 0.802 . . . . 74.4 111.992 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -78.24 -33.25 49.86 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 120.845 0.355 . . . . 74.12 110.09 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.97 -39.55 83.31 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.994 0.918 . . . . 73.52 111.907 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -66.57 -39.1 88.3 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.583 0.353 . . . . 73.23 110.83 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -72.68 -39.65 66.91 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.5 0.72 . . . . 72.34 111.822 -176.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.466 ' O ' HG12 ' A' ' 97' ' ' ILE . 2.3 t80 -67.32 -47.04 71.7 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 109.545 -0.539 . . . . 73.21 109.545 176.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.519 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 27.2 ttpp -58.52 -50.31 74.23 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.911 0.885 . . . . 71.12 112.664 -176.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -62.58 -21.86 65.92 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 112.847 0.684 . . . . 73.14 112.847 -175.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -68.53 -52.06 36.11 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 109.025 -0.731 . . . . 70.14 109.025 170.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.469 HG21 ' HB2' ' A' ' 102' ' ' TYR . 29.3 mm -67.72 -35.77 73.77 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.216 0 CA-C-N 114.37 -1.286 . . . . 71.25 111.513 -170.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -55.43 -51.28 67.42 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 123.724 0.809 . . . . 74.55 111.299 170.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.0 t -64.67 -31.74 73.1 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.626 -1.17 . . . . 73.11 111.043 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -80.41 5.09 15.99 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.694 0.798 . . . . 71.44 111.763 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.53 0.29 82.23 Favored Glycine 0 C--N 1.355 1.634 0 C-N-CA 123.089 0.376 . . . . 74.43 114.016 169.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.469 ' HB2' HG21 ' A' ' 97' ' ' ILE . 6.0 m-85 -90.8 149.23 22.06 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 109.316 -0.624 . . . . 74.1 109.316 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -83.84 126.69 33.2 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.707 -0.849 . . . . 73.32 108.707 174.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.443 HG23 ' HG3' ' A' ' 94' ' ' LYS . 3.8 p -137.78 142.96 34.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 C-N-CA 123.245 0.618 . . . . 75.1 110.148 -176.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.492 ' HA ' ' HE ' ' A' ' 105' ' ' ARG . 1.6 mmp_? -130.66 126.99 38.0 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 124.07 0.948 . . . . 75.04 109.654 -174.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.519 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 25.6 ttmt -92.92 136.04 33.61 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.054 0.541 . . . . 74.53 110.147 174.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.527 HG21 ' HB3' ' A' ' 83' ' ' GLN . 34.1 m -140.22 171.86 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.303 1.041 . . . . 73.32 108.286 167.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.4 m -137.91 -38.48 0.57 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.371 0.669 . . . . 71.4 109.445 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.444 ' HB2' ' HG2' ' A' ' 112' ' ' GLU . 15.4 m-20 -83.09 156.63 23.21 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 115.631 -0.713 . . . . 52.35 111.499 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -54.45 -55.1 32.28 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 113.752 -1.567 . . . . 73.45 110.47 170.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -58.26 -40.83 82.85 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.679 -1.146 . . . . 72.13 111.862 -175.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.636 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 33.4 mm-40 -66.21 -35.78 81.33 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.758 0.823 . . . . 74.43 111.226 -177.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -65.35 -46.43 80.25 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.661 -0.7 . . . . 63.42 110.982 177.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.456 HD21 ' HG3' ' A' ' 21' ' ' GLU . 35.1 mt -67.68 -27.63 67.0 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.317 0.647 . . . . 70.03 111.334 -177.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.636 ' HD3' ' HA ' ' A' ' 112' ' ' GLU . 25.1 mtpp -65.22 -58.67 5.38 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.753 0.821 . . . . 74.21 111.002 176.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 14.8 mt -67.53 -23.34 29.72 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.223 0 N-CA-C 112.578 0.584 . . . . 75.41 112.578 -170.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 113' ' ' ALA . 70.0 t -48.46 -44.35 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 C-N-CA 123.215 0.606 . . . . 74.14 110.515 167.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -69.61 -46.33 66.52 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.409 0.684 . . . . 74.52 110.762 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 0.7 OUTLIER -58.25 -35.02 71.12 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.086 0.555 . . . . 73.05 112.035 -177.813 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.643 ' HD2' ' SD ' ' A' ' 121' ' ' MET . 59.7 t80 -54.66 -47.03 74.07 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.223 0.609 . . . . 74.21 111.308 171.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.643 ' SD ' ' HD2' ' A' ' 120' ' ' PHE . 8.8 mmt -58.22 -29.79 65.98 Favored 'General case' 0 N--CA 1.483 1.175 0 O-C-N 124.369 1.043 . . . . 74.43 112.401 -171.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -98.86 -33.33 10.92 Favored 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 123.356 0.662 . . . . 73.41 112.17 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.403 ' HE3' ' O ' ' A' ' 123' ' ' LYS . 0.2 OUTLIER -76.63 -53.41 8.06 Favored 'General case' 0 N--CA 1.498 1.938 0 C-N-CA 123.59 0.756 . . . . 74.5 110.089 -170.623 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.504 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . . . -70.18 -7.68 43.82 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 115.652 -0.703 . . . . 74.31 112.828 -174.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -79.69 65.39 3.71 Favored Glycine 0 C--N 1.351 1.411 0 N-CA-C 110.743 -0.943 . . . . 65.0 110.743 169.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 66.1 m -144.9 100.2 3.46 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 124.151 0.981 . . . . 44.3 109.261 -176.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -78.74 90.85 4.64 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 107.959 -1.126 . . . . 74.25 107.959 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -79.5 132.51 36.35 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.093 0.557 . . . . 72.42 111.165 -175.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -102.22 28.34 5.95 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.103 0.961 . . . . 71.43 109.637 170.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -59.18 122.72 14.52 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 123.791 0.836 . . . . 73.43 109.592 174.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -66.48 140.15 58.0 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 124.312 1.008 . . . . 75.13 110.637 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -73.01 -7.73 52.54 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.991 0.916 . . . . 74.43 112.197 -173.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -116.18 117.19 29.35 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.768 0.827 . . . . 72.53 109.233 169.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 24.4 p80 . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 109.481 -0.563 . . . . 74.5 109.481 173.51 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mmm . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 121.144 0.497 . . . . 63.42 110.309 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.553 ' HZ1' ' HE1' ' A' ' 51' ' ' PHE . 34.9 ttpt -160.6 109.78 1.69 Allowed 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 106.417 -1.697 . . . . 75.32 106.417 177.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.592 ' HA ' ' HB3' ' A' ' 77' ' ' LYS . 3.9 mm-40 -82.04 141.51 33.13 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.137 0.575 . . . . 73.33 111.252 -163.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -126.91 114.49 17.94 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.077 0.551 . . . . 73.44 110.025 -176.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.8 tt -108.43 125.05 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.733 0.813 . . . . 74.15 109.213 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -110.09 118.63 36.9 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 108.287 -1.005 . . . . 74.11 108.287 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.447 HG21 HD12 ' A' ' 18' ' ' ILE . 2.6 mp -98.72 127.24 51.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 108.746 -0.835 . . . . 72.43 108.746 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.491 ' HB3' ' HA ' ' A' ' 82' ' ' LEU . 4.8 t-20 -101.83 112.59 25.25 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 106.964 -1.495 . . . . 74.22 106.964 173.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.483 HG21 HG12 ' A' ' 15' ' ' ILE . 1.7 t -144.15 119.43 10.2 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.401 0.619 . . . . 72.41 109.967 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -92.89 7.35 44.27 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 114.891 -1.049 . . . . 71.51 110.421 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.492 ' ND2' ' HB2' ' A' ' 14' ' ' LEU . 42.1 t30 -104.65 107.23 18.07 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.797 0.839 . . . . 65.5 109.302 178.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -60.86 -44.45 96.99 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.09 0.956 . . . . 74.23 112.682 -171.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -32.46 74.14 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 123.446 0.466 . . . . 75.14 110.553 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.492 ' HB2' ' ND2' ' A' ' 11' ' ' ASN . 32.9 tp -68.18 -42.88 79.29 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 123.442 0.464 . . . . 65.43 110.249 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.526 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 54.0 mt -52.75 -46.53 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 124.289 0.993 . . . . 75.34 110.274 178.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -59.49 -46.72 87.99 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 124.356 1.035 . . . . 75.32 110.51 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 43.8 mtpt -64.19 -40.08 95.35 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 114.811 -1.086 . . . . 75.11 111.594 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.465 ' O ' HG21 ' A' ' 22' ' ' VAL . 96.1 mt -60.41 -48.38 88.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 O-C-N 123.833 0.708 . . . . 74.43 109.28 178.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.598 ' HG2' HG11 ' A' ' 29' ' ' VAL . 86.3 mttt -52.52 -46.87 66.88 Favored 'General case' 0 C--N 1.359 0.994 0 O-C-N 124.144 0.902 . . . . 74.4 111.071 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -64.4 -41.45 96.65 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 124.257 0.973 . . . . 73.04 111.5 -177.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 31.2 mm-40 -63.72 -45.54 89.48 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.13 0.491 . . . . 75.24 111.459 177.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 18' ' ' ILE . 98.1 t -71.18 -36.08 60.96 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 124.193 0.997 . . . . 74.13 111.365 -173.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.88 -27.64 63.97 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.352 0.661 . . . . 73.34 110.986 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -69.84 -34.87 74.21 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.903 0.481 . . . . 74.14 110.056 172.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 12.0 mm-40 -79.75 -22.2 43.54 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.183 0.593 . . . . 74.3 110.711 178.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.8 36.85 7.1 Favored Glycine 0 C--N 1.348 1.247 0 CA-C-N 116.366 -0.379 . . . . 75.21 113.797 174.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.434 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 0.7 OUTLIER -107.2 154.98 20.41 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 108.543 -0.91 . . . . 75.42 108.543 174.59 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.45 ' HB2' HG23 ' A' ' 54' ' ' ILE . 1.8 mp0 -79.61 113.87 18.1 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.982 -0.747 . . . . 75.14 108.982 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.598 HG11 ' HG2' ' A' ' 19' ' ' LYS . 21.6 t -88.75 104.5 14.87 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 N-CA-C 109.788 -0.449 . . . . 74.53 109.788 177.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.75 104.84 12.36 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 107.803 -1.184 . . . . 75.32 107.803 176.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -100.1 144.44 29.13 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 109.511 -0.552 . . . . 54.15 109.511 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.469 HG11 ' HB3' ' A' ' 38' ' ' LEU . 98.5 t -115.63 120.9 66.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 124.124 0.97 . . . . 74.24 109.766 -173.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -114.6 -8.56 12.71 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.727 0.811 . . . . 75.31 109.958 174.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -138.3 151.01 47.19 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.632 0.773 . . . . 73.32 111.176 -169.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.0 p -65.94 -35.27 80.15 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.759 1.224 . . . . 74.12 113.047 -177.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.491 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 19.1 m-20 -87.89 -20.14 26.4 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.171 0.588 . . . . 72.21 109.812 -175.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.502 ' HA ' ' HE3' ' A' ' 40' ' ' LYS . 4.7 tp10 -68.12 -42.66 79.88 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.526 1.13 . . . . 73.54 110.753 172.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.469 ' HB3' HG11 ' A' ' 32' ' ' VAL . 2.4 pp -64.13 -43.26 95.8 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-N 117.832 0.287 . . . . 73.42 110.494 -175.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 18.6 ptpt -68.61 -34.31 75.54 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.135 0.574 . . . . 73.25 111.562 -171.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.502 ' HE3' ' HA ' ' A' ' 37' ' ' GLU . 20.6 pttp -77.74 -30.04 51.39 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.307 -0.406 . . . . 74.34 110.554 -176.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -82.4 -25.48 33.69 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.829 0.452 . . . . 73.2 111.579 176.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.476 ' HA ' ' HE2' ' A' ' 42' ' ' MET . 31.4 mmt -65.77 -33.13 75.17 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.572 0.349 . . . . 71.43 110.322 170.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 27.2 mtpp -68.13 -42.04 80.77 Favored 'General case' 0 C--O 1.207 -1.134 0 CA-C-N 116.028 -0.533 . . . . 73.15 109.981 173.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -52.7 -34.19 51.12 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 123.532 0.733 . . . . 72.43 112.521 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.6 mt -67.26 -37.1 82.92 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.155 0.582 . . . . 74.21 111.415 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.94 -54.27 5.46 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.05 0.94 . . . . 71.13 111.495 -176.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 12.0 mm-40 -60.81 -44.98 96.15 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.11 0.964 . . . . 74.42 110.329 -175.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -95.49 114.5 26.27 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 107.671 -1.233 . . . . 74.15 107.671 175.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HA ' ' HZ3' ' A' ' 2' ' ' LYS . 38.4 ttpt -104.45 -49.35 3.58 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.555 0.342 . . . . 75.34 111.812 -174.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -74.22 -14.22 60.9 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 113.434 0.901 . . . . 75.13 113.434 -165.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.553 ' HE1' ' HZ1' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -73.25 153.67 40.52 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 117.987 0.358 . . . . 74.33 110.051 178.17 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.52 171.16 2.7 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.933 0.893 . . . . 73.14 111.942 -177.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -63.5 147.74 50.55 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.305 -0.861 . . . . 73.03 112.364 -173.569 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.45 HG23 ' HB2' ' A' ' 28' ' ' GLN . 3.8 mp -111.17 145.07 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 114.82 -1.082 . . . . 75.31 109.638 -166.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 tt -107.72 113.73 27.19 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.519 0.727 . . . . 74.02 109.093 173.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.6 mm -96.56 139.18 19.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 108.422 -0.955 . . . . 71.32 108.422 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.6 mt -119.31 152.85 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 107.508 -1.293 . . . . 74.53 107.508 167.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.2 t -150.93 151.27 31.92 Favored 'General case' 0 C--O 1.244 0.777 0 C-N-CA 123.135 0.574 . . . . 75.25 109.919 172.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -72.68 -62.15 1.55 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 114.849 -1.068 . . . . 72.02 110.089 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -102.45 152.25 21.35 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.195 -0.911 . . . . 71.11 110.344 -169.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.549 ' HA ' HD13 ' A' ' 64' ' ' LEU . 64.2 mttp -74.81 -16.75 60.69 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.949 0.9 . . . . 73.23 113.18 -175.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -71.01 -37.68 72.65 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.91 0.386 . . . . 74.51 110.421 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.433 HD11 HG13 ' A' ' 32' ' ' VAL . 44.5 mt -67.73 -41.15 83.91 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 115.234 -0.894 . . . . 75.4 108.718 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.594 HD12 HD11 ' A' ' 80' ' ' LEU . 94.8 mt -56.66 -53.21 60.31 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 114.365 -1.289 . . . . 72.42 111.174 175.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -50.47 -48.17 56.72 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 124.447 1.092 . . . . 74.33 111.628 -173.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -61.45 -51.69 67.66 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 123.999 0.812 . . . . 74.43 111.354 175.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 79.0 mtm -61.87 -39.64 92.6 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 123.559 0.537 . . . . 75.23 112.445 -174.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 64.5 mt -56.75 -40.1 75.18 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.148 0.979 . . . . 75.13 111.574 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.584 ' HG2' ' HH ' ' A' ' 102' ' ' TYR . 44.1 mt-10 -79.74 -32.13 41.07 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 114.992 -1.004 . . . . 65.11 111.006 -176.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 97.2 mt -69.53 -42.65 74.37 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.919 -0.582 . . . . 71.13 110.512 176.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.461 HG22 ' HB2' ' A' ' 76' ' ' TYR . 96.7 mt -65.47 -33.3 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.928 0.891 . . . . 73.35 110.465 175.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.3 t -66.0 -43.69 86.99 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.317 -0.856 . . . . 71.31 111.107 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -20.05 59.1 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 111.361 0.134 . . . . 73.23 111.361 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 95.6 mt -74.07 -30.03 62.18 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 109.446 -0.575 . . . . 71.51 109.446 171.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.94 17.31 30.5 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.331 -0.849 . . . . 54.12 112.57 174.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.461 ' HB2' HG22 ' A' ' 71' ' ' ILE . 20.3 m-85 -88.07 166.88 14.12 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.458 0.703 . . . . 75.54 110.748 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.592 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -67.05 114.44 5.83 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.09 -0.959 . . . . 74.32 109.398 174.628 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.7 t -90.55 106.5 17.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 108.38 -0.97 . . . . 74.31 108.38 174.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -119.48 134.78 55.06 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 106.492 -1.67 . . . . 74.15 106.492 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.594 HD11 HD12 ' A' ' 64' ' ' LEU . 58.9 tp -133.95 102.45 5.43 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 109.434 -0.58 . . . . 72.03 109.434 -176.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 52.2 tp -94.08 112.27 24.08 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 107.753 -1.203 . . . . 74.55 107.753 172.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.491 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 0.8 OUTLIER -113.03 137.33 51.58 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.19 0.45 . . . . 75.3 110.853 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.59 133.69 29.44 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 123.794 0.838 . . . . 73.42 109.441 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -154.8 164.41 38.85 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 124.986 1.314 . . . . 53.55 108.246 174.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -81.31 -13.33 58.52 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.539 -0.755 . . . . 70.42 110.143 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -108.17 116.39 31.87 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.768 0.827 . . . . 71.41 108.85 170.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.46 ' HG3' ' HD3' ' A' ' 106' ' ' LYS . 43.1 tt0 -77.27 -23.65 51.16 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.958 0.903 . . . . 75.23 111.663 -177.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -64.2 -40.11 95.4 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 122.699 0.4 . . . . 71.23 110.193 -176.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.63 -37.03 79.41 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.089 0.956 . . . . 73.43 110.949 176.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.59 -47.13 85.16 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.883 -0.598 . . . . 63.01 111.111 177.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 106' ' ' LYS . 12.8 pt-20 -82.17 -28.62 31.98 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 118.701 -0.666 . . . . 75.53 112.466 -170.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.67 -42.02 74.74 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 118.314 0.506 . . . . 74.44 110.163 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.457 ' O ' HG12 ' A' ' 97' ' ' ILE . 41.8 t80 -73.25 -43.25 61.47 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 115.898 -0.592 . . . . 70.32 109.788 177.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 56.3 tttp -56.6 -47.11 80.31 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 118.98 -0.533 . . . . 73.14 111.612 178.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -68.02 -26.13 65.73 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 123.276 0.36 . . . . 74.31 111.866 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -66.38 -48.28 70.65 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.354 -0.61 . . . . 73.11 109.354 170.005 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 93' ' ' PHE . 47.7 mm -67.88 -28.64 42.14 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.163 0 C-N-CA 124.07 0.948 . . . . 74.01 111.808 -177.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 63.4 mm-40 -58.38 -47.87 82.47 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.817 0.847 . . . . 70.14 110.18 167.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.1 t -70.05 -30.87 68.25 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.096 -0.956 . . . . 75.33 110.995 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 87.7 mm-40 -75.91 -20.82 57.7 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.651 0.78 . . . . 74.22 110.317 176.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.79 39.82 10.12 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 123.498 0.499 . . . . 72.01 113.6 173.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.584 ' HH ' ' HG2' ' A' ' 69' ' ' GLU . 27.7 m-85 -114.34 149.8 35.5 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.272 -0.64 . . . . 72.15 109.272 174.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -67.77 116.15 8.13 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.547 0.739 . . . . 73.51 109.419 175.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.2 p -137.18 126.21 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 123.333 0.653 . . . . 75.21 110.935 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -110.97 144.03 40.71 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.206 1.003 . . . . 72.35 109.238 177.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.46 ' HD3' ' HG3' ' A' ' 87' ' ' GLU . 32.1 ttmt -111.8 141.44 45.43 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.222 0.609 . . . . 74.45 110.492 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.1 m -144.71 125.59 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.117 0.967 . . . . 73.31 108.897 168.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.5 m -77.75 -29.77 51.23 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 121.532 0.682 . . . . 72.41 109.658 172.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -83.5 135.89 34.49 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 114.993 -1.003 . . . . 61.51 110.224 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.13 -35.31 74.0 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.025 0.93 . . . . 70.12 111.317 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.7 -34.67 74.23 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.333 0.653 . . . . 73.22 111.126 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -74.56 -23.85 58.84 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.213 0.605 . . . . 74.34 111.093 177.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.99 97.89 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.533 0.521 . . . . 74.42 110.319 171.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.462 ' O ' ' HD3' ' A' ' 118' ' ' ARG . 96.1 mt -61.76 -42.19 98.66 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 115.897 -0.592 . . . . 74.33 109.99 175.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -58.46 -48.58 80.28 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.293 0.637 . . . . 73.14 111.361 -176.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.403 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 37.2 mt -71.89 -25.51 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 O-C-N 123.643 0.589 . . . . 61.33 111.608 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 38.0 t -59.19 -48.84 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 122.601 0.36 . . . . 74.22 110.077 170.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.462 ' HD3' ' O ' ' A' ' 114' ' ' LEU . 1.1 mpt_? -69.04 -37.18 78.45 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 116.544 -0.298 . . . . 75.44 110.78 177.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 123' ' ' LYS . 44.2 mt-10 -60.63 -38.02 83.39 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 119.071 -0.49 . . . . 62.35 111.571 175.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -57.27 -31.43 65.59 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.504 0.322 . . . . 75.23 111.021 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.434 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 14.7 mmt -62.45 -26.96 68.79 Favored 'General case' 0 CA--C 1.559 1.327 0 C-N-CA 122.899 0.48 . . . . 74.44 111.805 -178.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -100.41 -29.84 12.17 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 123.255 0.622 . . . . 64.11 111.959 173.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 32.0 mmmt -73.24 -26.62 61.19 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.486 0.714 . . . . 71.13 110.814 -177.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.53 -9.4 58.54 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.063 0.945 . . . . 55.52 110.915 177.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.95 94.45 0.08 OUTLIER Glycine 0 C--N 1.357 1.738 0 N-CA-C 109.551 -1.42 . . . . 65.4 109.551 167.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.0 m -66.39 82.47 0.09 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.471 1.109 . . . . 71.24 111.507 -166.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -73.68 177.72 5.24 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.978 0.911 . . . . 72.12 110.033 176.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -63.58 99.34 0.21 Allowed 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 121.662 0.744 . . . . 64.15 109.531 175.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -76.99 111.04 12.13 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.212 -0.903 . . . . 75.31 109.974 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -71.13 95.34 1.23 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 121.596 0.712 . . . . 71.41 109.118 171.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -151.05 74.79 1.17 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.802 0.81 . . . . 72.02 109.095 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -100.22 -158.55 0.68 Allowed 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 114.942 -1.026 . . . . 73.22 109.835 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -66.8 117.28 8.7 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.551 0.74 . . . . 74.24 110.838 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 30.1 p80 . . . . . 0 CA--C 1.554 1.125 0 C-N-CA 123.326 0.651 . . . . 74.05 109.992 176.184 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 ttm . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 109.945 -0.391 . . . . 61.35 109.945 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -105.58 151.12 24.73 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.386 -0.598 . . . . 74.35 109.386 172.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.613 ' HG3' ' HB3' ' A' ' 77' ' ' LYS . 14.5 mp0 -124.03 149.38 46.14 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.921 0.889 . . . . 75.23 109.16 174.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.467 ' HB2' HG23 ' A' ' 71' ' ' ILE . 4.2 mm? -128.62 112.55 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.512 -0.921 . . . . 74.34 108.512 175.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.4 tt -97.89 122.06 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 108.632 -0.877 . . . . 64.31 108.632 174.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.465 ' HB3' HD22 ' A' ' 64' ' ' LEU . 6.1 mp -105.63 121.36 43.83 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.314 -0.995 . . . . 75.3 108.314 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.664 HG21 HD12 ' A' ' 18' ' ' ILE . 2.2 mp -98.78 138.41 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 108.859 -0.793 . . . . 73.44 108.859 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.517 ' HB2' HD13 ' A' ' 64' ' ' LEU . 3.9 t-20 -125.62 129.46 49.68 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 107.176 -1.416 . . . . 75.43 107.176 171.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -146.64 145.0 29.9 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 122.714 0.405 . . . . 74.52 111.045 -176.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -82.38 -27.12 32.3 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.198 0.999 . . . . 74.13 110.816 176.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -100.97 119.12 38.26 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.644 0.778 . . . . 74.15 110.974 -170.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -68.65 -33.66 74.38 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.908 0.883 . . . . 53.14 111.465 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -63.34 -35.71 81.27 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.569 0.748 . . . . 72.34 109.91 176.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 110' ' ' ASP . 45.2 tp -70.37 -41.33 73.25 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.527 -0.749 . . . . 62.4 110.236 177.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.528 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 61.0 mt -50.83 -44.91 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 124.007 0.817 . . . . 75.21 110.428 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -61.07 -48.02 83.67 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 124.242 0.964 . . . . 75.23 110.844 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.602 ' HE2' HD12 ' A' ' 114' ' ' LEU . 51.7 mtpt -62.52 -37.19 85.1 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.059 0.944 . . . . 75.42 111.717 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.664 HD12 HG21 ' A' ' 7' ' ' ILE . 95.1 mt -63.08 -48.51 87.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 123.809 0.844 . . . . 73.5 109.054 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 94.5 mttt -50.86 -43.28 59.31 Favored 'General case' 0 C--N 1.361 1.106 0 O-C-N 124.507 1.13 . . . . 72.23 110.736 178.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -71.77 -31.7 66.9 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.058 -0.974 . . . . 74.11 111.814 -177.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.518 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 24.8 mm-40 -66.09 -37.52 85.98 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.645 0.378 . . . . 75.02 110.243 172.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.626 HG22 HD22 ' A' ' 55' ' ' LEU . 20.9 t -70.93 -29.4 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.659 0.784 . . . . 73.43 110.201 178.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 18.2 mm-40 -67.05 -36.43 82.04 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.284 0.633 . . . . 75.24 109.994 173.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -65.58 -29.02 69.57 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.196 0.599 . . . . 74.2 110.409 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 51.2 mm-40 -94.08 -19.92 20.4 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.33 0.652 . . . . 75.52 111.31 -177.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.44 30.09 50.68 Favored Glycine 0 CA--C 1.532 1.144 0 N-CA-C 114.044 0.378 . . . . 71.24 114.044 178.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.407 ' OH ' ' HE2' ' A' ' 53' ' ' LYS . 2.2 m-30 -99.59 168.41 9.97 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.34 0.656 . . . . 72.45 109.888 178.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -83.5 114.67 21.65 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.255 0.622 . . . . 73.01 109.936 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.411 HG11 ' HG2' ' A' ' 19' ' ' LYS . 45.2 t -79.22 109.99 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 109.566 -0.531 . . . . 75.34 109.566 172.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -120.34 106.71 12.13 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 108.703 -0.851 . . . . 74.25 108.703 172.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -102.86 140.32 37.29 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.419 0.688 . . . . 75.21 109.403 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.553 HG13 ' HB3' ' A' ' 38' ' ' LEU . 75.8 t -134.6 122.39 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.352 1.061 . . . . 71.1 109.093 -173.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -121.77 9.71 10.15 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.08 0.952 . . . . 74.24 109.923 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -145.33 144.35 30.67 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.437 0.695 . . . . 73.14 110.387 -170.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.0 m -67.46 -30.19 69.84 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.093 0.957 . . . . 62.11 112.849 -174.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 28.8 t70 -78.27 -32.33 49.49 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.115 0.566 . . . . 73.23 110.458 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 32.6 mm-40 -66.79 -38.12 85.9 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 112.232 0.456 . . . . 74.41 112.232 -178.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.553 ' HB3' HG13 ' A' ' 32' ' ' VAL . 3.7 pp -65.47 -39.72 92.29 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 111.756 0.28 . . . . 74.12 111.756 -175.276 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 17.7 ptpt -70.24 -26.92 64.06 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 123.349 0.406 . . . . 75.4 110.045 -176.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.468 ' HD3' ' HA ' ' A' ' 37' ' ' GLU . 53.5 mtpt -70.81 -39.97 72.76 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.252 1.021 . . . . 74.41 110.897 173.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 6.2 mm-40 -68.0 -41.31 82.45 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.947 0.499 . . . . 75.31 110.707 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.7 mmt -58.82 -38.51 78.82 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 123.731 0.644 . . . . 73.42 110.75 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 98.6 mttt -60.58 -45.41 94.03 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 123.977 0.798 . . . . 74.14 110.267 177.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -69.31 -22.71 63.77 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.011 0.745 . . . . 71.54 113.011 -176.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.2 mt -70.21 -34.71 73.25 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 122.903 0.481 . . . . 74.23 111.299 175.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.67 -43.14 14.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.201 0.601 . . . . 52.43 110.695 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -59.35 -48.34 82.02 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.164 0.986 . . . . 75.25 110.379 176.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -108.22 99.98 9.34 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.98 0.912 . . . . 74.23 108.779 177.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -105.41 -31.27 9.1 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.619 0.768 . . . . 74.42 111.513 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -85.59 71.72 10.7 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.732 0.813 . . . . 63.04 111.487 -165.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -175.45 -178.02 1.08 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.743 1.217 . . . . 74.31 109.732 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.29 -175.32 0.34 Allowed 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.624 0.726 . . . . 73.11 111.778 175.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.457 ' H ' ' HD3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -93.37 154.2 18.1 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.561 -0.745 . . . . 70.11 111.649 -168.535 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.435 ' N ' HD13 ' A' ' 54' ' ' ILE . 3.7 mp -107.84 141.69 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 114.44 -1.255 . . . . 61.33 109.348 -168.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.626 HD22 HG22 ' A' ' 22' ' ' VAL . 6.5 tt -103.11 117.45 34.59 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.336 0.654 . . . . 64.44 109.311 177.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.1 mm -98.68 139.63 20.17 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 124.108 0.963 . . . . 75.25 109.319 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.1 mt -120.18 141.68 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 N-CA-C 107.48 -1.304 . . . . 74.32 107.48 168.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.7 t -156.89 137.96 13.59 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.666 0.786 . . . . 71.35 109.849 172.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -96.16 13.67 26.55 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.607 0.763 . . . . 61.0 112.33 -171.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.403 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 30.1 t70 -139.48 134.17 31.91 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.855 0.462 . . . . 73.21 110.188 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.684 ' HZ3' ' HB3' ' A' ' 89' ' ' GLU . 70.9 mttt -72.14 -26.75 62.23 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.197 0.999 . . . . 75.1 112.426 -172.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -76.7 -31.85 57.48 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 110.142 -0.318 . . . . 74.22 110.142 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' HG ' ' HB3' ' A' ' 60' ' ' ASP . 37.3 mt -68.24 -46.04 71.58 Favored 'General case' 0 C--N 1.356 0.869 0 N-CA-C 108.965 -0.754 . . . . 72.43 108.965 174.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 61' ' ' LYS . 91.9 mt -53.5 -52.36 59.84 Favored 'General case' 0 C--N 1.363 1.168 0 CA-C-N 114.562 -1.199 . . . . 74.22 110.062 174.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 14.6 tppt? -57.83 -48.62 79.22 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.351 1.06 . . . . 74.04 111.301 -174.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -55.22 -48.07 74.42 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 123.872 0.732 . . . . 73.53 110.811 177.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 78.9 mtm -63.84 -44.67 92.5 Favored 'General case' 0 CA--C 1.55 0.949 0 O-C-N 123.835 0.71 . . . . 74.04 111.731 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 83.6 mt -54.3 -39.92 67.44 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 124.371 1.068 . . . . 74.22 111.437 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 13.9 mm-40 -73.14 -42.94 62.3 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.862 0.726 . . . . 73.4 110.812 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 98.8 mt -64.22 -42.69 96.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.006 0.522 . . . . 65.02 111.662 -178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.467 HG23 ' HB2' ' A' ' 4' ' ' LEU . 49.5 mt -66.97 -32.62 58.83 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 124.194 0.998 . . . . 74.21 110.472 177.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.4 t -65.05 -42.99 93.77 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.98 0.912 . . . . 73.24 110.774 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -16.22 43.19 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.743 0.417 . . . . 73.21 111.435 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.5 mt -71.92 -27.24 62.68 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 109.482 -0.562 . . . . 75.0 109.482 168.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.68 12.42 55.71 Favored Glycine 0 C--N 1.346 1.107 0 CA-C-N 115.714 -0.676 . . . . 71.14 112.698 174.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -83.4 156.36 23.0 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 123.273 0.629 . . . . 73.13 109.698 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.613 ' HB3' ' HG3' ' A' ' 3' ' ' GLU . 7.4 ttpm? -83.48 118.33 23.68 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.656 -0.868 . . . . 73.54 108.656 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.5 t -92.62 137.78 21.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 115.405 -0.816 . . . . 71.15 110.745 -169.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -132.36 141.54 48.96 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 107.151 -1.426 . . . . 72.15 107.151 174.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.8 tp -131.22 142.08 50.12 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 107.861 -1.163 . . . . 75.41 107.861 174.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.6 tp -142.29 113.78 7.83 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 106.848 -1.538 . . . . 75.52 106.848 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.41 HD12 ' HD2' ' A' ' 93' ' ' PHE . 2.0 pt? -126.64 143.73 51.13 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.009 0.433 . . . . 75.33 111.183 -176.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.9 149.62 33.6 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.731 1.212 . . . . 70.45 108.388 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.436 ' HB2' HD23 ' A' ' 90' ' ' LEU . 8.5 t70 -163.96 170.81 16.15 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 107.405 -1.331 . . . . 72.42 107.405 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -76.93 -17.54 58.84 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.72 0.408 . . . . 73.3 110.618 174.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -113.6 123.98 51.25 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.303 0.641 . . . . 54.44 109.673 175.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.44 ' HA ' HD11 ' A' ' 90' ' ' LEU . 42.4 tt0 -79.2 -24.88 42.86 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.642 0.777 . . . . 74.35 111.772 -175.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.46 ' HA ' ' HG2' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -67.04 -39.63 87.0 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 118.115 0.416 . . . . 63.43 110.765 -179.027 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.684 ' HB3' ' HZ3' ' A' ' 61' ' ' LYS . 35.3 mm-40 -58.07 -33.7 69.34 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.801 0.84 . . . . 72.43 112.106 174.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.44 HD11 ' HA ' ' A' ' 87' ' ' GLU . 76.5 mt -81.83 -51.03 8.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.844 -1.071 . . . . 63.14 111.634 -175.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.46 ' HG2' ' HA ' ' A' ' 88' ' ' ASN . 13.0 pt-20 -65.89 -30.41 71.01 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.978 0.799 . . . . 74.1 111.172 -171.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.48 -38.89 65.24 Favored 'General case' 0 C--N 1.358 0.937 0 O-C-N 123.624 0.577 . . . . 74.13 110.999 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.519 ' O ' HG12 ' A' ' 97' ' ' ILE . 11.7 t80 -71.62 -48.5 47.58 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 108.877 -0.786 . . . . 71.54 108.877 175.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -54.79 -49.68 70.37 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.687 1.195 . . . . 72.22 112.145 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -25.99 68.26 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 123.758 0.661 . . . . 75.01 111.709 -175.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -72.4 -47.72 47.08 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.869 0.467 . . . . 74.23 110.002 172.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 93' ' ' PHE . 50.8 mm -65.04 -38.07 81.85 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 C-N-CA 123.972 0.909 . . . . 73.05 111.348 -173.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -30.52 65.99 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.657 0.383 . . . . 74.44 111.364 174.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.5 m -70.22 -25.26 63.31 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.54 0.336 . . . . 64.04 110.966 173.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -93.75 9.53 36.72 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.958 0.903 . . . . 73.42 112.035 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.35 23.01 66.4 Favored Glycine 0 C--N 1.352 1.428 0 N-CA-C 114.235 0.454 . . . . 61.2 114.235 170.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.427 ' HB2' HG22 ' A' ' 97' ' ' ILE . 64.7 m-85 -101.6 150.58 22.94 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.002 0.521 . . . . 70.23 109.75 174.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -77.54 121.64 24.16 Favored 'General case' 0 C--N 1.347 0.478 0 N-CA-C 108.142 -1.058 . . . . 74.2 108.142 169.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.0 138.88 43.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 123.342 0.657 . . . . 74.5 110.24 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -129.07 122.97 31.08 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.898 0.879 . . . . 73.32 109.122 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.96 126.78 51.34 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.084 0.953 . . . . 74.41 108.967 177.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.4 m -130.02 179.03 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 123.984 0.914 . . . . 75.1 108.604 172.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.5 m -137.22 -38.6 0.61 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.888 -0.782 . . . . 75.12 108.888 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' A' ' 111' ' ' GLU . 11.4 m-20 -72.3 137.19 46.53 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.532 -0.758 . . . . 74.51 109.74 176.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.527 ' HB3' HD11 ' A' ' 14' ' ' LEU . 6.4 m-20 -59.97 -36.63 77.55 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.496 1.119 . . . . 61.02 111.044 175.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.459 ' HG2' ' HB3' ' A' ' 109' ' ' ASP . 13.6 pt-20 -65.29 -45.02 86.09 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.852 0.861 . . . . 74.22 110.815 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -70.19 -23.91 63.04 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.666 0.386 . . . . 72.34 111.107 -178.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -68.18 -47.04 69.04 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.826 0.45 . . . . 72.51 110.523 173.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.602 HD12 ' HE2' ' A' ' 17' ' ' LYS . 83.2 mt -67.18 -29.96 69.78 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.35 0.66 . . . . 74.52 111.224 177.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -71.1 -38.21 72.36 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.237 1.015 . . . . 72.43 111.01 -176.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 20.5 mt -78.84 -22.62 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 C-N-CA 123.519 0.728 . . . . 74.23 111.504 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.457 ' O ' ' HG2' ' A' ' 121' ' ' MET . 88.3 t -50.62 -40.69 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 109.899 -0.408 . . . . 64.32 109.899 166.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -70.87 -42.49 69.98 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.224 0.609 . . . . 74.13 111.191 176.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -54.68 -40.92 69.59 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.0 0.92 . . . . 73.04 111.374 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -58.0 -45.42 86.88 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.058 0.543 . . . . 73.0 111.323 173.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.513 ' HE2' ' HG3' ' A' ' 25' ' ' GLN . 18.4 mmt -61.56 -21.68 64.51 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 112.974 0.731 . . . . 60.54 112.974 -172.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -95.77 -39.12 10.02 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.468 0.307 . . . . 73.14 110.984 171.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.469 ' HA ' ' HB3' ' A' ' 127' ' ' LEU . 23.7 ttmm -69.7 -26.19 64.24 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.599 0.76 . . . . 74.21 112.015 -174.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.06 -61.33 1.89 Allowed 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.316 -0.856 . . . . 71.43 110.733 -173.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.54 -69.27 1.39 Allowed Glycine 0 C--N 1.348 1.236 0 O-C-N 123.874 0.734 . . . . 63.43 112.442 -177.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.7 t -147.93 107.16 3.88 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.177 0.591 . . . . 63.45 109.907 -176.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.469 ' HB3' ' HA ' ' A' ' 123' ' ' LYS . 36.3 tp -155.91 103.0 2.21 Favored 'General case' 0 C--O 1.245 0.84 0 N-CA-C 107.032 -1.47 . . . . 74.34 107.032 172.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -73.38 89.63 1.63 Allowed 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.028 -0.73 . . . . 73.52 109.028 -177.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -56.54 105.66 0.22 Allowed 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.159 -0.928 . . . . 75.45 111.301 -172.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -73.91 -4.08 32.88 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.836 0.854 . . . . 75.24 111.23 176.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -60.41 98.93 0.07 Allowed 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 107.202 -1.407 . . . . 73.31 107.202 161.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -63.49 -23.38 67.37 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 113.903 1.075 . . . . 73.13 113.903 -163.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -85.83 -68.29 0.74 Allowed 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 109.284 -0.635 . . . . 71.52 109.284 177.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 . . . . . 0 C--O 1.249 1.039 0 N-CA-C 108.674 -0.861 . . . . 73.53 108.674 -177.907 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.9 ttp . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 121.178 0.513 . . . . 72.31 110.058 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.412 ' O ' ' HB3' ' A' ' 76' ' ' TYR . 21.0 pttm -150.45 139.11 20.68 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 107.313 -1.366 . . . . 74.32 107.313 172.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.584 ' HG2' ' HB3' ' A' ' 77' ' ' LYS . 22.5 mt-10 -71.01 154.66 41.62 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 118.796 0.725 . . . . 74.15 110.936 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.518 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.6 OUTLIER -136.46 110.82 8.47 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 108.452 -0.944 . . . . 73.41 108.452 -177.528 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.5 tt -104.43 135.99 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.457 0.703 . . . . 73.22 109.838 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mp -116.37 128.35 55.44 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.845 -1.169 . . . . 74.42 107.845 174.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 2.4 mp -105.51 142.88 17.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 108.006 -1.109 . . . . 74.32 108.006 175.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.594 ' HB2' HD11 ' A' ' 64' ' ' LEU . 4.7 t-20 -128.13 129.83 47.16 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 107.47 -1.307 . . . . 65.24 107.47 168.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.511 HG21 HG12 ' A' ' 15' ' ' ILE . 1.3 t -145.75 127.65 15.44 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.983 -0.747 . . . . 65.11 108.983 174.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -73.12 -28.52 62.31 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 114.893 -1.049 . . . . 74.05 109.696 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -75.95 111.02 10.89 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.76 1.224 . . . . 73.44 110.592 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.425 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 4.9 m-20 -59.7 -40.81 89.15 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 124.118 0.967 . . . . 74.23 111.509 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.82 -44.83 86.68 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 124.481 1.113 . . . . 74.35 110.206 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 110' ' ' ASP . 35.9 tp -64.92 -38.65 91.68 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.626 -0.702 . . . . 72.14 110.997 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.511 HG12 HG21 ' A' ' 9' ' ' THR . 50.6 mt -53.39 -51.45 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 109.626 -0.509 . . . . 75.12 109.626 176.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 13.9 mmmm -56.42 -46.88 80.01 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 124.274 0.983 . . . . 71.31 111.05 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -64.08 -46.77 82.81 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 114.793 -1.094 . . . . 74.04 111.388 -175.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 14' ' ' LEU . 64.9 mt -60.31 -49.05 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 124.074 0.859 . . . . 74.41 109.71 178.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 51.4 mtmt -54.22 -49.24 69.89 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 123.755 0.659 . . . . 74.24 111.343 -177.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -67.67 -35.17 78.36 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 123.563 0.54 . . . . 70.04 111.709 -177.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -58.59 -54.21 49.62 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-O 121.645 0.736 . . . . 62.02 110.369 173.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 18' ' ' ILE . 88.6 t -70.43 -30.28 42.26 Favored 'Isoleucine or valine' 0 C--O 1.247 0.966 0 CA-C-N 114.183 -1.372 . . . . 75.24 112.278 -169.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -57.68 -49.15 77.46 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.008 0.523 . . . . 74.03 109.671 170.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -69.58 -24.49 63.69 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.182 0.993 . . . . 73.31 111.535 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -76.5 -15.37 59.9 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.172 0.589 . . . . 71.43 111.565 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.51 17.87 47.61 Favored Glycine 0 C--N 1.344 0.974 0 O-C-N 123.238 0.336 . . . . 75.21 113.07 177.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.485 ' OH ' ' HA ' ' A' ' 121' ' ' MET . 1.8 m-85 -97.04 159.09 15.11 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.344 0.658 . . . . 73.22 109.673 177.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.415 ' HB2' HG21 ' A' ' 54' ' ' ILE . 22.8 mp0 -86.39 112.75 21.75 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 107.752 -1.203 . . . . 73.24 107.752 176.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.3 t -88.77 110.85 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 109.306 -0.627 . . . . 75.24 109.306 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -123.06 105.68 10.15 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.285 -1.006 . . . . 73.52 108.285 175.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -89.19 151.31 22.24 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.833 -0.803 . . . . 73.24 108.833 177.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.578 HG11 HD13 ' A' ' 63' ' ' LEU . 98.5 t -130.66 121.43 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.655 -0.868 . . . . 74.12 108.655 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -129.32 17.64 5.97 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.76 0.824 . . . . 71.51 110.16 177.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -161.96 151.33 16.0 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.984 0.913 . . . . 70.4 109.971 -175.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.4 m -67.16 -36.6 82.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.956 0.902 . . . . 72.32 112.077 -178.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.521 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 8.1 m-20 -77.54 -20.32 54.34 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 110.007 -0.368 . . . . 74.43 110.007 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 37.3 mm-40 -68.65 -45.73 71.03 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.816 0.446 . . . . 73.04 111.236 170.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.438 ' O ' ' HG2' ' A' ' 42' ' ' MET . 1.2 pp -63.12 -41.27 99.3 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 110.263 -0.273 . . . . 74.12 110.263 -175.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.521 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 17.7 ptpt -64.96 -27.34 68.77 Favored 'General case' 0 CA--C 1.554 1.131 0 O-C-N 123.016 0.197 . . . . 72.44 111.43 -176.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -70.16 -55.47 9.3 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.488 0.715 . . . . 72.31 110.392 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 16.7 mm-40 -64.17 -38.14 89.99 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.795 0.838 . . . . 72.13 111.402 -171.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.438 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 87.6 mmm -68.27 -32.39 72.52 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.473 0.709 . . . . 75.0 111.504 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 53.1 mtpt -67.78 -43.76 79.03 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 118.901 -0.571 . . . . 75.44 109.941 174.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -53.22 -33.84 54.58 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 123.6 0.76 . . . . 74.35 112.27 -177.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.0 mt -65.61 -38.11 88.51 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.208 1.003 . . . . 64.32 110.931 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.43 -32.82 20.67 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.476 1.11 . . . . 74.32 112.22 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 20.6 mm-40 -73.22 -55.12 6.87 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 108.734 -0.839 . . . . 75.2 108.734 -176.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -83.16 129.48 35.02 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 114.807 -1.088 . . . . 65.31 108.462 174.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -104.1 -56.77 2.14 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.753 0.821 . . . . 75.15 109.957 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -85.17 86.89 7.34 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.838 -0.619 . . . . 72.14 111.176 -174.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -167.5 154.67 8.53 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.324 1.45 . . . . 73.02 108.211 168.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.42 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 13.4 pt-20 -70.15 173.94 6.06 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.235 0.614 . . . . 64.1 111.983 -172.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.453 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -47.75 132.25 14.49 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.13 1.372 . . . . 75.35 112.804 174.324 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.415 HG21 ' HB2' ' A' ' 28' ' ' GLN . 4.0 mp -103.89 146.29 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.109 0.963 . . . . 72.42 109.376 -174.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.9 tt -107.09 112.09 24.85 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 123.339 0.656 . . . . 74.53 109.369 175.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.3 mm -96.97 138.73 21.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 N-CA-C 108.135 -1.061 . . . . 74.3 108.135 175.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.4 mt -116.81 152.72 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 107.206 -1.405 . . . . 70.42 107.206 169.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.1 t -146.51 149.49 33.72 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 124.004 0.922 . . . . 75.24 108.726 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -93.7 -6.42 46.29 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.116 0.966 . . . . 73.4 110.596 -178.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -141.79 150.93 42.34 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.427 0.691 . . . . 75.15 111.198 -172.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -85.85 -28.78 24.21 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.187 0.995 . . . . 75.34 112.467 -173.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -65.32 -36.09 82.98 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 109.477 -0.564 . . . . 75.12 109.477 176.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.578 HD13 HG11 ' A' ' 32' ' ' VAL . 75.0 mt -65.5 -45.88 81.86 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.428 0.691 . . . . 75.11 110.009 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.594 HD11 ' HB2' ' A' ' 8' ' ' ASN . 96.0 mt -50.72 -59.64 3.87 Favored 'General case' 0 C--N 1.37 1.458 0 O-C-N 124.315 1.009 . . . . 74.31 110.43 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.511 ' HA ' HD13 ' A' ' 68' ' ' LEU . 37.3 ttpt -59.92 -41.99 92.95 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 125.051 1.469 . . . . 73.44 110.988 -167.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -54.09 -54.17 43.18 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 124.295 0.997 . . . . 63.23 110.564 173.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.459 ' O ' HG13 ' A' ' 71' ' ' ILE . 78.9 mtm -63.26 -43.22 98.6 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.239 -0.891 . . . . 74.23 111.57 -176.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 65' ' ' LYS . 74.6 mt -54.85 -42.23 71.71 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.259 1.024 . . . . 73.15 111.026 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.562 ' HA ' ' HH ' ' A' ' 102' ' ' TYR . 45.9 mt-10 -66.87 -44.65 80.38 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.754 -1.112 . . . . 75.43 110.726 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.84 -45.06 90.94 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.694 0.797 . . . . 75.14 111.198 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.518 HD12 ' HB3' ' A' ' 4' ' ' LEU . 89.9 mt -59.6 -33.04 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 124.848 1.259 . . . . 71.23 111.79 -178.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.1 t -62.07 -47.07 86.31 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 115.501 -0.772 . . . . 64.24 111.136 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.92 -7.34 58.28 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 111.73 0.27 . . . . 74.24 111.73 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.2 mt -76.95 -31.03 56.3 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 109.888 -0.412 . . . . 74.03 109.888 168.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.99 50.89 2.01 Favored Glycine 0 C--N 1.347 1.171 0 CA-C-N 116.296 -0.411 . . . . 71.11 112.63 175.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.464 ' HB2' HG23 ' A' ' 71' ' ' ILE . 16.7 m-85 -128.38 144.36 51.12 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.846 0.859 . . . . 74.11 109.577 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.584 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . 49.9 tttm -71.63 117.04 12.71 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.053 -0.721 . . . . 75.52 109.053 174.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.43 129.8 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.652 0.781 . . . . 75.12 110.754 -168.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -123.33 149.31 45.03 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 107.872 -1.159 . . . . 73.2 107.872 172.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.419 HD11 HD12 ' A' ' 64' ' ' LEU . 56.1 tp -141.73 143.25 33.42 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 107.738 -1.208 . . . . 62.12 107.738 178.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.453 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 35.9 tp -144.2 128.65 17.97 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 105.918 -1.882 . . . . 74.11 105.918 178.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 106' ' ' LYS . 1.3 pp -145.73 149.0 33.6 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.256 0.55 . . . . 75.55 111.832 -174.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.429 ' HB3' HG21 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -150.7 155.76 39.96 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-N 114.291 -1.322 . . . . 74.53 108.988 175.392 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.471 ' HB2' HD23 ' A' ' 90' ' ' LEU . 6.0 t70 -157.74 173.08 17.37 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 107.893 -1.151 . . . . 72.25 107.893 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -60.28 -52.69 64.19 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 109.233 -0.654 . . . . 75.53 109.233 167.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -92.77 119.1 31.8 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.603 -0.726 . . . . 73.42 109.518 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.531 ' HA ' HD11 ' A' ' 90' ' ' LEU . 50.4 tt0 -75.02 -27.49 60.1 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.372 1.069 . . . . 74.15 111.647 -176.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.4 ' HA ' ' HG2' ' A' ' 91' ' ' GLU . 19.6 m120 -70.96 -34.28 71.29 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 116.491 -0.322 . . . . 73.34 111.109 -176.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -58.03 -35.47 71.33 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.172 0.589 . . . . 74.23 111.193 172.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.531 HD11 ' HA ' ' A' ' 87' ' ' GLU . 80.2 mt -72.31 -47.79 47.16 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.843 -1.072 . . . . 75.52 111.803 -177.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.514 ' HB3' ' HE2' ' A' ' 106' ' ' LYS . 8.4 pt-20 -81.54 -25.31 35.99 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 123.425 0.453 . . . . 74.21 112.134 -173.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -74.92 -30.41 61.25 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 117.883 0.31 . . . . 72.34 110.39 171.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -71.49 -39.77 70.65 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 122.376 0.27 . . . . 74.03 110.524 168.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.613 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 28.4 ttpp -65.73 -42.32 91.19 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.459 0.704 . . . . 75.25 111.862 -173.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -57.8 -27.19 62.9 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.033 0.533 . . . . 72.41 111.755 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.12 -34.94 59.48 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.411 1.084 . . . . 64.03 110.496 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.417 HG23 ' HB2' ' A' ' 102' ' ' TYR . 32.9 mm -78.1 -41.01 26.68 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 C-N-CA 124.531 1.132 . . . . 74.21 111.086 -177.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.44 -31.28 72.43 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.576 1.15 . . . . 74.31 111.505 173.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.3 t -63.34 -37.55 87.68 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 123.806 0.691 . . . . 75.0 110.723 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -80.19 -21.49 42.92 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.723 0.809 . . . . 75.01 110.898 175.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.34 33.8 7.87 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 116.385 -0.37 . . . . 75.35 113.485 172.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.562 ' HH ' ' HA ' ' A' ' 69' ' ' GLU . 20.7 m-85 -94.91 143.09 26.75 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.729 -0.471 . . . . 75.25 109.729 176.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -75.22 92.56 2.73 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.572 0.749 . . . . 74.52 110.02 -175.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 p -110.32 138.85 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.704 0.802 . . . . 73.31 111.369 -172.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -123.01 118.95 28.96 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.401 1.081 . . . . 65.11 108.948 177.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.613 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 1.3 tmmt? -103.3 124.23 48.26 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.186 0.994 . . . . 72.32 109.373 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.429 HG21 ' HB3' ' A' ' 83' ' ' GLN . 33.7 m -128.82 156.74 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 108.281 -1.007 . . . . 73.42 108.281 178.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.0 m -86.8 -62.67 1.45 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 109.117 -0.697 . . . . 73.21 109.117 176.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -95.39 169.22 10.21 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.051 1.13 . . . . 75.3 114.051 -167.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.535 ' HA ' HD23 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -59.23 -54.3 48.49 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 112.264 -2.244 . . . . 64.24 112.225 -175.445 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.38 -32.3 71.18 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.514 0.726 . . . . 74.23 111.957 -175.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.657 ' HA ' ' HE2' ' A' ' 115' ' ' LYS . 44.6 mt-10 -70.66 -33.44 70.96 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 123.569 0.748 . . . . 73.02 111.238 -176.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -69.07 -40.0 78.74 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.805 -0.634 . . . . 75.12 110.183 174.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.32 -33.58 76.16 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.277 0.631 . . . . 71.31 110.93 -178.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.657 ' HE2' ' HA ' ' A' ' 112' ' ' GLU . 51.3 mtmt -57.96 -59.0 5.93 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 123.906 0.754 . . . . 75.04 110.093 175.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 44.8 mt -70.76 -25.63 26.65 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 123.845 0.858 . . . . 71.02 111.769 -170.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 43.8 t -59.36 -51.78 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.207 0.603 . . . . 75.43 109.518 169.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -70.0 -38.66 76.05 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.738 -0.664 . . . . 74.32 111.3 -178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.48 -33.37 75.73 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.262 0.625 . . . . 71.51 111.708 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.468 ' HA ' ' HB2' ' A' ' 123' ' ' LYS . 91.0 t80 -64.47 -30.36 71.39 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.563 0.345 . . . . 75.54 110.557 176.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.485 ' HA ' ' OH ' ' A' ' 27' ' ' TYR . 21.9 mmt -58.44 -31.25 67.58 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 123.563 0.539 . . . . 75.31 111.624 -178.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -100.11 -21.23 15.65 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 123.253 0.621 . . . . 74.23 112.035 175.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.468 ' HB2' ' HA ' ' A' ' 120' ' ' PHE . 71.0 mmtt -63.47 -54.86 29.82 Favored 'General case' 0 N--CA 1.501 2.099 0 CA-C-N 118.323 0.51 . . . . 74.45 110.578 175.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 120' ' ' PHE . . . -68.37 -37.54 80.54 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.093 -0.958 . . . . 74.21 111.507 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.25 -21.98 68.76 Favored Glycine 0 C--N 1.35 1.326 0 CA-C-N 114.788 -1.096 . . . . 72.53 113.0 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.3 t -95.33 -40.74 9.37 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.615 0.766 . . . . 74.33 110.587 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 28.9 tp 57.72 46.59 17.02 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-O 122.775 1.274 . . . . 75.33 108.86 -167.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.47 13.06 1.04 Allowed 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 115.306 1.595 . . . . 72.13 115.306 -164.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -64.31 -46.16 84.79 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 107.622 -1.251 . . . . 74.11 107.622 165.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -168.24 118.07 0.77 Allowed 'General case' 0 C--O 1.24 0.59 0 C-N-CA 125.756 1.622 . . . . 65.24 106.677 161.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -60.69 -36.78 79.62 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 124.053 0.845 . . . . 70.35 110.026 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -72.59 76.78 1.08 Allowed 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 107.989 -1.115 . . . . 64.15 107.989 166.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -90.77 85.24 5.98 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 114.816 -1.084 . . . . 74.23 108.994 -175.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 12.5 p80 . . . . . 0 CA--C 1.561 1.368 0 CA-C-N 114.48 -1.236 . . . . 73.5 110.179 -176.413 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.404 ' HG3' ' H ' ' A' ' 2' ' ' LYS . 8.1 ptm . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 119.138 -0.458 . . . . 74.52 110.979 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.404 ' H ' ' HG3' ' A' ' 1' ' ' MET . 1.3 tppp? -179.19 106.66 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 108.944 -0.761 . . . . 73.33 108.944 -172.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.445 ' HG3' ' HB3' ' A' ' 77' ' ' LYS . 3.2 mp0 -110.98 124.93 53.11 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 108.287 -1.005 . . . . 75.02 108.287 172.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.434 HD11 HD21 ' A' ' 45' ' ' LEU . 3.8 mm? -105.66 130.45 53.68 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 109.816 -0.439 . . . . 64.45 109.816 -174.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.0 tt -117.34 115.32 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.571 -0.899 . . . . 73.51 108.571 178.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 mp -104.91 121.11 43.02 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.467 -0.938 . . . . 72.04 108.467 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.554 HG23 HD12 ' A' ' 18' ' ' ILE . 2.1 mp -99.72 129.74 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 108.735 -0.839 . . . . 73.41 108.735 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.533 ' HB2' HD12 ' A' ' 64' ' ' LEU . 4.4 t-20 -110.7 114.23 27.45 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 108.406 -0.961 . . . . 75.33 108.406 173.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.463 HG21 HG22 ' A' ' 7' ' ' ILE . 1.5 t -145.89 132.1 19.46 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.688 0.795 . . . . 73.5 109.937 -178.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -102.5 15.31 29.6 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.337 0.655 . . . . 75.24 111.55 175.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.449 ' O ' HG13 ' A' ' 15' ' ' ILE . 39.2 t30 -113.9 109.32 18.32 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 109.115 -0.698 . . . . 75.33 109.115 174.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -52.21 -42.52 63.6 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.891 1.276 . . . . 71.13 111.54 177.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -63.36 -39.56 94.88 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 115.128 -0.942 . . . . 75.31 111.361 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.3 tp -69.13 -37.75 78.49 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 119.057 -0.497 . . . . 73.35 110.417 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.475 HG22 ' HE3' ' A' ' 19' ' ' LYS . 24.9 mt -57.42 -40.0 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 123.623 0.577 . . . . 73.03 109.909 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -62.3 -47.05 86.02 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 115.415 -0.811 . . . . 74.24 111.105 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -66.36 -36.47 82.97 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.646 0.778 . . . . 64.53 111.354 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.554 HD12 HG23 ' A' ' 7' ' ' ILE . 87.6 mt -62.76 -51.02 77.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 CA-C-N 115.052 -0.977 . . . . 74.33 108.964 175.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.593 ' HE2' HG11 ' A' ' 29' ' ' VAL . 91.0 mttt -58.21 -33.3 69.15 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.365 0.666 . . . . 71.1 111.984 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 10.3 mmpt? -62.12 -48.01 82.04 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.573 0.545 . . . . 74.52 109.998 174.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.561 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 50.8 mm-40 -60.36 -47.06 87.69 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.961 0.788 . . . . 75.43 111.973 175.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 18' ' ' ILE . 44.8 t -58.91 -36.53 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 123.681 0.792 . . . . 70.01 110.676 -176.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.94 -44.81 79.65 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.256 -0.883 . . . . 72.35 111.134 174.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -61.55 -30.77 70.86 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 123.757 0.823 . . . . 73.4 110.966 177.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 73.7 mm-40 -84.34 -25.42 29.22 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.902 0.881 . . . . 73.15 110.414 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.15 26.34 19.07 Favored Glycine 0 C--N 1.354 1.54 0 C-N-CA 123.106 0.384 . . . . 55.34 113.662 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -106.24 159.1 16.37 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.98 0.912 . . . . 73.35 110.047 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -95.04 128.72 42.08 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.71 0.804 . . . . 61.33 109.58 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.593 HG11 ' HE2' ' A' ' 19' ' ' LYS . 25.5 t -86.91 124.51 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.195 0.598 . . . . 75.22 109.602 175.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -124.26 111.55 15.97 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 108.35 -0.981 . . . . 72.41 108.35 170.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -86.4 147.05 26.19 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.32 1.048 . . . . 73.4 111.351 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.438 HG13 HD13 ' A' ' 63' ' ' LEU . 94.1 t -132.79 121.4 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.339 1.056 . . . . 75.02 108.819 177.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -132.52 7.73 4.18 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.48 0.712 . . . . 73.05 110.352 173.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.468 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 10.4 t70 -144.95 148.56 33.95 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.962 0.505 . . . . 51.41 109.842 -177.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.453 ' HA ' HD22 ' A' ' 38' ' ' LEU . 19.6 p -73.9 -17.37 61.04 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.742 0.817 . . . . 75.54 112.868 -175.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.452 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 13.7 t70 -77.49 -41.8 38.06 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.351 0.66 . . . . 64.11 109.731 173.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 14.1 mm-40 -59.23 -43.47 92.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.684 0.793 . . . . 72.33 112.236 -175.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 35' ' ' SER . 3.2 pp -61.61 -41.98 98.23 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 123.938 0.774 . . . . 75.31 112.12 -168.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 18.9 ptpt -65.37 -35.52 81.22 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.406 0.441 . . . . 75.51 110.555 -176.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 44.5 mtpt -70.91 -36.55 72.74 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.585 1.154 . . . . 74.23 110.79 -178.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -68.66 -41.0 79.94 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.659 0.6 . . . . 73.13 109.81 176.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.507 ' SD ' HG13 ' A' ' 71' ' ' ILE . 31.6 mmt -62.76 -38.7 91.61 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.339 0.656 . . . . 62.44 110.896 177.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.507 ' HZ3' ' HB3' ' A' ' 43' ' ' LYS . 9.0 mtpm? -65.94 -38.2 88.01 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.352 -0.386 . . . . 72.23 110.839 178.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 46.6 mmtm -60.25 -32.85 71.54 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 123.268 0.627 . . . . 71.12 112.326 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.434 HD21 HD11 ' A' ' 4' ' ' LEU . 23.2 mt -62.34 -33.47 74.76 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.986 0.804 . . . . 73.55 110.285 175.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.495 ' HB1' HD23 ' A' ' 74' ' ' LEU . . . -93.17 -23.39 18.59 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.911 1.284 . . . . 64.04 112.737 -177.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -63.58 -55.69 21.78 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 118.059 0.391 . . . . 60.41 111.125 -173.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.18 156.73 21.93 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 122.889 0.475 . . . . 72.13 110.635 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -103.24 -41.36 6.08 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.703 0.801 . . . . 63.53 112.544 -175.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -126.21 86.55 2.54 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.976 0.51 . . . . 75.31 110.584 -169.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -162.36 163.26 27.96 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-N 115.205 -0.907 . . . . 70.24 109.239 -178.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.22 178.73 5.56 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.665 0.745 . . . . 63.2 111.474 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.424 ' HD2' ' HB2' ' A' ' 3' ' ' GLU . 17.3 pttt -89.37 150.54 22.5 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 114.854 -1.066 . . . . 75.21 111.919 -176.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.8 mp -105.31 138.26 31.1 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-N 114.668 -1.151 . . . . 73.03 109.398 -173.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.464 HD12 HG21 ' A' ' 22' ' ' VAL . 6.5 tt -90.8 121.22 32.48 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.983 -0.747 . . . . 72.34 108.983 172.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.2 mm -98.63 137.82 25.01 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 123.802 0.841 . . . . 73.44 108.762 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.1 mt -119.53 134.01 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 N-CA-C 107.271 -1.381 . . . . 74.04 107.271 166.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.9 t -133.07 143.97 49.69 Favored 'General case' 0 C--O 1.243 0.735 0 C-N-CA 123.271 0.629 . . . . 71.34 110.018 177.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -77.77 -33.29 52.78 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.061 0.944 . . . . 74.1 111.238 -177.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -121.16 151.61 39.72 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.518 0.727 . . . . 63.25 111.743 -168.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -80.03 -34.12 38.6 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.451 1.101 . . . . 73.41 112.89 -174.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 49.8 mt-30 -64.77 -33.08 75.12 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 110.023 -0.362 . . . . 73.34 110.023 178.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.438 HD13 HG13 ' A' ' 32' ' ' VAL . 68.6 mt -68.15 -38.97 82.72 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 123.983 0.802 . . . . 74.52 110.721 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.589 HD13 HD13 ' A' ' 80' ' ' LEU . 89.1 mt -55.32 -56.35 21.12 Favored 'General case' 0 C--N 1.36 1.047 0 O-C-N 124.313 1.008 . . . . 71.53 110.539 178.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -58.97 -39.49 81.89 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 124.48 1.113 . . . . 74.45 111.71 -172.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 16.1 mm-40 -56.54 -49.92 73.4 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 124.228 0.955 . . . . 74.31 110.901 173.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 74.7 mtm -63.42 -40.43 97.15 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.762 -0.653 . . . . 73.11 111.677 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.506 HD12 HD23 ' A' ' 80' ' ' LEU . 60.7 mt -57.47 -45.22 85.04 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.353 0.661 . . . . 74.42 111.707 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -76.55 -29.52 56.73 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.629 -0.714 . . . . 75.4 111.127 -177.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.563 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 81.0 mt -70.31 -42.98 71.27 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 123.099 0.249 . . . . 75.52 111.016 174.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.507 HG13 ' SD ' ' A' ' 42' ' ' MET . 71.4 mt -64.57 -33.11 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 C-N-CA 123.674 0.79 . . . . 75.2 110.155 176.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.1 t -67.76 -41.2 83.68 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.058 -0.974 . . . . 73.14 111.018 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -77.43 -24.65 50.35 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 116.857 -0.156 . . . . 70.22 110.914 177.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 98.2 mt -66.93 -28.42 68.28 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 122.808 0.443 . . . . 74.22 109.872 170.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.78 23.28 21.27 Favored Glycine 0 C--N 1.348 1.205 0 CA-C-N 115.512 -0.767 . . . . 72.43 113.212 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -100.46 170.51 8.35 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.672 0.789 . . . . 72.12 111.068 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.532 ' HE3' HD13 ' A' ' 127' ' ' LEU . 11.6 ttmm -69.25 128.45 36.64 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 109.577 -0.527 . . . . 71.02 109.577 170.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.3 t -100.4 108.36 22.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.658 0 CA-C-N 115.061 -0.972 . . . . 74.44 109.101 174.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -115.12 137.09 52.41 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.01 -1.107 . . . . 55.34 108.01 172.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.589 HD13 HD13 ' A' ' 64' ' ' LEU . 57.3 tp -131.03 149.27 52.69 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.424 1.09 . . . . 73.43 108.769 -178.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.526 HD23 HG13 ' A' ' 7' ' ' ILE . 41.0 tp -138.6 135.24 34.74 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.461 -1.681 . . . . 75.35 106.461 176.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.565 HD11 ' HB3' ' A' ' 90' ' ' LEU . 0.6 OUTLIER -136.55 142.23 43.4 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 122.79 0.436 . . . . 74.3 110.778 175.281 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.78 146.6 34.41 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 124.353 1.061 . . . . 75.44 109.069 178.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -157.51 165.54 35.35 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 125.239 1.416 . . . . 75.44 107.677 167.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -75.45 -17.07 60.25 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.877 -0.601 . . . . 74.11 109.725 168.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -104.02 109.09 20.73 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.269 1.028 . . . . 74.2 108.499 171.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -75.01 -21.66 58.97 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.796 0.838 . . . . 74.41 111.958 -175.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -75.46 -28.08 59.15 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.633 0.373 . . . . 74.51 111.418 -176.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -59.06 -36.04 74.37 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.565 0.697 . . . . 63.55 111.019 170.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.565 ' HB3' HD11 ' A' ' 82' ' ' LEU . 79.2 mt -75.32 -50.22 16.68 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 114.328 -1.306 . . . . 62.14 111.594 -172.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -73.49 -27.67 61.51 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.315 0.858 . . . . 74.21 113.315 -170.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.68 -39.62 73.4 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 118.024 0.374 . . . . 71.0 110.783 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.474 ' O ' HG12 ' A' ' 97' ' ' ILE . 57.1 t80 -73.79 -42.18 61.35 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.698 0.399 . . . . 72.22 110.167 174.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.428 ' HD2' ' HB2' ' A' ' 106' ' ' LYS . 62.3 tttp -60.3 -44.8 95.1 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.695 0.798 . . . . 71.32 111.578 -175.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -62.09 -27.96 69.28 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 123.643 0.589 . . . . 74.55 111.795 -178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -71.75 -42.53 67.1 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.216 0.606 . . . . 72.43 109.963 174.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 93' ' ' PHE . 30.6 mm -69.6 -30.35 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 C-N-CA 123.76 0.824 . . . . 70.42 110.834 -178.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 56.2 mm-40 -57.87 -47.43 82.77 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.354 0.662 . . . . 72.3 110.372 168.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.9 m -69.36 -31.09 69.29 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.971 0.908 . . . . 70.21 111.715 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -73.73 -23.54 59.78 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.421 0.688 . . . . 55.34 110.007 173.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.27 44.74 6.12 Favored Glycine 0 C--N 1.349 1.253 0 CA-C-N 115.826 -0.625 . . . . 74.14 112.859 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -117.75 142.61 47.07 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.583 0.753 . . . . 63.21 109.82 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -78.91 88.53 4.71 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.087 0.955 . . . . 63.24 110.894 -174.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 p -105.73 140.19 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.628 0.771 . . . . 64.34 111.129 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -111.6 136.4 50.85 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.658 0.783 . . . . 75.21 109.48 175.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.496 ' HA ' HD12 ' A' ' 82' ' ' LEU . 29.9 ttmt -102.17 128.95 48.45 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.261 0.625 . . . . 75.4 109.366 175.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.423 ' HB ' ' HB2' ' A' ' 112' ' ' GLU . 34.3 m -136.02 144.57 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 109.316 -0.624 . . . . 64.43 109.316 175.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.0 m -102.3 -37.62 7.99 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.738 0.815 . . . . 75.31 110.086 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -100.17 155.68 17.62 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.047 -0.978 . . . . 72.42 111.406 -171.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -48.59 -54.33 14.97 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.847 1.659 . . . . 75.54 111.762 170.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 11.2 pt-20 -56.93 -42.61 80.31 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 124.324 1.015 . . . . 74.14 111.464 -174.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.469 ' O ' HG12 ' A' ' 116' ' ' ILE . 45.5 mt-10 -66.33 -39.09 89.01 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 123.985 0.803 . . . . 73.14 110.69 -175.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.19 -42.29 96.73 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.755 0.659 . . . . 73.53 111.104 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.45 -36.03 82.85 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.782 0.833 . . . . 75.34 110.557 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 98.0 mttt -65.84 -45.8 80.88 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 115.205 -0.907 . . . . 74.44 110.615 177.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 112' ' ' GLU . 50.6 mm -65.66 -32.92 60.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 C-N-CA 122.899 0.48 . . . . 71.3 111.74 -175.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.503 ' O ' ' HG2' ' A' ' 121' ' ' MET . 85.3 t -53.44 -51.49 41.09 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 O-C-N 123.621 0.575 . . . . 73.52 109.474 170.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -69.72 -40.64 76.11 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.105 0.962 . . . . 74.44 111.555 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 47.8 mm-40 -56.72 -42.03 78.46 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.313 1.045 . . . . 75.12 111.239 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -63.04 -41.73 99.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.507 0.723 . . . . 74.52 111.156 176.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 14.8 mmt -64.55 -24.26 67.54 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 112.37 0.507 . . . . 74.33 112.37 -171.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -91.25 -54.48 3.91 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 109.577 -0.527 . . . . 74.13 109.577 168.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -60.02 -29.8 68.74 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 123.878 0.871 . . . . 74.23 112.927 -166.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.03 -40.9 97.33 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.707 0.803 . . . . 65.4 111.246 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -101.11 -6.95 50.93 Favored Glycine 0 C--N 1.348 1.237 0 CA-C-N 115.653 -0.703 . . . . 71.14 113.097 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 49.9 m -103.44 16.71 25.8 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.874 0.87 . . . . 74.02 111.565 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.532 HD13 ' HE3' ' A' ' 77' ' ' LYS . 84.1 mt -67.19 123.56 20.63 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.16 -1.052 . . . . 72.14 108.16 166.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -54.5 141.42 31.15 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.837 0.855 . . . . 75.34 111.291 -177.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -65.65 82.89 0.06 Allowed 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 108.268 -1.012 . . . . 75.0 108.268 173.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -176.13 -28.88 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 114.482 -1.236 . . . . 70.54 109.649 -160.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -62.94 141.11 58.85 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.086 0.554 . . . . 64.41 110.41 172.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -81.18 142.01 33.64 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.405 0.682 . . . . 73.04 112.193 -173.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -138.61 3.63 2.31 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.973 0.909 . . . . 72.21 109.881 165.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 . . . . . 0 C--O 1.25 1.129 0 N-CA-C 109.13 -0.693 . . . . 75.13 109.13 177.277 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.414 ' HE2' ' HA ' ' A' ' 1' ' ' MET . 6.4 mmt . . . . . 0 N--CA 1.473 0.683 0 N-CA-C 109.121 -0.696 . . . . 71.34 109.121 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -130.11 102.53 6.29 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 106.171 -1.789 . . . . 75.13 106.171 173.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 2.2 mp0 -89.04 136.97 32.73 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.429 -0.805 . . . . 74.41 110.472 -172.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.481 ' HB2' HG21 ' A' ' 71' ' ' ILE . 4.5 mm? -118.84 111.37 18.34 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 106.548 -1.649 . . . . 75.23 106.548 174.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.409 HG13 ' HD1' ' A' ' 79' ' ' PHE . 3.2 tt -105.5 120.13 55.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.865 0.866 . . . . 74.4 108.759 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mp -101.63 123.6 45.89 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.408 -0.96 . . . . 75.34 108.408 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.3 mp -100.8 119.15 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 108.577 -0.898 . . . . 62.04 108.577 177.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.422 ' HB2' HD12 ' A' ' 64' ' ' LEU . 4.8 t-20 -96.21 118.61 33.13 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 107.2 -1.407 . . . . 71.41 107.2 169.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.43 HG21 HG12 ' A' ' 15' ' ' ILE . 1.8 t -144.44 136.65 26.33 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.279 0.632 . . . . 64.12 109.575 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -96.54 -11.3 25.63 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 114.962 -1.017 . . . . 75.24 110.839 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -97.96 114.68 26.87 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.052 0.941 . . . . 70.33 109.847 -172.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.79 -43.79 92.07 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.641 1.176 . . . . 75.31 112.431 -170.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 9.0 pt-20 -63.37 -37.86 88.92 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.886 -0.597 . . . . 73.14 110.519 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.453 ' O ' HG13 ' A' ' 18' ' ' ILE . 47.4 tp -63.34 -42.47 98.95 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 123.82 0.7 . . . . 75.13 110.352 178.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.596 HG22 HG23 ' A' ' 57' ' ' ILE . 50.1 mt -53.23 -49.95 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 123.307 0.643 . . . . 74.32 110.222 177.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -59.68 -46.6 88.57 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.856 -1.065 . . . . 75.3 111.468 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 60.3 mtpt -63.43 -40.9 98.42 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.008 -0.996 . . . . 72.23 111.176 -176.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 22' ' ' VAL . 80.9 mt -61.33 -49.09 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 123.865 0.728 . . . . 64.12 109.141 176.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.51 ' HE3' HG23 ' A' ' 15' ' ' ILE . 98.8 mttt -50.61 -46.91 58.3 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 123.915 0.759 . . . . 73.1 111.109 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -62.06 -46.37 89.44 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.541 0.736 . . . . 73.44 111.275 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 13.1 mm-40 -61.37 -44.18 97.61 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.391 0.676 . . . . 70.15 111.542 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 18' ' ' ILE . 78.9 t -68.26 -33.65 61.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 C-N-CA 124.291 1.036 . . . . 64.21 111.15 -177.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -68.97 -37.09 78.59 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.391 0.676 . . . . 74.13 110.558 174.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -63.32 -38.03 89.59 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.312 0.645 . . . . 72.5 110.338 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 13.9 mm-40 -80.79 -14.3 58.2 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 115.18 -0.918 . . . . 74.51 111.474 -179.05 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.17 28.7 33.03 Favored Glycine 0 C--N 1.353 1.475 0 N-CA-C 114.199 0.44 . . . . 73.33 114.199 172.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -96.26 159.75 14.79 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.163 0.585 . . . . 74.41 109.457 175.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.441 HE21 HG13 ' A' ' 54' ' ' ILE . 1.1 mp0 -79.82 114.1 18.48 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.377 -0.972 . . . . 72.52 108.377 177.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.77 104.78 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 109.438 -0.579 . . . . 72.2 109.438 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -100.89 129.71 46.79 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 107.51 -1.293 . . . . 74.51 107.51 169.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -122.56 115.89 22.93 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.638 0.732 . . . . 62.01 109.745 176.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.522 HG11 ' HB3' ' A' ' 38' ' ' LEU . 87.5 t -109.51 120.83 61.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 125.133 1.373 . . . . 72.4 108.304 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -103.12 -19.64 14.46 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.094 0.557 . . . . 74.35 109.814 176.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -150.57 154.46 37.6 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.238 1.015 . . . . 71.54 110.068 -175.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.8 p -65.62 -17.48 64.62 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 113.757 1.021 . . . . 70.33 113.757 -173.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.447 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 26.7 t70 -69.76 -22.72 63.33 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.995 0.518 . . . . 71.4 110.614 177.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.409 ' HB2' HG12 ' A' ' 32' ' ' VAL . 40.4 mt-10 -83.45 -46.42 12.52 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 124.183 0.993 . . . . 72.23 111.608 177.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.522 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.8 pp -65.59 -34.75 78.96 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 123.062 0.226 . . . . 71.21 111.495 -172.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 18.7 ptpt -60.6 -27.92 68.1 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.656 0.382 . . . . 73.12 111.667 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -83.07 -48.57 10.45 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.172 0.989 . . . . 71.04 111.248 -177.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.59 -24.71 38.96 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.92 -0.582 . . . . 74.53 111.573 -173.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.428 ' HE2' HD12 ' A' ' 71' ' ' ILE . 8.7 mmt -63.08 -33.91 76.47 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.397 0.679 . . . . 74.41 111.606 171.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 66.2 mttm -58.19 -50.45 73.49 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.748 -0.834 . . . . 63.43 108.748 171.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -63.66 -34.18 77.28 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 115.018 -0.992 . . . . 74.42 112.268 -177.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.0 mt -65.14 -36.71 85.1 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.061 0.544 . . . . 71.4 111.08 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.78 -39.89 26.03 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.598 0.759 . . . . 71.1 111.319 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 30.3 mm-40 -66.31 -55.64 15.03 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.766 0.826 . . . . 75.3 110.147 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -73.61 86.61 1.62 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 107.502 -1.296 . . . . 74.14 107.502 174.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -82.74 -62.04 1.71 Allowed 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.28 -0.873 . . . . 71.43 108.879 -174.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -86.37 94.83 9.47 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.826 -1.079 . . . . 73.41 110.222 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.459 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -172.46 -179.52 2.24 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.925 1.29 . . . . 72.44 108.736 165.815 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.27 164.97 12.38 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.461 0.648 . . . . 72.23 111.894 179.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 32.0 pttt -81.92 159.85 23.54 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.007 -0.997 . . . . 71.21 112.165 -172.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.459 HD11 ' CZ ' ' A' ' 51' ' ' PHE . 4.1 mp -120.31 149.0 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 114.527 -1.215 . . . . 73.04 109.257 -166.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 HD22 HG22 ' A' ' 22' ' ' VAL . 5.8 tt -112.92 122.9 49.02 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.972 0.909 . . . . 74.15 108.953 174.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.2 mm -99.03 136.8 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 N-CA-C 108.121 -1.066 . . . . 72.32 108.121 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.596 HG23 HG22 ' A' ' 15' ' ' ILE . 67.1 mt -116.47 122.45 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 106.175 -1.787 . . . . 74.12 106.175 166.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 27.7 t -128.2 116.63 20.19 Favored 'General case' 0 C--O 1.242 0.671 0 N-CA-C 108.957 -0.757 . . . . 74.13 108.957 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -65.74 -55.93 14.7 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.82 -1.082 . . . . 74.41 110.532 -178.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 10.5 t70 -83.5 145.29 29.0 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 115.903 -0.59 . . . . 64.24 109.766 -174.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -88.37 -22.65 23.69 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.654 0.983 . . . . 75.24 113.654 -167.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -68.36 -27.67 66.45 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 109.373 -0.603 . . . . 74.1 109.373 175.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.495 ' HG ' ' HB3' ' A' ' 60' ' ' ASP . 21.7 mt -68.61 -44.16 74.87 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 114.834 -1.076 . . . . 75.43 109.59 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.451 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 68.1 mt -53.31 -59.79 4.12 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.874 1.358 . . . . 65.44 110.221 177.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -49.25 -46.98 46.83 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 124.511 1.132 . . . . 72.24 111.935 -175.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -63.0 -54.03 44.74 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.597 -0.729 . . . . 74.42 112.107 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 77.1 mtm -65.88 -40.72 91.87 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.202 0.601 . . . . 73.45 112.516 -172.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 63.9 mt -49.37 -43.56 44.12 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.262 1.025 . . . . 74.22 111.21 175.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.52 ' HA ' ' HH ' ' A' ' 102' ' ' TYR . 49.0 mt-10 -83.3 -27.22 29.96 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 115.237 -0.892 . . . . 54.0 112.131 -176.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.412 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 94.8 mt -63.79 -51.32 65.33 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.178 0.591 . . . . 72.53 110.277 172.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.481 HG21 ' HB2' ' A' ' 4' ' ' LEU . 75.4 mt -60.86 -36.27 70.47 Favored 'Isoleucine or valine' 0 C--O 1.247 0.969 0 C-N-CA 124.953 1.301 . . . . 73.13 111.189 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -62.79 -45.62 91.81 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 115.478 -0.783 . . . . 72.53 110.747 177.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -12.64 57.52 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.807 0.443 . . . . 63.42 111.881 -179.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 93.0 mt -71.05 -32.41 69.1 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 108.632 -0.877 . . . . 75.44 108.632 165.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.6 9.99 34.22 Favored Glycine 0 C--N 1.341 0.842 0 CA-C-N 115.006 -0.997 . . . . 75.04 112.218 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.449 ' HB2' HG22 ' A' ' 71' ' ' ILE . 16.4 m-85 -88.38 152.0 22.21 Favored 'General case' 0 C--O 1.245 0.825 0 C-N-CA 123.619 0.768 . . . . 72.12 109.536 176.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -73.18 137.42 45.06 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.294 -0.632 . . . . 74.24 109.294 175.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.1 t -107.42 134.78 48.15 Favored 'Isoleucine or valine' 0 C--O 1.244 0.799 0 C-N-CA 124.122 0.969 . . . . 75.11 109.933 -178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.409 ' HD1' HG13 ' A' ' 5' ' ' ILE . 56.1 t80 -134.09 146.69 50.52 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 107.432 -1.322 . . . . 73.22 107.432 170.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.437 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 55.6 tp -129.79 140.76 50.98 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 108.481 -0.933 . . . . 65.23 108.481 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.3 tp -136.79 112.88 9.73 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 106.429 -1.693 . . . . 74.55 106.429 174.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.447 HD11 ' HA ' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -119.72 151.03 39.41 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.212 0.605 . . . . 72.21 111.349 -172.67 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.51 ' HA ' HD21 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -145.89 109.53 4.78 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 107.808 -1.182 . . . . 72.13 107.808 172.607 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -104.08 154.35 19.82 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 108.228 -1.027 . . . . 72.42 108.228 169.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -70.56 -30.47 67.19 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.909 -0.587 . . . . 74.35 109.489 169.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -89.39 105.3 17.7 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.652 0.781 . . . . 72.35 109.236 173.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.466 ' HA ' HD13 ' A' ' 90' ' ' LEU . 10.5 tp10 -62.59 -29.89 70.93 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.458 0.703 . . . . 72.12 112.019 -178.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -60.37 -23.62 64.45 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.934 -1.03 . . . . 74.24 112.549 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -79.14 -38.97 34.76 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 112.522 0.564 . . . . 74.44 112.522 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.51 HD21 ' HA ' ' A' ' 83' ' ' GLN . 5.6 mp -62.9 -46.54 87.36 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 123.195 0.309 . . . . 74.45 111.174 -173.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.2 -41.86 97.58 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.766 0.826 . . . . 74.41 112.149 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -77.55 -36.52 52.18 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.006 0.522 . . . . 75.55 111.446 -175.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.462 ' O ' HG12 ' A' ' 97' ' ' ILE . 1.9 t80 -69.5 -40.47 76.99 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 109.065 -0.717 . . . . 73.34 109.065 175.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.622 ' HD3' ' HD2' ' A' ' 106' ' ' LYS . 23.0 mtpt -58.93 -52.88 63.87 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.41 0.684 . . . . 75.44 112.514 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -56.99 -26.51 60.23 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 123.496 0.498 . . . . 74.41 111.681 -173.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 32.8 mmtp -79.24 -50.25 11.23 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.596 0.758 . . . . 74.44 110.891 176.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.468 HG23 ' HB2' ' A' ' 102' ' ' TYR . 38.3 mm -65.27 -39.55 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 123.939 0.896 . . . . 75.41 110.971 -175.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -53.47 -48.01 69.27 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.637 1.175 . . . . 72.41 111.75 168.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.1 t -70.37 -23.46 62.79 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 123.531 0.732 . . . . 72.23 111.259 -178.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -75.67 -8.85 57.84 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.194 0.598 . . . . 73.44 111.456 174.695 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.07 25.58 24.05 Favored Glycine 0 C--N 1.344 0.994 0 CA-C-N 116.367 -0.379 . . . . 73.42 112.715 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.52 ' HH ' ' HA ' ' A' ' 69' ' ' GLU . 10.5 m-85 -113.13 158.0 20.94 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.755 -0.831 . . . . 74.41 108.755 174.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -109.26 131.54 54.97 Favored 'General case' 0 C--O 1.245 0.852 0 N-CA-C 108.766 -0.828 . . . . 54.21 108.766 175.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.547 HG13 ' HE3' ' A' ' 94' ' ' LYS . 1.5 p -134.79 133.11 54.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.268 -0.878 . . . . 74.32 110.558 -174.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -97.11 144.38 27.02 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 124.204 1.002 . . . . 71.14 109.918 171.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.622 ' HD2' ' HD3' ' A' ' 94' ' ' LYS . 14.4 ptmm? -117.25 141.63 48.06 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 124.019 0.928 . . . . 74.23 109.046 176.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.446 HG22 ' HB3' ' A' ' 83' ' ' GLN . 29.1 m -147.63 165.05 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 124.718 1.207 . . . . 74.45 109.38 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.7 m -116.95 -50.33 2.59 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.664 0.745 . . . . 72.23 109.473 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -94.08 160.29 14.78 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 114.346 -1.297 . . . . 65.23 110.49 -170.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -53.05 -53.64 47.27 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.451 1.5 . . . . 73.14 112.029 175.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -60.55 -36.76 79.22 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 123.943 0.777 . . . . 64.33 112.076 -173.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.47 -45.05 81.0 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.126 0.57 . . . . 64.0 109.997 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.04 -49.47 75.87 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.855 0.862 . . . . 75.1 111.788 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.8 mt -58.88 -45.02 91.17 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.207 1.003 . . . . 73.41 111.06 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 61.1 tttm -63.58 -44.94 92.6 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 114.476 -1.238 . . . . 71.32 110.169 -175.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 34.6 mt -72.89 -27.16 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.417 0.687 . . . . 75.14 112.564 -174.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 113' ' ' ALA . 73.9 t -54.18 -42.06 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 CA-C-O 121.4 0.619 . . . . 75.31 109.944 168.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -82.89 -37.21 24.58 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.461 1.105 . . . . 72.03 111.952 -178.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 24.9 mm-40 -57.73 -46.52 84.34 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.292 0.637 . . . . 61.13 109.552 176.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -43.94 -42.12 5.7 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 125.377 1.471 . . . . 73.22 112.322 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.9 mtt -62.5 -19.19 63.34 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 114.793 -1.094 . . . . 74.11 113.267 -172.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -100.24 -40.89 7.32 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 118.24 0.473 . . . . 75.51 110.421 164.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 75.3 mmtt -65.8 -22.77 66.59 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.576 1.151 . . . . 72.22 113.148 -168.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.414 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . . . -74.65 8.38 2.4 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 114.187 1.181 . . . . 71.31 114.187 -169.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 90.16 -7.82 80.91 Favored Glycine 0 C--N 1.342 0.885 0 N-CA-C 111.491 -0.644 . . . . 53.33 111.491 -171.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.7 t -57.77 -46.69 84.2 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 123.933 0.893 . . . . 63.42 110.076 173.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.5 tt -108.37 84.04 1.87 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 106.565 -1.642 . . . . 75.51 106.565 170.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -100.97 122.23 43.14 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.781 0.832 . . . . 75.35 109.762 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -77.79 -26.37 49.65 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.369 0.668 . . . . 72.41 110.551 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -85.99 46.05 1.28 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.108 0.963 . . . . 70.13 109.279 170.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -55.06 113.33 1.31 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.237 1.415 . . . . 74.2 111.587 -173.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -68.44 92.15 0.43 Allowed 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.951 -0.759 . . . . 72.24 108.951 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -163.57 133.68 4.3 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 123.816 0.846 . . . . 75.3 109.046 -177.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 . . . . . 0 C--O 1.249 1.059 0 O-C-N 123.912 0.758 . . . . 74.15 109.549 177.843 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 109.32 -0.622 . . . . 62.34 109.32 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -85.11 155.16 21.61 Favored 'General case' 0 C--N 1.346 0.456 0 CA-C-O 121.75 0.786 . . . . 72.44 111.619 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.444 ' HG3' ' HB2' ' A' ' 124' ' ' ALA . 6.1 mm-40 -113.6 149.64 34.24 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-N 114.27 -1.332 . . . . 75.45 108.449 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.94 121.82 12.0 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.721 -0.474 . . . . 74.52 109.721 -176.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 tt -118.55 137.46 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 109.552 -0.536 . . . . 73.53 109.552 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 67' ' ' MET . 4.6 mp -116.34 132.0 56.79 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 107.832 -1.174 . . . . 74.53 107.832 174.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.524 HG13 HD21 ' A' ' 81' ' ' LEU . 2.2 mp -110.92 135.48 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 107.94 -1.133 . . . . 64.5 107.94 174.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.504 ' HB2' HD12 ' A' ' 64' ' ' LEU . 27.0 t-20 -116.54 109.01 16.7 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 107.101 -1.444 . . . . 73.21 107.101 168.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.565 HG23 HG12 ' A' ' 15' ' ' ILE . 1.2 t -125.64 118.66 26.15 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.511 -0.922 . . . . 74.41 108.511 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -94.79 10.77 33.9 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.907 -1.042 . . . . 75.24 110.202 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.477 ' O ' HG13 ' A' ' 15' ' ' ILE . 59.3 t-20 -108.43 119.63 40.07 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.702 1.201 . . . . 75.44 108.909 178.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -55.28 -56.6 18.2 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.667 1.187 . . . . 72.33 112.181 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -64.27 -32.43 74.02 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 115.323 -0.853 . . . . 65.32 110.651 -175.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.562 HD11 ' HB3' ' A' ' 110' ' ' ASP . 53.7 tp -69.99 -38.94 76.16 Favored 'General case' 0 C--N 1.362 1.138 0 CA-C-O 118.489 -0.767 . . . . 72.31 110.953 -179.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.565 HG12 HG23 ' A' ' 9' ' ' THR . 40.0 mt -51.57 -47.76 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 N-CA-C 109.066 -0.716 . . . . 63.23 109.066 176.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 52.9 mttm -59.47 -50.89 72.16 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.334 -1.303 . . . . 72.0 110.786 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.544 ' HE2' HD13 ' A' ' 114' ' ' LEU . 57.7 mtpt -58.11 -45.15 87.74 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.349 1.059 . . . . 72.22 111.697 -176.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.553 ' O ' HG22 ' A' ' 22' ' ' VAL . 75.6 mt -58.84 -53.56 45.82 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 O-C-N 124.369 1.043 . . . . 72.42 109.292 178.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 53.6 mtmt -56.69 -37.23 70.58 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 124.053 0.846 . . . . 70.44 112.156 -177.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 14.6 mmmm -66.87 -38.74 86.9 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 123.688 0.617 . . . . 74.22 111.039 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 25.0 mm-40 -62.61 -46.6 87.51 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 123.452 0.47 . . . . 74.44 110.212 173.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.553 HG22 ' O ' ' A' ' 18' ' ' ILE . 58.1 t -63.26 -36.6 76.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.643 1.177 . . . . 75.33 111.547 -174.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.09 -39.67 90.19 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.81 0.844 . . . . 74.03 110.441 174.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -67.97 -26.7 66.06 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.563 0.745 . . . . 73.41 111.385 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 10.2 mm-40 -91.78 -10.2 40.83 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.111 0.565 . . . . 74.15 111.283 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.4 18.1 63.02 Favored Glycine 0 C--N 1.353 1.514 0 N-CA-C 114.548 0.579 . . . . 71.12 114.548 172.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.493 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 2.4 m-85 -88.02 156.56 19.25 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.452 0.701 . . . . 75.53 110.215 178.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -78.72 115.43 18.41 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 109.214 -0.662 . . . . 71.54 109.214 175.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.2 t -85.77 117.27 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 122.782 0.433 . . . . 74.24 110.891 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.477 ' HB2' ' HA ' ' A' ' 56' ' ' ILE . 7.1 mpt_? -99.19 122.87 42.97 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.113 0.565 . . . . 75.43 109.515 169.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -93.31 114.19 26.58 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 106.657 -1.609 . . . . 64.13 106.657 155.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.453 HG11 HD12 ' A' ' 63' ' ' LEU . 84.0 t -116.4 118.01 57.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 107.282 -1.377 . . . . 72.23 107.282 173.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -117.09 -18.04 10.15 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.516 1.126 . . . . 75.23 108.574 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -132.49 152.25 51.61 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.202 1.001 . . . . 63.2 109.685 -172.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.8 p -66.1 -22.07 66.38 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.297 1.039 . . . . 71.15 112.957 -175.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.06 -37.25 69.69 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.234 0.613 . . . . 72.32 109.562 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -67.9 -37.27 81.51 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.154 -0.93 . . . . 75.11 111.771 -173.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.445 ' HB3' HG12 ' A' ' 32' ' ' VAL . 4.0 pp -71.74 -45.68 60.98 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 123.22 0.325 . . . . 74.11 110.639 -179.173 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 18.2 ptpt -70.18 -28.31 65.21 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 111.486 0.18 . . . . 74.1 111.486 -172.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -80.28 -30.75 38.35 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 122.636 0.375 . . . . 74.44 111.726 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -85.5 -24.26 27.42 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 117.831 0.287 . . . . 75.32 111.338 176.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.543 ' SD ' HD12 ' A' ' 45' ' ' LEU . 13.7 mmt -65.31 -21.61 66.73 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.283 0.633 . . . . 74.24 110.997 171.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 95.7 mttt -69.2 -39.89 78.36 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.549 0.74 . . . . 71.33 110.979 172.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -56.16 -40.82 74.45 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.438 0.695 . . . . 73.24 110.273 174.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.543 HD12 ' SD ' ' A' ' 42' ' ' MET . 61.1 mt -68.66 -44.44 74.08 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.292 -1.322 . . . . 73.03 110.519 177.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.65 -28.25 68.96 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.643 0.777 . . . . 72.31 112.328 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -81.1 -53.26 6.55 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.872 0.469 . . . . 60.31 111.5 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -89.43 137.06 32.66 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.922 0.489 . . . . 71.22 110.773 -174.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -74.46 -64.75 0.96 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.003 0.814 . . . . 75.42 112.308 -168.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -147.48 95.14 2.48 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.255 -0.646 . . . . 74.41 109.255 -176.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -122.29 -176.19 3.3 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.203 -1.036 . . . . 73.51 108.203 171.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -52.12 140.28 21.24 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.545 0.738 . . . . 74.0 111.864 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 148.52 47.74 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.304 0.573 . . . . 74.55 111.421 -176.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.4 mp -109.99 146.46 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 114.648 -1.16 . . . . 70.54 109.089 -169.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.528 HD22 HG21 ' A' ' 22' ' ' VAL . 6.4 tt -113.13 118.46 34.78 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.613 -0.884 . . . . 71.31 108.613 175.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.487 HG23 ' SD ' ' A' ' 67' ' ' MET . 20.0 mm -97.92 137.14 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 108.211 -1.033 . . . . 74.42 108.211 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.463 HG21 HG23 ' A' ' 15' ' ' ILE . 61.1 mt -116.57 133.43 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 107.339 -1.356 . . . . 71.15 107.339 165.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.511 ' HB2' ' HE2' ' A' ' 67' ' ' MET . 47.1 t -137.26 123.43 20.46 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 108.355 -0.98 . . . . 71.22 108.355 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -70.11 -35.32 74.03 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 124.084 0.865 . . . . 75.54 110.224 -178.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.418 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 27.1 t70 -99.3 150.14 22.41 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.081 0.953 . . . . 73.24 112.207 -173.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -78.71 -37.88 40.42 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.339 1.056 . . . . 65.21 111.764 -176.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -66.97 -32.53 73.83 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.171 0.588 . . . . 74.14 109.942 -176.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.453 HD12 HG11 ' A' ' 32' ' ' VAL . 57.4 mt -65.77 -43.0 90.16 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 124.088 0.867 . . . . 71.25 110.188 177.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.504 HD12 ' HB2' ' A' ' 8' ' ' ASN . 88.7 mt -53.61 -52.05 61.09 Favored 'General case' 0 C--N 1.364 1.207 0 O-C-N 124.256 0.972 . . . . 73.33 110.017 177.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -56.82 -45.41 82.3 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.665 1.228 . . . . 75.23 111.232 -175.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -56.16 -50.19 71.85 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 123.822 0.701 . . . . 74.02 111.239 176.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.511 ' HE2' ' HB2' ' A' ' 58' ' ' SER . 33.5 mtt -61.68 -49.45 76.47 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 115.605 -0.725 . . . . 75.3 111.29 -178.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 79.9 mt -53.12 -38.01 62.26 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.959 0.904 . . . . 74.14 111.286 -176.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -76.51 -34.5 58.59 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.925 -1.034 . . . . 74.13 112.149 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.32 -52.98 33.83 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.739 0.416 . . . . 73.54 110.339 174.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.479 HG22 ' HB2' ' A' ' 76' ' ' TYR . 61.3 mt -56.8 -30.5 33.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 125.66 1.584 . . . . 73.12 111.289 178.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.3 t -55.53 -51.84 65.68 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.014 0.925 . . . . 73.3 110.888 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.86 -6.78 57.93 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 112.212 0.449 . . . . 74.34 112.212 176.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 71' ' ' ILE . 80.2 mt -76.05 -21.42 56.82 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.267 -0.642 . . . . 72.54 109.267 170.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.17 4.09 74.96 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-N 115.909 -0.587 . . . . 65.02 113.957 173.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.479 ' HB2' HG22 ' A' ' 71' ' ' ILE . 8.5 m-30 -80.95 159.96 24.77 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 117.078 0.439 . . . . 74.25 110.455 -176.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.582 ' HB2' ' HZ1' ' A' ' 77' ' ' LYS . 4.5 ttmp? -71.05 115.62 10.4 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 108.362 -0.977 . . . . 74.03 108.362 174.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.3 t -88.51 106.5 16.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 N-CA-C 108.579 -0.897 . . . . 73.3 108.579 -174.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -114.66 137.97 51.26 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 106.992 -1.484 . . . . 75.33 106.992 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.465 HD21 HD11 ' A' ' 68' ' ' LEU . 51.7 tp -134.35 148.03 50.64 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 108.02 -1.104 . . . . 74.41 108.02 -177.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.524 HD21 HG13 ' A' ' 7' ' ' ILE . 43.4 tp -142.93 141.28 31.44 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 106.806 -1.554 . . . . 74.13 106.806 177.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' A' ' 90' ' ' LEU . 1.1 pp -147.24 146.38 29.77 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.849 0.46 . . . . 75.41 110.801 176.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.63 140.03 23.4 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 124.657 1.183 . . . . 75.01 108.137 176.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.462 ' N ' HD12 ' A' ' 90' ' ' LEU . 23.2 t70 -164.76 165.63 20.54 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.34 0.656 . . . . 74.1 110.166 -179.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -57.53 -55.18 38.18 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.614 1.565 . . . . 74.42 110.768 170.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.06 92.55 8.32 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 108.584 -0.895 . . . . 72.34 108.584 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -80.11 -6.55 57.88 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 115.785 -0.643 . . . . 75.05 111.354 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -72.91 -27.88 62.14 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.723 -0.611 . . . . 73.4 110.516 176.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -74.93 -37.06 62.11 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.971 0.508 . . . . 63.44 110.427 169.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.582 ' HB3' HD12 ' A' ' 82' ' ' LEU . 75.2 mt -64.9 -42.31 94.86 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.255 0.622 . . . . 70.14 112.497 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.05 -33.11 71.53 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.739 0.416 . . . . 72.44 110.712 -178.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -63.95 -47.75 79.23 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.701 1.2 . . . . 70.41 110.749 175.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.404 ' O ' HG12 ' A' ' 97' ' ' ILE . 60.4 t80 -65.78 -48.06 73.05 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.013 0.925 . . . . 74.32 110.073 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.477 ' HG3' HG21 ' A' ' 104' ' ' VAL . 19.7 ttpt -56.99 -53.35 59.06 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.844 1.258 . . . . 75.34 112.391 -174.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -61.47 -28.95 69.65 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.905 0.706 . . . . 74.23 112.905 -173.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.441 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 33.3 mmtp -72.0 -37.49 69.82 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.657 -0.701 . . . . 74.24 110.207 176.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 93' ' ' PHE . 45.0 mm -73.36 -35.51 46.41 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.42 0 C-N-CA 124.169 0.988 . . . . 64.53 111.913 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -55.05 -49.45 71.56 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.483 0.713 . . . . 74.44 111.693 176.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 91.9 p -65.2 -19.58 66.04 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.005 -0.998 . . . . 64.55 112.319 -177.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 75.1 mm-40 -76.97 -16.73 59.25 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.284 0.634 . . . . 74.15 111.52 177.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.96 9.67 48.18 Favored Glycine 0 C--N 1.347 1.183 0 O-C-N 123.66 0.6 . . . . 72.11 112.967 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -95.5 140.87 29.73 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.214 0.606 . . . . 74.44 109.848 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -78.15 126.15 30.39 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.758 -0.83 . . . . 75.14 108.758 173.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.477 HG21 ' HG3' ' A' ' 94' ' ' LYS . 2.1 p -138.95 120.04 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 123.063 0.545 . . . . 71.34 110.464 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -100.31 123.28 44.35 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 123.098 0.559 . . . . 75.2 109.504 -178.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.49 ' HA ' HD13 ' A' ' 82' ' ' LEU . 23.0 ttpp -102.13 121.46 42.26 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 108.839 -0.801 . . . . 75.21 108.839 176.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 31.0 m -133.77 163.35 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.559 0.744 . . . . 63.33 109.123 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 21.2 m -109.49 -52.12 2.8 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 123.763 0.825 . . . . 72.43 109.247 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.534 ' HB2' ' HG2' ' A' ' 112' ' ' GLU . 7.9 m-20 -74.26 143.18 45.18 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.227 -0.897 . . . . 72.41 110.792 -173.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.562 ' HB3' HD11 ' A' ' 14' ' ' LEU . 41.7 m-20 -62.65 -35.91 81.16 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.105 -1.407 . . . . 72.03 112.085 177.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.0 -33.61 73.95 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.637 0.775 . . . . 65.31 111.368 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' A' ' 109' ' ' ASP . 12.8 mm-40 -69.7 -38.64 77.04 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 122.884 0.474 . . . . 74.41 109.935 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.87 -45.57 88.85 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.722 0.639 . . . . 73.11 111.367 176.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.544 HD13 ' HE2' ' A' ' 17' ' ' LYS . 89.7 mt -61.49 -38.07 85.98 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.506 0.722 . . . . 72.11 110.83 176.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.7 tmmt? -65.34 -39.21 92.1 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.817 0.847 . . . . 65.01 110.865 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.501 ' HA ' ' HG2' ' A' ' 119' ' ' GLU . 45.4 mm -67.35 -38.35 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 O-C-N 123.571 0.544 . . . . 74.11 110.452 177.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 67.7 t -60.72 -45.84 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.481 0.712 . . . . 75.25 110.342 174.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.52 -48.97 65.51 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.466 0.706 . . . . 71.31 111.466 -177.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' A' ' 116' ' ' ILE . 11.5 pt-20 -65.62 -26.75 67.96 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 119.205 -0.426 . . . . 64.54 111.487 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -58.83 -35.03 72.23 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 118.156 0.435 . . . . 75.13 110.582 173.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.493 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 14.8 mmt -60.58 -29.62 69.3 Favored 'General case' 0 CA--C 1.558 1.25 0 C-N-CA 122.76 0.424 . . . . 73.24 111.686 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 4.7 pt20 -99.21 -21.13 16.25 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.125 0.57 . . . . 73.44 112.102 177.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 74.7 mmtt -66.9 -51.63 53.06 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.695 -0.854 . . . . 71.41 108.695 173.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.444 ' HB2' ' HG3' ' A' ' 3' ' ' GLU . . . -69.11 -32.15 71.35 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 113.47 -1.696 . . . . 74.32 112.484 -174.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -155.79 -100.83 0.18 Allowed Glycine 0 C--N 1.341 0.828 0 N-CA-C 110.649 -0.98 . . . . 33.05 110.649 178.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.4 t -163.18 130.86 3.62 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.316 -0.624 . . . . 72.03 109.316 176.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.2 tt -159.09 102.55 1.63 Allowed 'General case' 0 C--O 1.238 0.48 0 N-CA-C 106.082 -1.821 . . . . 71.22 106.082 176.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.93 115.78 7.04 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.099 0.96 . . . . 72.1 111.92 -171.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -148.27 142.75 26.39 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.525 -0.917 . . . . 71.31 108.525 170.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -81.78 155.96 25.18 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.494 -0.928 . . . . 71.11 108.494 170.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -64.81 111.38 2.77 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 108.978 -0.749 . . . . 61.13 108.978 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -74.99 -7.11 52.7 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 112.656 0.613 . . . . 73.33 112.656 -168.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -84.14 -74.54 0.38 Allowed 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 107.442 -1.318 . . . . 53.02 107.442 166.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 64.0 t60 . . . . . 0 C--O 1.252 1.21 0 C-N-CA 124.496 1.118 . . . . 74.03 108.911 166.177 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 108.697 -0.853 . . . . 65.45 108.697 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -129.13 111.19 12.68 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 123.088 0.555 . . . . 73.14 110.11 -171.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 2.2 mp0 -119.01 154.7 32.66 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.425 1.09 . . . . 55.4 108.623 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -118.39 112.58 20.18 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.575 -0.898 . . . . 75.5 108.575 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.439 HG22 ' HG ' ' A' ' 55' ' ' LEU . 7.4 tt -100.38 124.62 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 109.19 -0.67 . . . . 73.13 109.19 177.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.412 HD21 ' HE2' ' A' ' 67' ' ' MET . 5.8 mp -107.17 122.34 46.31 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.657 -0.868 . . . . 74.31 108.657 177.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.629 HG21 HD13 ' A' ' 18' ' ' ILE . 2.5 mp -101.15 129.45 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 108.195 -1.039 . . . . 75.32 108.195 174.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.563 ' HB2' HD11 ' A' ' 64' ' ' LEU . 7.1 t-20 -106.72 115.54 30.37 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.15 -1.055 . . . . 64.11 108.15 170.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.526 HG23 HG12 ' A' ' 15' ' ' ILE . 1.8 t -139.03 112.11 7.97 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 123.745 0.653 . . . . 75.5 109.408 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -84.99 -18.41 34.55 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 115.242 -0.89 . . . . 74.32 109.947 173.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.469 ' O ' HG13 ' A' ' 15' ' ' ILE . 48.7 t-20 -72.63 105.26 4.18 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 108.516 -0.92 . . . . 74.13 108.516 178.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -54.95 -46.44 74.99 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.721 1.208 . . . . 73.3 111.894 -172.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -65.65 -40.86 92.91 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 114.877 -1.056 . . . . 71.45 110.731 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 110' ' ' ASP . 39.3 tp -64.18 -37.41 87.35 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.462 0.705 . . . . 74.3 111.144 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.526 HG12 HG23 ' A' ' 9' ' ' THR . 14.2 mt -54.89 -47.23 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 CA-C-O 121.148 0.499 . . . . 74.42 109.878 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -59.4 -46.98 87.19 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 114.595 -1.184 . . . . 74.31 111.295 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -64.01 -42.06 97.26 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.936 0.894 . . . . 74.42 111.647 -176.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.629 HD13 HG21 ' A' ' 7' ' ' ILE . 77.8 mt -58.93 -50.54 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.326 0.651 . . . . 74.15 109.398 177.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.518 ' HE3' HG22 ' A' ' 15' ' ' ILE . 98.1 mttt -52.53 -39.46 61.4 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 124.109 0.881 . . . . 74.44 112.444 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -64.76 -46.51 81.85 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.4 0.437 . . . . 71.33 110.258 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -62.25 -37.83 86.92 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.544 0.737 . . . . 63.12 111.977 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 18' ' ' ILE . 58.9 t -65.23 -36.3 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.302 1.041 . . . . 74.45 110.653 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.03 -42.15 94.61 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.865 -0.607 . . . . 73.44 110.0 174.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -67.4 -30.23 69.95 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.109 0.564 . . . . 73.3 111.164 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -78.92 -21.11 47.82 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.592 0.757 . . . . 72.41 111.013 177.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.06 22.6 54.58 Favored Glycine 0 C--N 1.345 1.063 0 CA-C-N 116.497 -0.32 . . . . 65.12 113.025 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.474 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 3.4 m-85 -97.0 158.51 15.39 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.919 0.888 . . . . 75.14 109.707 175.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.511 ' HB2' HG21 ' A' ' 54' ' ' ILE . 1.4 mp0 -82.67 112.66 19.74 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.784 -0.821 . . . . 73.41 108.784 -177.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.3 t -70.4 99.82 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 109.185 -0.672 . . . . 75.53 109.185 173.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.519 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 0.7 OUTLIER -119.97 107.16 12.77 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 107.631 -1.248 . . . . 73.24 107.631 178.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -123.88 117.1 24.08 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 121.466 0.651 . . . . 72.43 111.906 -170.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.627 HG23 ' SD ' ' A' ' 67' ' ' MET . 54.7 t -79.5 129.88 36.91 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 C-N-CA 125.408 1.483 . . . . 71.01 110.616 175.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -133.72 15.46 3.99 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.126 0.57 . . . . 75.22 110.434 173.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -161.01 152.83 19.64 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.898 0.879 . . . . 74.41 110.476 -176.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.9 m -65.69 -35.74 81.63 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.476 1.111 . . . . 75.25 113.03 -174.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.495 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 5.2 m-20 -83.15 -19.24 37.01 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.804 0.442 . . . . 75.21 111.177 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -72.61 -36.68 68.13 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.384 -0.371 . . . . 74.45 111.077 174.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.442 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.9 pp -64.66 -41.53 96.04 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 118.147 0.431 . . . . 70.03 111.023 -174.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.495 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 17.2 ptpt -69.83 -36.57 75.7 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.768 -0.651 . . . . 75.4 111.19 -173.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -75.47 -26.11 57.94 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.177 0.591 . . . . 74.54 110.935 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -77.66 -32.64 53.32 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.995 0.918 . . . . 71.24 111.054 174.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.412 ' HG3' HD11 ' A' ' 70' ' ' LEU . 34.6 mmt -72.27 -28.83 63.37 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.013 0.525 . . . . 63.43 111.329 175.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 98.2 mttt -62.89 -37.38 86.71 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.75 0.42 . . . . 74.24 110.606 174.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -61.64 -27.4 68.64 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.974 0.91 . . . . 73.44 113.016 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.425 ' HB3' ' HE2' ' A' ' 76' ' ' TYR . 76.5 mt -73.01 -34.83 66.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 122.821 0.448 . . . . 74.33 110.726 175.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.61 -33.13 53.85 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.722 0.809 . . . . 72.42 111.351 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -77.92 -48.25 16.78 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.022 0.929 . . . . 72.43 110.867 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -104.84 116.3 31.77 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.046 0.938 . . . . 64.12 108.525 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -101.34 -66.19 0.93 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.086 0.554 . . . . 72.43 110.678 -175.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -91.67 98.11 11.44 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.642 0.777 . . . . 74.33 111.061 -168.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.505 ' CZ ' HD12 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -171.06 -179.72 2.82 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.323 1.049 . . . . 75.31 109.939 173.064 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.36 144.11 56.75 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 121.194 0.521 . . . . 74.22 110.119 176.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 40.1 pttt -67.01 157.24 33.96 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.908 -1.042 . . . . 75.41 112.667 -174.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.511 HG21 ' HB2' ' A' ' 28' ' ' GLN . 2.9 mp -109.28 143.04 20.21 Favored 'Isoleucine or valine' 0 C--O 1.245 0.821 0 CA-C-N 114.693 -1.139 . . . . 54.45 108.715 -168.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.498 HD11 HG21 ' A' ' 22' ' ' VAL . 9.0 tt -104.78 117.03 33.05 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.462 -0.94 . . . . 74.44 108.462 174.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.519 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 18.4 mm -97.23 137.06 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 123.668 0.787 . . . . 70.14 109.078 177.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 56.0 mt -116.49 147.98 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 107.64 -1.245 . . . . 73.44 107.64 167.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.5 t -146.02 146.14 30.86 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 123.765 0.826 . . . . 73.13 109.019 174.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -94.59 -5.07 46.65 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.704 -0.68 . . . . 71.24 112.242 -175.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -144.36 153.37 41.9 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.16 0.505 . . . . 73.2 111.927 -176.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.44 ' HA ' HD13 ' A' ' 64' ' ' LEU . 47.2 mmtm -68.7 -32.56 72.45 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.622 1.169 . . . . 75.21 112.552 -177.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.02 -35.51 80.08 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.957 0.503 . . . . 73.13 110.682 -177.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.505 HD13 HG12 ' A' ' 32' ' ' VAL . 49.3 mt -73.56 -42.54 61.52 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-N 115.426 -0.806 . . . . 74.51 109.319 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 8' ' ' ASN . 95.4 mt -52.79 -57.34 10.51 Favored 'General case' 0 C--N 1.361 1.072 0 O-C-N 124.192 0.933 . . . . 74.44 110.041 173.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -49.77 -48.91 50.13 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.057 1.343 . . . . 74.41 111.467 -171.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -59.86 -54.63 43.98 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.085 -0.962 . . . . 51.42 112.063 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.627 ' SD ' HG23 ' A' ' 32' ' ' VAL . 77.9 mtm -61.81 -46.74 88.19 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 123.505 0.503 . . . . 72.33 111.913 -176.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 97' ' ' ILE . 83.9 mt -50.15 -42.75 51.42 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.799 1.24 . . . . 74.01 111.494 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -72.49 -44.49 62.2 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.36 -0.836 . . . . 74.33 111.402 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.412 HD11 ' HG3' ' A' ' 42' ' ' MET . 88.6 mt -61.94 -48.76 78.99 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.979 0.512 . . . . 73.34 111.387 -177.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 80.3 mt -58.17 -33.06 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 C-N-CA 125.014 1.325 . . . . 74.41 111.759 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -60.7 -50.4 73.64 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.595 0.758 . . . . 73.03 111.056 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.9 -6.77 58.68 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 112.187 0.44 . . . . 73.35 112.187 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.403 HD12 ' HB2' ' A' ' 45' ' ' LEU . 83.5 mt -73.61 -26.66 60.9 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 109.404 -0.591 . . . . 74.11 109.404 165.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.26 59.93 1.52 Allowed Glycine 0 C--N 1.347 1.146 0 CA-C-N 115.967 -0.56 . . . . 62.35 111.875 173.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.425 ' HE2' ' HB3' ' A' ' 45' ' ' LEU . 39.6 m-85 -131.29 161.33 32.56 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.167 0.987 . . . . 74.11 109.226 173.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -80.62 112.86 18.38 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 108.166 -1.05 . . . . 73.24 108.166 174.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.3 t -89.66 118.5 35.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 115.782 -0.645 . . . . 73.53 109.924 -170.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -113.06 143.55 44.14 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.052 -1.092 . . . . 73.23 108.052 175.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.1 tp -135.34 147.79 49.24 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.351 1.06 . . . . 75.03 108.716 177.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.5 tp -147.16 114.06 6.12 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 107.17 -1.418 . . . . 74.12 107.17 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.467 HD11 ' HA ' ' A' ' 106' ' ' LYS . 1.0 OUTLIER -119.73 145.92 46.11 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.003 0.521 . . . . 72.24 110.89 -176.58 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.07 143.28 40.41 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 123.192 0.597 . . . . 71.51 109.867 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -168.1 162.06 12.88 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.816 0.846 . . . . 74.11 108.958 168.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -68.22 -30.73 69.86 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 122.948 0.499 . . . . 75.13 111.117 176.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -88.41 120.0 29.37 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 107.675 -1.231 . . . . 75.15 107.675 170.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.587 ' HG2' ' HD3' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -89.3 -25.1 21.83 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.814 1.246 . . . . 75.12 111.111 -174.349 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.454 ' O ' ' HG3' ' A' ' 92' ' ' GLU . 17.0 m120 -80.98 -30.43 35.08 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 112.735 0.643 . . . . 74.51 112.735 -172.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -69.3 -32.99 72.5 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.172 0.511 . . . . 74.22 109.788 172.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.458 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.8 mt -64.66 -38.06 89.7 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.065 -0.97 . . . . 70.31 111.428 177.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.469 ' HB3' ' NZ ' ' A' ' 106' ' ' LYS . 11.6 pt-20 -75.52 -29.88 59.6 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 123.225 0.328 . . . . 72.32 111.502 -178.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 88' ' ' ASN . 51.1 mt-10 -67.49 -40.98 85.23 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 123.02 0.528 . . . . 70.34 110.716 178.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' ' 97' ' ' ILE . 65.6 t80 -69.48 -43.75 72.54 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.134 -0.485 . . . . 74.32 109.843 172.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -62.08 -44.24 97.09 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.701 0.8 . . . . 72.23 112.613 -172.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.02 -32.08 70.55 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.089 0.556 . . . . 70.35 111.439 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -64.56 -41.81 96.08 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.748 0.819 . . . . 74.54 110.467 173.533 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 93' ' ' PHE . 27.4 mm -74.04 -40.84 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 124.105 0.962 . . . . 74.35 111.053 -175.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.39 -31.19 71.82 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.644 1.178 . . . . 74.12 111.222 171.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.7 t -67.7 -34.26 76.53 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.207 0.603 . . . . 61.11 110.155 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 86.5 mm-40 -77.54 -21.34 52.76 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.339 0.656 . . . . 75.32 110.83 175.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.02 6.78 61.57 Favored Glycine 0 C--N 1.344 1.008 0 CA-C-O 119.648 -0.529 . . . . 54.33 113.718 175.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.458 ' HB2' HG21 ' A' ' 97' ' ' ILE . 8.9 m-85 -75.17 142.21 43.55 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 109.335 -0.617 . . . . 74.43 109.335 -178.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -74.13 88.08 1.93 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.356 0.663 . . . . 73.31 109.761 -178.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.3 p -101.97 139.62 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 123.448 0.699 . . . . 75.51 110.451 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.401 ' HG3' HG21 ' A' ' 116' ' ' ILE . 6.2 mmp_? -118.64 144.03 46.43 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 125.256 1.422 . . . . 73.43 108.812 175.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.587 ' HD3' ' HG2' ' A' ' 87' ' ' GLU . 30.6 ttmt -115.75 138.24 51.32 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.21 0.604 . . . . 74.53 109.581 174.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.8 m -143.57 -178.26 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.829 0 C-N-CA 124.329 1.051 . . . . 71.2 108.87 172.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 52.3 m -133.79 -48.21 0.81 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.361 0.664 . . . . 75.2 109.782 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -84.21 156.26 22.12 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.634 -0.712 . . . . 74.55 111.42 -172.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.472 ' HA ' HD23 ' A' ' 14' ' ' LEU . 8.7 t70 -51.85 -53.73 37.1 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.358 1.463 . . . . 64.53 111.267 176.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 11.0 pt-20 -62.94 -38.79 92.43 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.585 0.553 . . . . 74.44 111.116 -173.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.91 -36.97 85.69 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.525 0.73 . . . . 72.33 111.205 -175.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.97 81.03 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.742 -0.663 . . . . 73.42 110.663 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.36 -33.53 75.72 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.266 0.626 . . . . 73.23 111.375 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 111' ' ' GLU . 68.1 mttm -60.08 -52.23 66.24 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.474 0.71 . . . . 74.13 110.473 177.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.412 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 25.3 mt -74.82 -24.45 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 O-C-N 123.912 0.758 . . . . 74.43 112.052 -172.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 62.1 t -53.51 -43.74 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 N-CA-C 109.641 -0.503 . . . . 75.02 109.641 166.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -76.74 -38.26 54.54 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.935 -0.575 . . . . 75.32 111.562 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.412 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 17.5 mm-40 -64.01 -25.76 68.27 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.78 0.432 . . . . 75.54 112.121 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.447 ' HD2' ' SD ' ' A' ' 121' ' ' MET . 65.7 t80 -56.92 -47.61 80.19 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.849 0.46 . . . . 75.2 110.648 169.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.474 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 13.3 mmt -56.5 -29.49 61.88 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.725 1.265 . . . . 73.05 112.041 -169.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 123' ' ' LYS . 8.0 pt20 -98.74 -57.16 2.25 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 123.058 0.543 . . . . 74.34 111.668 173.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 0.4 OUTLIER -78.93 -23.76 44.47 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 124.547 1.139 . . . . 74.51 113.205 -156.426 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.19 -56.63 15.1 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 112.072 0.397 . . . . 75.4 112.072 -174.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -128.58 64.61 0.6 Allowed Glycine 0 N--CA 1.468 0.781 0 N-CA-C 110.432 -1.067 . . . . 75.22 110.432 174.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 26.7 p -72.89 80.58 1.17 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.236 1.014 . . . . 62.01 112.306 -172.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 52.3 tp 57.83 -84.06 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.733 1.613 . . . . 75.32 111.581 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -82.51 68.77 9.1 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 123.956 0.902 . . . . 73.4 109.457 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -87.27 135.1 33.44 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.224 -0.898 . . . . 75.0 110.052 -176.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -109.57 132.8 53.8 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.485 -0.931 . . . . 75.33 108.485 170.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -119.99 161.31 21.14 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.013 -1.106 . . . . 72.13 108.013 169.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -75.07 145.59 42.19 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.243 0.617 . . . . 73.1 109.936 177.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -64.04 85.82 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.669 0.387 . . . . 74.2 110.403 174.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 . . . . . 0 CA--C 1.56 1.356 0 C-N-CA 125.679 1.592 . . . . 75.34 111.235 178.872 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtp . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 108.887 -0.783 . . . . 74.03 108.887 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -95.63 102.14 13.91 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.31 -0.996 . . . . 75.24 108.31 167.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.444 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 3.4 mp0 -88.89 139.86 30.02 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 114.683 -1.144 . . . . 65.53 109.887 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -119.52 109.9 16.26 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 107.382 -1.34 . . . . 74.53 107.382 175.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.418 HG21 ' HG ' ' A' ' 55' ' ' LEU . 8.7 tt -105.59 131.3 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 C-N-CA 123.576 0.75 . . . . 74.53 109.119 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -111.74 119.87 40.08 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 107.999 -1.111 . . . . 75.32 107.999 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.486 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 2.1 mp -99.2 126.43 52.48 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.518 0 N-CA-C 108.284 -1.006 . . . . 70.21 108.284 176.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.554 ' HB2' HD11 ' A' ' 64' ' ' LEU . 6.6 t-20 -105.52 116.65 32.3 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 108.037 -1.098 . . . . 74.11 108.037 173.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.543 HG22 HG12 ' A' ' 15' ' ' ILE . 1.6 t -145.72 122.1 10.96 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.075 0.55 . . . . 73.11 110.02 175.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -100.99 -2.42 31.77 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.749 0.82 . . . . 63.4 110.403 172.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.481 ' O ' HG13 ' A' ' 15' ' ' ILE . 46.5 t-20 -78.07 98.38 5.74 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 107.86 -1.163 . . . . 71.23 107.86 173.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -47.06 -43.24 19.84 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 125.747 1.619 . . . . 42.44 113.119 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.46 -55.75 24.71 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.213 -0.903 . . . . 73.15 110.982 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.46 ' O ' HG13 ' A' ' 18' ' ' ILE . 52.0 tp -58.37 -36.41 73.45 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.231 0.957 . . . . 72.41 112.211 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.543 HG12 HG22 ' A' ' 9' ' ' THR . 32.9 mt -55.13 -50.4 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 CA-C-O 121.132 0.492 . . . . 74.33 110.077 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.461 ' HZ2' ' HB2' ' A' ' 16' ' ' LYS . 10.6 mtmp? -64.25 -38.77 92.24 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 114.732 -1.122 . . . . 74.15 111.242 -179.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -67.16 -39.51 86.51 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.446 0.698 . . . . 75.31 111.163 -178.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.49 ' O ' HG22 ' A' ' 22' ' ' VAL . 69.3 mt -62.94 -44.92 99.93 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 O-C-N 123.699 0.624 . . . . 75.34 109.318 176.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HE3' HG22 ' A' ' 15' ' ' ILE . 97.3 mttt -52.47 -48.84 65.63 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 123.799 0.687 . . . . 73.12 111.661 177.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -65.55 -36.87 85.05 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.324 0.65 . . . . 73.35 111.217 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 48.3 mm-40 -68.37 -38.5 81.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.736 0.814 . . . . 74.13 112.084 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 18' ' ' ILE . 89.2 t -72.15 -30.77 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.908 0.883 . . . . 73.42 110.476 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -65.72 -37.74 87.25 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.529 -0.76 . . . . 74.11 110.17 171.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -69.15 -34.73 75.46 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.235 0.614 . . . . 71.23 110.607 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 79.0 mm-40 -77.33 -16.87 58.71 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.948 0.499 . . . . 74.14 110.638 178.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.62 4.95 79.22 Favored Glycine 0 C--N 1.349 1.279 0 C-N-CA 122.888 0.28 . . . . 73.1 113.551 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.41 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 2.1 m-85 -86.96 155.42 20.2 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.658 0.783 . . . . 71.4 109.4 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.74 118.05 23.09 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.782 -0.645 . . . . 74.13 109.73 -173.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.1 t -79.07 114.65 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 109.377 -0.601 . . . . 75.24 109.377 175.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.486 ' HD2' HG22 ' A' ' 54' ' ' ILE . 93.8 mtt-85 -124.68 105.58 9.43 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 108.186 -1.042 . . . . 75.31 108.186 168.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -99.49 134.92 41.66 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 121.351 0.596 . . . . 74.02 110.131 -177.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.478 HG12 ' HB3' ' A' ' 38' ' ' LEU . 78.0 t -109.24 120.64 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 124.659 1.184 . . . . 75.11 108.662 -175.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -107.56 -15.48 14.59 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.875 0.87 . . . . 75.54 110.743 -178.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -153.65 164.8 37.66 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.536 0.734 . . . . 74.41 109.86 -173.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.7 p -58.76 -31.27 68.19 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.823 0.849 . . . . 75.44 111.483 175.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -77.13 -21.0 54.84 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.597 -0.729 . . . . 74.32 110.121 -178.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 55.9 mm-40 -77.13 -38.38 52.19 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.94 -0.573 . . . . 72.42 112.069 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.509 ' O ' ' HG2' ' A' ' 42' ' ' MET . 4.0 pp -70.94 -39.59 72.55 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 119.022 0.828 . . . . 75.43 110.702 -177.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -60.92 -37.94 84.05 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.676 0.39 . . . . 72.44 111.578 -176.037 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 21.1 ptmt -74.41 -28.84 61.26 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.399 0.68 . . . . 72.44 110.994 -175.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 5.1 mm-40 -85.35 -27.84 25.61 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.588 0.755 . . . . 73.21 111.103 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.509 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 85.4 mmm -69.56 -30.71 68.57 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 122.754 0.421 . . . . 71.42 110.165 173.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 23.5 mtpp -58.08 -49.09 78.12 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 115.3 -0.864 . . . . 71.3 110.493 172.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.449 ' HG3' ' NH1' ' A' ' 30' ' ' ARG . 75.9 mmtt -56.45 -39.1 72.58 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.068 0.947 . . . . 65.23 111.969 -177.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.2 mt -68.82 -34.72 75.98 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 114.933 -1.03 . . . . 71.31 110.976 178.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.69 -41.77 36.86 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.868 0.867 . . . . 75.11 111.738 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -77.32 -55.06 5.73 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.025 0.53 . . . . 74.41 111.368 -171.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -71.36 133.21 45.81 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.687 -0.688 . . . . 75.34 109.556 -177.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -104.4 -63.13 1.24 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.535 0.734 . . . . 73.4 110.623 -176.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -85.72 92.28 8.55 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.087 0.47 . . . . 73.13 110.265 -176.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -162.32 168.95 21.4 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.143 0.977 . . . . 73.44 110.024 174.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -81.25 -169.69 2.39 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.414 0.686 . . . . 72.13 110.655 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.444 ' HD3' ' HB2' ' A' ' 3' ' ' GLU . 13.1 ptpt -85.74 146.08 26.97 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.206 0.527 . . . . 75.34 110.068 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.486 HG22 ' HD2' ' A' ' 30' ' ' ARG . 3.3 mp -109.64 142.14 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.835 0.854 . . . . 74.12 109.285 -174.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.441 HD22 HG21 ' A' ' 22' ' ' VAL . 8.0 tt -97.47 117.15 31.08 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 123.397 0.679 . . . . 73.32 109.222 175.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.545 HG22 ' SD ' ' A' ' 67' ' ' MET . 31.6 mm -98.38 133.88 39.02 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 123.96 0.904 . . . . 72.23 109.054 178.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 56.8 mt -111.02 149.17 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 107.163 -1.421 . . . . 73.13 107.163 167.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.3 t -143.3 131.72 22.21 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.47 1.108 . . . . 73.11 108.238 174.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -94.18 17.35 12.78 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.047 0.939 . . . . 71.42 111.038 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -154.25 145.26 22.7 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.797 0.839 . . . . 73.1 110.216 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -82.72 -27.39 31.19 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.991 0.916 . . . . 73.23 112.679 -172.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -71.93 -32.15 67.06 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 109.181 -0.674 . . . . 75.42 109.181 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.446 HD13 HG11 ' A' ' 32' ' ' VAL . 68.2 mt -65.26 -37.64 87.84 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 115.218 -0.901 . . . . 74.34 110.431 175.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.554 HD11 ' HB2' ' A' ' 8' ' ' ASN . 89.9 mt -57.38 -56.38 22.6 Favored 'General case' 0 C--N 1.366 1.289 0 O-C-N 124.079 0.862 . . . . 73.23 109.813 175.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -47.77 -53.16 16.15 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.169 1.388 . . . . 75.23 111.836 -173.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -62.33 -50.7 70.58 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 124.445 1.091 . . . . 74.3 111.754 178.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.545 ' SD ' HG22 ' A' ' 56' ' ' ILE . 24.0 ttm -62.03 -40.28 95.16 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.093 0.957 . . . . 73.02 111.456 -173.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.442 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 76.9 mt -54.69 -42.81 71.87 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.982 1.313 . . . . 73.34 111.373 177.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -75.78 -30.09 58.99 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.024 -0.989 . . . . 70.02 111.221 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.58 -38.42 84.02 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.014 0.526 . . . . 75.31 110.619 174.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.427 HG12 ' HE1' ' A' ' 42' ' ' MET . 63.9 mt -72.16 -29.33 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 123.619 0.767 . . . . 73.53 110.071 176.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.8 t -68.02 -45.93 72.64 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.505 -0.771 . . . . 63.24 110.36 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -25.13 63.18 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.24 0.216 . . . . 75.11 111.341 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.86 -47.13 66.7 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 109.424 -0.584 . . . . 75.51 109.424 171.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.9 70.32 0.99 Allowed Glycine 0 C--N 1.344 1.01 0 CA-C-N 115.719 -0.673 . . . . 73.23 112.277 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -135.04 160.3 38.77 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.064 0.945 . . . . 73.22 109.443 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -73.15 115.09 12.07 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.367 -0.975 . . . . 71.1 108.367 171.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.2 t -97.18 115.67 37.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 123.408 0.683 . . . . 72.22 109.746 -173.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -104.65 143.09 33.55 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 107.666 -1.235 . . . . 75.11 107.666 172.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.524 HD11 HD12 ' A' ' 64' ' ' LEU . 61.4 tp -140.31 97.37 3.21 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.368 0.667 . . . . 74.31 109.625 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.486 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 40.7 tp -91.51 114.3 26.79 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 107.615 -1.254 . . . . 64.31 107.615 173.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 pp -120.81 146.97 45.98 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.35 0.523 . . . . 73.02 111.515 -175.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.412 ' HB3' HG22 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -147.22 157.73 43.7 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 123.988 0.915 . . . . 75.52 109.469 174.544 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -161.12 174.57 13.5 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 114.424 -1.262 . . . . 74.4 108.099 176.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -62.4 -28.43 69.78 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.076 1.35 . . . . 75.13 111.608 174.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -129.13 134.81 48.21 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.019 0.927 . . . . 74.04 111.11 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.513 ' HA ' HD13 ' A' ' 90' ' ' LEU . 34.0 tt0 -81.92 -16.29 51.05 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.595 1.158 . . . . 73.13 112.411 -174.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -62.15 -48.58 79.46 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 122.943 0.497 . . . . 72.2 110.782 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -70.17 -22.04 63.0 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.328 -0.851 . . . . 71.04 111.296 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 87' ' ' GLU . 90.7 mt -82.4 -38.63 23.82 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.017 0.927 . . . . 72.01 112.09 -179.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.04 -35.44 64.33 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 110.008 -0.367 . . . . 71.21 110.008 -176.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 16.3 pt-20 -74.61 -37.61 62.79 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 116.002 -0.545 . . . . 74.14 110.406 177.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.529 ' O ' HG12 ' A' ' 97' ' ' ILE . 12.4 t80 -62.45 -51.76 66.24 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 108.919 -0.771 . . . . 62.25 108.919 176.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -54.06 -47.43 71.66 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.196 0.998 . . . . 72.31 111.709 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -69.09 -20.18 64.07 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 112.359 0.503 . . . . 75.33 112.359 -173.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 70.5 mmtt -71.6 -47.86 51.94 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.737 0.78 . . . . 74.42 109.307 169.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 93' ' ' PHE . 33.3 mm -69.43 -27.02 32.65 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.096 0 CA-C-N 114.291 -1.322 . . . . 74.21 111.474 -173.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -53.75 -45.05 70.44 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.319 1.047 . . . . 74.21 111.156 167.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.2 t -72.99 -19.55 61.19 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.779 0.831 . . . . 73.4 111.455 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -79.7 -19.99 47.58 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.105 0.562 . . . . 62.42 110.861 173.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.65 24.55 42.03 Favored Glycine 0 C--N 1.351 1.394 0 CA-C-N 115.988 -0.551 . . . . 73.12 112.875 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.505 ' HB2' HG23 ' A' ' 97' ' ' ILE . 11.1 m-30 -97.28 148.07 23.5 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.875 0.47 . . . . 72.5 109.832 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -78.07 88.22 4.2 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.471 0.653 . . . . 75.52 109.702 177.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.413 HG13 ' HB ' ' A' ' 97' ' ' ILE . 2.8 p -105.77 121.31 57.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-O 121.618 0.723 . . . . 74.43 110.502 -176.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -109.92 138.06 46.83 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 124.592 1.157 . . . . 74.35 109.394 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -111.99 129.83 56.06 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 123.595 0.758 . . . . 75.25 110.359 -175.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.412 HG22 ' HB3' ' A' ' 83' ' ' GLN . 32.7 m -138.37 175.09 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 108.063 -1.088 . . . . 74.34 108.063 173.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.1 m -141.42 -39.8 0.39 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.159 0.584 . . . . 62.05 109.76 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.445 ' HB3' ' HG3' ' A' ' 112' ' ' GLU . 13.7 t70 -86.13 156.01 20.53 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.33 -0.85 . . . . 72.31 110.509 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -53.79 -53.94 45.22 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.591 1.556 . . . . 71.13 111.962 177.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 9.8 pt-20 -63.2 -39.39 94.51 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 115.648 -0.705 . . . . 73.25 110.899 -174.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.445 ' HG3' ' HB3' ' A' ' 109' ' ' ASP . 61.5 mt-10 -61.77 -36.22 80.42 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 123.932 0.893 . . . . 73.23 111.397 -176.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.11 -47.89 82.59 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.656 -0.702 . . . . 64.12 110.465 176.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 74.0 mt -69.29 -25.28 64.16 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.502 0.721 . . . . 73.03 111.327 -176.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 111' ' ' GLU . 29.7 mmmt -60.06 -54.85 41.04 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.469 0.708 . . . . 73.14 109.822 173.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.531 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 12.1 mt -77.75 -23.57 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 115.374 -0.83 . . . . 64.24 111.875 -173.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 113' ' ' ALA . 78.2 t -56.46 -47.12 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 N-CA-C 109.35 -0.611 . . . . 74.1 109.35 168.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -71.08 -42.36 69.48 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 116.296 -0.411 . . . . 73.12 111.201 177.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.617 ' HB3' ' HE2' ' A' ' 123' ' ' LYS . 40.2 mt-10 -57.67 -37.05 72.74 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.085 0.554 . . . . 74.33 111.697 177.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -56.74 -41.26 77.23 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.873 0.469 . . . . 72.22 110.679 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.41 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 14.6 mmt -62.08 -23.88 66.77 Favored 'General case' 0 CA--C 1.553 1.074 0 O-C-N 123.921 0.763 . . . . 75.23 111.886 -174.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -98.65 -33.85 10.79 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 122.8 0.44 . . . . 75.53 111.998 173.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.617 ' HE2' ' HB3' ' A' ' 119' ' ' GLU . 53.7 mttm -69.74 -22.46 63.37 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 122.867 0.467 . . . . 74.51 110.769 179.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.414 ' HB2' ' HZ3' ' A' ' 53' ' ' LYS . . . -80.85 -8.2 59.65 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.656 0.783 . . . . 75.33 111.019 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -70.5 72.7 0.62 Allowed Glycine 0 C--N 1.355 1.619 0 N-CA-C 109.27 -1.532 . . . . 70.34 109.27 165.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.8 m -59.35 124.1 18.92 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 124.654 1.182 . . . . 74.44 112.242 -163.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.17 87.02 1.91 Allowed 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 104.578 -2.378 . . . . 72.42 104.578 163.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -52.23 102.54 0.05 Allowed 'General case' 0 CA--C 1.549 0.929 0 O-C-N 125.172 1.545 . . . . 73.15 112.502 -164.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -78.67 165.11 24.01 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 114.62 -1.173 . . . . 74.21 109.125 -177.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 59.55 24.76 13.52 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 125.732 1.613 . . . . 74.14 113.345 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -95.24 25.38 4.35 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.127 0.571 . . . . 75.22 110.934 170.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 65.6 m170 -86.22 51.41 2.21 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 107.832 -1.173 . . . . 72.45 107.832 164.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -170.81 111.54 0.38 Allowed 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 105.819 -1.919 . . . . 73.21 105.819 -165.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 118.826 -0.607 . . . . 72.33 111.444 -169.244 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 110.673 -0.121 . . . . 74.4 110.673 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -117.47 121.81 42.03 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 106.686 -1.598 . . . . 74.24 106.686 161.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 1.9 mp0 -99.53 137.39 38.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.127 0.571 . . . . 72.12 110.007 -178.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.441 HD21 HG21 ' A' ' 71' ' ' ILE . 3.8 mm? -118.04 113.11 21.15 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.36 -1.348 . . . . 75.35 107.36 173.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 tt -103.27 118.6 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 108.73 -0.841 . . . . 74.34 108.73 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 6' ' ' LEU . 3.9 mp -102.26 118.81 37.68 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.682 -0.859 . . . . 75.21 108.682 -176.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.665 HG21 HD12 ' A' ' 18' ' ' ILE . 2.2 mp -100.44 121.53 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 107.855 -1.165 . . . . 72.0 107.855 176.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.527 ' HB2' HD12 ' A' ' 64' ' ' LEU . 3.8 t-20 -111.13 112.05 23.57 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.295 -0.631 . . . . 73.24 109.295 173.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.2 t -146.96 135.4 21.86 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.135 -0.691 . . . . 71.45 109.135 165.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -76.58 -23.17 53.5 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.391 0.676 . . . . 74.4 109.793 173.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -68.56 93.26 0.49 Allowed 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 108.583 -0.895 . . . . 74.35 108.583 -178.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -61.3 -30.86 70.75 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.301 1.04 . . . . 71.41 112.379 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.52 -42.5 99.55 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.997 0.919 . . . . 72.45 109.521 176.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.482 HD11 ' HB3' ' A' ' 110' ' ' ASP . 67.5 tp -69.7 -41.78 74.94 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 115.027 -0.988 . . . . 72.31 110.812 176.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.507 HG23 ' HE3' ' A' ' 19' ' ' LYS . 67.2 mt -53.23 -42.0 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 123.678 0.611 . . . . 75.25 110.087 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.582 ' HZ3' ' HB3' ' A' ' 16' ' ' LYS . 9.4 mtpm? -61.9 -42.7 99.39 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 124.221 0.95 . . . . 75.42 111.614 177.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -64.51 -43.09 95.19 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.911 0.484 . . . . 73.54 110.392 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.665 HD12 HG21 ' A' ' 7' ' ' ILE . 82.7 mt -61.9 -40.57 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 124.37 1.044 . . . . 75.34 109.587 178.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.649 ' HG2' HG11 ' A' ' 29' ' ' VAL . 98.9 mttt -53.79 -56.18 19.81 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 124.081 0.863 . . . . 74.13 109.493 175.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -70.82 -21.05 62.51 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 112.677 0.621 . . . . 74.54 112.677 -172.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -64.31 -58.58 6.12 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 108.966 -0.753 . . . . 71.12 108.966 167.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.438 HG11 ' HB2' ' A' ' 27' ' ' TYR . 90.4 t -68.13 -33.97 63.96 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 CA-C-N 114.068 -1.424 . . . . 70.54 111.845 -170.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.48 -40.34 92.99 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.972 0.909 . . . . 71.21 109.84 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.77 -22.22 46.72 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.398 0.679 . . . . 72.22 111.051 -179.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -87.89 -6.18 58.2 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.181 0.592 . . . . 74.21 111.369 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.0 6.43 66.98 Favored Glycine 0 C--N 1.348 1.202 0 N-CA-C 114.224 0.45 . . . . 72.42 114.224 170.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.438 ' HB2' HG11 ' A' ' 22' ' ' VAL . 2.4 m-85 -93.24 144.62 25.12 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.746 0.818 . . . . 75.03 109.301 177.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -76.86 133.15 39.4 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.581 -0.526 . . . . 74.14 109.581 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.649 HG11 ' HG2' ' A' ' 19' ' ' LYS . 20.1 t -96.1 108.84 21.78 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 N-CA-C 108.765 -0.828 . . . . 75.41 108.765 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.508 ' HB3' ' HA ' ' A' ' 56' ' ' ILE . 11.4 tpp180 -90.5 142.84 27.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.857 -1.164 . . . . 74.24 107.857 171.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -125.98 137.86 53.71 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.018 -0.734 . . . . 64.43 109.018 169.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.563 HG12 HD13 ' A' ' 63' ' ' LEU . 98.8 t -127.58 119.32 51.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 107.689 -1.226 . . . . 74.01 107.689 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -110.21 -16.6 13.72 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.134 0.974 . . . . 75.25 109.341 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -148.2 160.15 43.22 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.094 0.958 . . . . 64.43 109.472 -176.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m -59.64 -22.59 62.09 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.637 1.175 . . . . 64.23 112.694 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -68.88 -36.36 77.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.868 0.867 . . . . 75.15 110.41 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -80.83 -23.51 39.12 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 114.78 -1.1 . . . . 75.24 112.682 -169.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.477 ' HB3' HG13 ' A' ' 32' ' ' VAL . 4.5 pp -80.35 -47.27 14.73 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.39 0.138 . . . . 74.42 110.731 177.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -70.14 -25.6 63.54 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.937 0.495 . . . . 73.42 112.246 -171.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -71.72 -40.76 69.24 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 122.768 0.427 . . . . 74.24 111.138 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -85.44 -28.23 25.2 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 115.996 -0.547 . . . . 71.21 110.197 -177.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.41 ' SD ' HD12 ' A' ' 45' ' ' LEU . 11.2 mmt -63.38 -32.03 73.34 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.065 0.946 . . . . 74.3 111.358 174.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -64.16 -50.11 69.46 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 115.884 -0.598 . . . . 74.34 109.666 169.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -60.01 -28.28 67.58 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.738 0.815 . . . . 74.01 112.371 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.608 ' HA ' ' HZ ' ' A' ' 51' ' ' PHE . 84.0 mt -62.17 -42.55 99.37 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.589 0.356 . . . . 72.4 110.558 174.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.53 -42.19 43.99 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.634 0.774 . . . . 72.52 111.732 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -71.77 -46.54 58.07 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.948 0.899 . . . . 75.15 112.117 -169.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.477 ' HB2' ' CE1' ' A' ' 51' ' ' PHE . 40.1 mm-40 -68.48 128.49 36.8 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 109.152 -0.684 . . . . 60.05 109.152 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -65.33 -54.38 29.75 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.366 1.066 . . . . 63.42 112.607 -167.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -143.5 119.5 10.68 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.082 0.553 . . . . 74.41 110.102 -175.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.608 ' HZ ' ' HA ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -166.37 171.16 12.29 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 124.234 1.014 . . . . 74.53 110.087 174.758 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.46 -168.11 1.87 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.04 0.936 . . . . 74.02 112.246 -173.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -97.07 134.05 40.93 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.497 1.119 . . . . 75.02 110.935 -170.386 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.6 mp -106.87 141.78 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 N-CA-C 109.064 -0.717 . . . . 75.52 109.064 -172.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 tt -90.83 118.91 30.62 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.828 -0.804 . . . . 75.1 108.828 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.508 ' HA ' ' HB3' ' A' ' 30' ' ' ARG . 22.3 mm -98.18 137.15 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 N-CA-C 108.881 -0.785 . . . . 73.33 108.881 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.0 mt -117.54 140.87 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 107.764 -1.199 . . . . 71.14 107.764 167.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.2 t -137.29 152.32 49.65 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.531 1.133 . . . . 75.03 109.163 174.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -95.38 -15.38 23.08 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.394 0.678 . . . . 74.53 110.906 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.473 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 17.6 t70 -129.76 143.78 50.98 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.355 0.662 . . . . 75.12 110.814 -170.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -77.73 -31.93 52.5 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.272 1.029 . . . . 74.34 113.0 -174.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.403 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 84.0 mm-40 -72.74 -21.94 60.94 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 110.453 -0.203 . . . . 74.04 110.453 177.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.563 HD13 HG12 ' A' ' 32' ' ' VAL . 71.9 mt -70.1 -44.42 69.07 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 122.976 0.51 . . . . 73.24 109.745 170.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.572 HD13 HD13 ' A' ' 80' ' ' LEU . 71.5 mt -54.69 -51.26 66.09 Favored 'General case' 0 C--N 1.368 1.393 0 O-C-N 124.115 0.884 . . . . 64.11 109.445 176.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -52.53 -49.5 64.75 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 125.201 1.563 . . . . 74.34 111.482 -172.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 5.7 mm-40 -66.54 -41.32 88.91 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 123.703 0.627 . . . . 65.31 111.18 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 69.5 mtm -63.16 -45.88 89.77 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 118.842 -0.599 . . . . 74.2 111.872 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 67.2 mt -52.47 -37.13 56.41 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.914 0.885 . . . . 73.5 111.201 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -75.87 -38.64 57.72 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 114.761 -1.109 . . . . 75.35 111.078 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.456 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 90.2 mt -61.89 -52.04 65.71 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.507 0.723 . . . . 74.12 110.647 176.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.441 HG21 HD21 ' A' ' 4' ' ' LEU . 33.1 mt -55.14 -41.67 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 124.792 1.237 . . . . 75.23 110.711 177.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.4 t -65.05 -43.83 91.0 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 114.835 -1.075 . . . . 64.41 111.099 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -16.56 56.26 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.638 0.375 . . . . 61.45 111.596 -179.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 95.9 mt -74.76 -31.11 61.69 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.567 -0.531 . . . . 74.21 109.567 169.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.45 25.25 12.44 Favored Glycine 0 C--N 1.343 0.951 0 CA-C-N 115.565 -0.743 . . . . 72.45 111.752 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.422 ' HE2' ' HB3' ' A' ' 45' ' ' LEU . 23.0 m-30 -99.7 159.18 15.24 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.424 1.09 . . . . 70.11 110.868 178.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -73.76 122.55 22.58 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.856 0.723 . . . . 71.22 109.878 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.5 t -90.53 120.69 39.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 123.466 0.707 . . . . 73.53 109.819 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -130.35 131.74 45.5 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 107.404 -1.332 . . . . 75.32 107.404 171.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.572 HD13 HD13 ' A' ' 64' ' ' LEU . 41.2 tp -122.94 143.12 50.11 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.051 -1.092 . . . . 70.11 108.051 178.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 39.7 tp -145.48 113.93 6.7 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 106.793 -1.558 . . . . 73.34 106.793 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.74 137.93 53.84 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.97 0.891 . . . . 72.5 111.2 -176.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.471 ' HG2' ' HA ' ' A' ' 110' ' ' ASP . 0.5 OUTLIER -142.09 129.67 21.43 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 126.079 1.751 . . . . 75.02 107.397 -179.478 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.426 ' H ' HD13 ' A' ' 90' ' ' LEU . 8.0 m-20 -156.49 159.3 38.49 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.778 -1.193 . . . . 64.35 107.778 177.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -76.29 -22.71 54.73 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.471 -0.786 . . . . 72.22 109.683 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -90.86 92.48 8.8 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 123.661 0.784 . . . . 65.1 108.89 169.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -75.96 -24.26 55.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.987 0.515 . . . . 75.45 111.418 -177.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -62.2 -37.18 84.32 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.599 0.359 . . . . 73.4 111.188 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.57 -27.02 55.7 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.783 0.433 . . . . 75.44 111.212 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.426 HD13 ' H ' ' A' ' 84' ' ' ASP . 94.9 mt -67.36 -51.9 46.61 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.075 0.55 . . . . 74.4 110.813 176.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.88 -39.8 79.57 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.863 0.865 . . . . 71.24 111.802 -170.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 14.1 pt-20 -71.8 -36.08 70.17 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 122.787 0.435 . . . . 72.4 110.958 -176.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -74.81 -41.35 60.12 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.319 0.648 . . . . 75.42 110.215 176.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.421 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 25.8 ttpt -55.45 -51.16 67.84 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.827 0.851 . . . . 74.43 111.721 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -61.34 -26.46 67.83 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 124.164 0.915 . . . . 73.42 111.937 -175.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 33.3 mmtp -70.65 -40.99 72.73 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.069 0.548 . . . . 73.2 110.061 175.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 26.0 mm -69.03 -36.57 74.45 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 123.614 0.766 . . . . 72.24 110.122 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.24 -38.64 87.38 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.61 0.764 . . . . 75.13 110.832 171.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.0 t -68.35 -34.82 76.78 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.569 0.747 . . . . 75.11 110.318 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 82.7 mm-40 -72.18 -14.21 61.75 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.342 0.657 . . . . 73.22 110.831 175.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.53 7.05 72.67 Favored Glycine 0 C--N 1.35 1.318 0 C-N-CA 123.156 0.407 . . . . 71.42 113.14 175.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -85.96 149.52 25.13 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 123.06 0.544 . . . . 71.13 110.237 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -74.65 121.72 22.09 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-N 115.623 -0.717 . . . . 74.32 109.829 178.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.0 p -138.37 133.74 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 C-N-CA 123.905 0.882 . . . . 75.22 110.306 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -120.07 120.06 35.15 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.119 0.968 . . . . 75.02 109.622 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.421 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -105.58 135.44 46.98 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.862 -0.792 . . . . 75.5 108.862 178.474 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.481 ' HB ' ' HB2' ' A' ' 112' ' ' GLU . 27.4 m -133.0 148.26 31.43 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 C-N-CA 123.819 0.848 . . . . 73.1 109.68 178.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 m -81.02 -42.9 20.38 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.388 0.613 . . . . 73.44 109.745 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.464 ' HB3' ' HG3' ' A' ' 112' ' ' GLU . 4.3 t70 -101.09 151.33 21.94 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 114.953 -1.021 . . . . 73.44 111.241 -173.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.482 ' HB3' HD11 ' A' ' 14' ' ' LEU . 3.2 m-20 -64.54 -32.87 74.7 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 113.303 -1.771 . . . . 71.25 111.756 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.48 -32.5 68.33 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.578 0.751 . . . . 64.24 111.58 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.481 ' HB2' ' HB ' ' A' ' 107' ' ' VAL . 37.8 mt-10 -70.03 -31.13 68.62 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.029 0.532 . . . . 74.1 110.32 -178.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.438 ' O ' HG22 ' A' ' 117' ' ' VAL . . . -62.05 -44.08 97.46 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.761 -0.654 . . . . 63.24 110.47 172.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 70.6 mt -65.27 -32.42 74.08 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.045 0.938 . . . . 72.14 110.667 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -66.12 -48.19 71.69 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.753 -1.112 . . . . 75.03 110.488 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 60.3 mt -71.94 -27.15 26.69 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 C-N-CA 123.874 0.869 . . . . 73.45 111.613 -175.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 113' ' ' ALA . 67.7 t -56.62 -44.2 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 122.977 0.511 . . . . 73.13 110.494 173.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -71.39 -44.08 65.63 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.33 0.652 . . . . 61.0 110.914 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -59.94 -37.72 80.35 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.539 0.736 . . . . 73.32 112.22 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -50.67 -48.8 58.35 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.006 0.923 . . . . 65.12 111.554 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.7 mtt -64.16 -24.83 67.83 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 114.88 -1.055 . . . . 73.32 113.047 -170.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -99.2 -31.74 11.58 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.602 0.761 . . . . 73.25 111.736 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -83.77 -60.79 2.01 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.683 0.793 . . . . 74.4 111.041 -175.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.431 ' HB1' ' HG2' ' A' ' 3' ' ' GLU . . . -64.29 -27.78 69.27 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.8 0.84 . . . . 55.24 111.664 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.44 -0.96 26.35 Favored Glycine 0 C--N 1.356 1.651 0 O-C-N 124.155 0.91 . . . . 65.53 113.884 174.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.4 m 65.57 14.7 9.65 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 125.529 1.532 . . . . 72.23 112.615 170.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 52.6 tp -131.96 77.42 1.76 Allowed 'General case' 0 C--O 1.236 0.394 0 N-CA-C 107.619 -1.252 . . . . 75.13 107.619 -175.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.95 149.37 26.36 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 114.071 -1.422 . . . . 74.04 109.69 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 53.89 85.47 0.05 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.717 1.207 . . . . 74.42 110.372 -178.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -69.98 107.68 3.71 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.471 0.653 . . . . 73.12 110.979 -170.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -110.85 138.82 46.77 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.107 1.363 . . . . 73.34 110.086 -169.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 37.2 m80 61.91 21.9 12.64 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 124.851 1.26 . . . . 74.53 110.639 -164.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 66.51 17.61 10.67 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 125.027 1.331 . . . . 70.4 110.516 -173.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 54.8 t60 . . . . . 0 C--O 1.256 1.443 0 C-N-CA 124.854 1.262 . . . . 75.34 108.308 176.916 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.503 ' HD3' HD13 ' A' ' 54' ' ' ILE . 23.2 ttmm . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 108.69 -0.856 . . . . 71.45 108.69 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.444 ' HG2' ' HD2' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -110.08 145.27 37.39 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.627 0.771 . . . . 74.52 109.074 -176.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.412 HD11 HD13 ' A' ' 45' ' ' LEU . 4.4 mm? -126.84 115.02 18.69 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.595 1.158 . . . . 75.53 109.11 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.0 tt -110.36 123.29 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 109.136 -0.69 . . . . 73.11 109.136 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.493 ' HB3' HD22 ' A' ' 64' ' ' LEU . 5.9 mp -103.36 120.18 40.3 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.132 0.973 . . . . 75.53 108.436 -178.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.485 HG21 HD13 ' A' ' 18' ' ' ILE . 2.0 mp -100.56 135.02 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 108.319 -0.993 . . . . 62.14 108.319 175.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -116.05 108.98 16.89 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 107.959 -1.126 . . . . 74.33 107.959 173.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 t -147.66 137.29 22.64 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 122.779 0.432 . . . . 62.11 109.912 171.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -92.36 -7.3 48.18 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.334 0.654 . . . . 55.34 110.891 172.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -80.21 97.2 6.83 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 109.23 -0.656 . . . . 44.34 109.23 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -44.51 -48.57 10.16 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.578 1.551 . . . . 63.04 112.96 178.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.25 -36.04 82.91 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.001 -0.999 . . . . 75.41 111.013 -175.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.589 HD13 ' HB2' ' A' ' 110' ' ' ASP . 49.5 tp -68.0 -42.15 81.15 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 119.311 -0.376 . . . . 73.32 110.338 176.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.577 HG23 HG21 ' A' ' 57' ' ' ILE . 73.3 mt -51.56 -45.37 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 123.375 0.67 . . . . 64.55 110.601 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -67.99 -38.19 82.37 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.679 -0.691 . . . . 73.22 112.071 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HE2' HD11 ' A' ' 114' ' ' LEU . 57.3 mtpt -63.42 -38.01 89.49 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 122.946 0.498 . . . . 74.44 110.925 177.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.58 ' O ' HG23 ' A' ' 22' ' ' VAL . 87.2 mt -63.83 -49.79 80.41 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 108.452 -0.944 . . . . 70.22 108.452 177.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.555 ' HE3' HG22 ' A' ' 15' ' ' ILE . 95.5 mttt -52.76 -42.69 65.21 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 124.053 0.845 . . . . 72.51 111.346 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -57.61 -51.13 70.74 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 123.916 0.76 . . . . 62.35 110.445 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 33.3 mm-40 -56.92 -43.61 81.6 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 124.007 0.817 . . . . 74.11 111.776 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.586 HG13 ' HB2' ' A' ' 27' ' ' TYR . 58.8 t -69.51 -33.35 56.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.999 0.919 . . . . 72.0 110.622 -175.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 15.3 mm-40 -73.01 -30.15 63.55 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.204 0.602 . . . . 74.11 110.892 174.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -69.01 -35.25 76.45 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.264 0.626 . . . . 74.14 110.197 176.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 61.5 mm-40 -85.67 -26.59 25.87 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.815 -0.63 . . . . 60.0 110.948 -178.234 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.44 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . 98.2 8.69 54.89 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 115.818 -0.628 . . . . 65.35 113.683 178.026 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.586 ' HB2' HG13 ' A' ' 22' ' ' VAL . 2.0 m-85 -76.57 162.47 27.74 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 117.374 0.587 . . . . 62.43 110.384 178.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.604 ' HB2' HG13 ' A' ' 54' ' ' ILE . 19.7 mm-40 -94.54 112.82 24.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.106 0.562 . . . . 72.34 109.984 -173.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.509 HG11 ' HG2' ' A' ' 19' ' ' LYS . 34.8 t -79.72 124.36 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 C-N-CA 122.847 0.459 . . . . 70.43 109.878 176.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -131.68 128.57 39.27 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.611 -0.885 . . . . 75.2 108.611 167.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -92.93 135.95 33.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.198 0.999 . . . . 73.14 109.857 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.525 HG11 ' HB3' ' A' ' 38' ' ' LEU . 92.1 t -126.79 119.23 52.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 N-CA-C 107.762 -1.199 . . . . 61.45 107.762 171.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -135.68 15.81 3.37 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.047 0.939 . . . . 60.11 109.185 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.405 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 20.4 t70 -152.37 146.01 25.01 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 124.27 1.028 . . . . 74.42 108.837 -173.488 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.7 p -71.88 -26.2 62.25 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.822 0.849 . . . . 61.2 112.532 -172.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 30.1 t70 -83.26 -31.11 27.12 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.881 0.473 . . . . 73.52 110.444 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.474 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 41.0 mm-40 -63.19 -38.35 90.81 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.555 0.576 . . . . 64.41 112.555 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.525 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.5 pp -65.83 -39.67 91.03 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 111.772 0.286 . . . . 75.25 111.772 -175.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 16.7 ptpt -75.25 -24.34 57.62 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.75 0.42 . . . . 72.22 110.72 -176.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' ' 37' ' ' GLU . 57.9 mtpt -65.77 -52.83 47.68 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 108.53 -0.915 . . . . 73.44 108.53 168.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.544 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 41.0 mm-40 -57.9 -44.0 86.47 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 115.58 -0.736 . . . . 74.12 112.129 -176.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.449 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 33.9 mmt -55.14 -35.41 64.68 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.091 0.556 . . . . 73.45 111.841 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -75.73 -42.19 51.35 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.787 -0.642 . . . . 73.41 110.278 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.438 ' N ' ' HE2' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -57.82 -41.14 81.6 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.248 0.619 . . . . 73.43 110.382 178.778 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 64.1 mt -65.29 -40.06 93.37 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.332 1.053 . . . . 73.2 111.06 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.46 -39.92 70.66 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.589 -0.732 . . . . 73.45 111.239 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -72.82 -35.66 67.35 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.605 0.762 . . . . 73.42 111.366 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -105.45 111.63 24.41 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.265 0.626 . . . . 73.04 109.788 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -97.16 -66.7 0.89 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.243 0.617 . . . . 64.51 110.227 -173.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -81.97 83.35 7.28 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 115.194 -0.912 . . . . 65.34 110.868 -171.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.467 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 2.2 p90 -167.32 -178.56 4.1 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 125.064 1.346 . . . . 75.33 107.608 166.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 27' ' ' TYR . 10.3 tp10 -54.5 151.35 7.93 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.471 1.108 . . . . 75.12 112.816 -175.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.444 ' HD2' ' HG2' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -75.34 147.26 40.25 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.327 0.651 . . . . 44.52 110.609 174.594 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.604 HG13 ' HB2' ' A' ' 28' ' ' GLN . 2.0 mp -102.32 144.2 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 115.501 -0.772 . . . . 55.02 110.941 -165.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.581 HD22 HG21 ' A' ' 22' ' ' VAL . 6.1 tt -113.83 116.46 29.36 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.842 1.257 . . . . 65.2 108.028 173.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 30.5 mm -98.15 129.67 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.213 -1.032 . . . . 45.21 108.213 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.577 HG21 HG23 ' A' ' 15' ' ' ILE . 56.3 mt -109.45 139.3 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 108.591 -0.892 . . . . 63.42 108.591 170.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.541 ' HB3' HD21 ' A' ' 64' ' ' LEU . 32.4 t -149.5 163.59 37.38 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.957 0.903 . . . . 72.11 109.652 174.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -113.7 -13.89 12.64 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.201 1.0 . . . . 73.15 110.711 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -113.62 132.78 55.62 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.955 0.902 . . . . 71.33 110.017 -172.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -75.12 -33.28 61.57 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.386 1.074 . . . . 62.02 112.448 -174.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -64.51 -33.7 76.5 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.696 0.622 . . . . 74.55 109.929 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.484 HD13 HG12 ' A' ' 32' ' ' VAL . 35.5 mt -66.01 -56.45 11.54 Favored 'General case' 0 C--N 1.356 0.855 0 O-C-N 124.228 0.955 . . . . 42.04 109.499 176.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 58' ' ' SER . 73.7 mt -53.88 -44.29 70.33 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 114.631 -1.168 . . . . 73.41 111.506 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -62.75 -35.45 79.83 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 124.702 1.251 . . . . 74.14 110.789 -175.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.78 -54.99 34.88 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 123.522 0.514 . . . . 74.31 110.325 169.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.506 ' SD ' ' HB2' ' A' ' 38' ' ' LEU . 3.3 mpp? -63.27 -33.06 74.68 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.944 0.72 . . . . 50.3 112.944 -173.105 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 86.1 mt -55.81 -38.02 69.42 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 122.979 0.512 . . . . 64.12 110.913 175.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -82.81 -39.4 21.79 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.044 0.938 . . . . 74.42 111.777 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.4 HD13 ' HG3' ' A' ' 42' ' ' MET . 96.7 mt -67.12 -51.07 58.66 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.633 0.773 . . . . 75.21 110.979 -175.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.09 -31.41 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 124.743 1.217 . . . . 64.34 110.922 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.2 t -68.29 -29.26 67.99 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.494 0.717 . . . . 52.11 111.124 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -77.95 -40.43 39.45 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.857 0.863 . . . . 74.2 110.642 172.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.6 -26.27 68.61 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-N 115.048 -0.978 . . . . 74.01 110.938 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.58 53.01 2.85 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.62 0.575 . . . . 72.24 112.751 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -127.24 168.56 14.56 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.623 0.769 . . . . 70.51 109.824 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -73.29 115.88 13.17 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 108.495 -0.928 . . . . 73.11 108.495 172.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 44.3 t -89.85 137.76 20.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 N-CA-C 108.17 -1.048 . . . . 71.24 108.17 174.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -143.6 141.43 30.63 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 107.187 -1.412 . . . . 74.34 107.187 173.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.432 HD22 HD11 ' A' ' 68' ' ' LEU . 42.2 tp -129.35 139.52 51.69 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 108.565 -0.902 . . . . 63.31 108.565 177.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.0 tp -142.24 126.64 17.72 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 106.142 -1.799 . . . . 61.15 106.142 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 pp -137.26 145.08 43.11 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.234 0.54 . . . . 50.53 111.19 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -156.17 142.1 18.05 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 107.395 -1.335 . . . . 73.22 107.395 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.465 ' H ' HD11 ' A' ' 90' ' ' LEU . 34.1 t70 -165.05 167.28 18.5 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 109.459 -0.571 . . . . 70.22 109.459 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -66.02 -29.48 69.85 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.0 1.32 . . . . 74.1 110.667 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -95.42 99.02 10.99 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.12 0.968 . . . . 70.55 110.302 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -63.68 -36.7 84.72 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.475 0.71 . . . . 73.23 111.14 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -59.79 -39.12 83.89 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.007 0.923 . . . . 71.02 110.573 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -72.93 -30.45 63.89 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.733 -0.667 . . . . 71.23 111.934 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.465 HD11 ' H ' ' A' ' 84' ' ' ASP . 96.5 mt -68.32 -52.02 38.15 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.138 0.575 . . . . 65.23 111.081 178.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.31 -36.79 82.23 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.729 0.812 . . . . 65.31 112.56 -174.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -71.35 -34.36 70.42 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.308 0.243 . . . . 71.3 111.462 -177.617 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.438 ' O ' HG12 ' A' ' 97' ' ' ILE . 34.7 t80 -71.57 -48.33 49.14 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.84 0.456 . . . . 63.44 110.151 173.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.53 ' HD2' ' HB2' ' A' ' 106' ' ' LYS . 55.3 tttm -58.84 -46.08 88.56 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.903 0.881 . . . . 73.13 112.44 -174.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -59.61 -31.19 69.25 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 122.848 0.459 . . . . 70.44 112.026 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 2.2 mmmp? -72.15 -40.11 68.26 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.47 0.708 . . . . 65.1 109.982 177.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.453 HG22 ' HB2' ' A' ' 102' ' ' TYR . 31.1 mm -69.65 -33.73 57.98 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.152 0 C-N-CA 123.718 0.807 . . . . 73.32 110.709 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.94 -32.85 73.58 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.539 0.736 . . . . 71.14 111.059 171.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.3 t -72.42 -23.61 61.11 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.348 0.659 . . . . 74.43 110.739 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 78.3 mt-30 -80.31 -20.5 44.16 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.533 0.733 . . . . 63.4 110.319 170.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.59 38.6 8.1 Favored Glycine 0 C--N 1.357 1.699 0 C-N-CA 123.542 0.591 . . . . 64.34 113.113 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.453 ' HB2' HG22 ' A' ' 97' ' ' ILE . 69.5 m-85 -110.86 145.8 37.61 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.137 0.575 . . . . 74.23 110.92 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -68.58 101.77 1.34 Allowed 'General case' 0 CA--C 1.545 0.762 0 O-C-N 124.164 0.915 . . . . 72.44 109.409 171.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.4 p -124.03 131.2 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 124.609 1.164 . . . . 53.3 109.741 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -109.12 148.86 30.19 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.461 0.704 . . . . 75.14 109.313 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.53 ' HB2' ' HD2' ' A' ' 94' ' ' LYS . 28.2 ttpp -133.25 129.69 37.99 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.406 0.683 . . . . 64.4 109.659 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 32.8 m -140.96 162.37 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 123.25 0.62 . . . . 72.12 109.98 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.3 m -103.45 -52.63 2.96 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.762 0.825 . . . . 64.0 109.154 -176.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.458 ' HB3' ' HG2' ' A' ' 111' ' ' GLU . 1.9 m-20 -77.85 144.66 36.81 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 124.152 0.981 . . . . 72.14 110.245 177.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.589 ' HB2' HD13 ' A' ' 14' ' ' LEU . 1.3 p-10 -65.58 -30.14 70.83 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.196 -0.911 . . . . 42.45 110.928 177.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.458 ' HG2' ' HB3' ' A' ' 109' ' ' ASP . 15.2 pt-20 -62.54 -38.1 88.7 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.555 0.742 . . . . 73.42 111.471 -178.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.16 -38.55 85.67 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.814 0.846 . . . . 74.12 110.275 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.449 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -61.63 -42.69 99.25 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 115.289 -0.869 . . . . 72.42 110.414 175.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.417 HD11 ' HE2' ' A' ' 17' ' ' LYS . 98.0 mt -66.2 -33.79 76.56 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.692 0.797 . . . . 72.22 111.253 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -62.08 -49.72 74.83 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 123.59 0.557 . . . . 71.55 109.707 174.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 74.6 mt -70.3 -30.04 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 O-C-N 123.999 0.812 . . . . 60.53 111.452 -175.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 113' ' ' ALA . 55.2 t -59.28 -47.3 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 N-CA-C 109.372 -0.603 . . . . 74.1 109.372 170.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -70.15 -38.44 75.47 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.945 0.498 . . . . 75.33 111.433 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -59.55 -40.57 87.7 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.627 0.771 . . . . 74.43 111.718 176.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -60.12 -36.52 77.65 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 123.963 0.789 . . . . 62.13 110.659 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.505 ' HG3' ' HG3' ' A' ' 25' ' ' GLN . 22.9 mmt -57.15 -29.37 63.55 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.736 0.643 . . . . 64.33 112.736 -175.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 . . . . . 0 N--CA 1.487 1.392 0 C-N-CA 122.893 0.477 . . . . 62.51 111.271 174.873 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mttm . . . . . 0 N--CA 1.47 0.567 0 N-CA-C 108.367 -0.975 . . . . 73.43 108.367 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -96.02 108.9 21.36 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.491 -0.929 . . . . 71.24 108.491 171.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -93.93 109.39 21.11 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 107.01 -1.478 . . . . 64.41 107.01 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.0 tt -101.36 119.05 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 108.997 -0.742 . . . . 62.32 108.997 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mp -104.41 122.48 45.58 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.846 -1.168 . . . . 72.12 107.846 175.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.484 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 3.0 mp -97.71 136.05 29.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 N-CA-C 107.319 -1.363 . . . . 73.23 107.319 173.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.542 ' HB2' HD11 ' A' ' 64' ' ' LEU . 4.3 t-20 -115.37 124.61 51.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.824 -1.547 . . . . 74.32 106.824 169.29 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.446 ' HA ' ' HG3' ' A' ' 83' ' ' GLN . 1.4 t -145.69 139.76 26.78 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.029 0.443 . . . . 53.44 110.331 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -86.29 -19.26 30.14 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.329 -0.85 . . . . 63.31 109.582 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -90.37 112.01 23.45 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.226 0.611 . . . . 74.14 109.901 -176.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -58.19 -46.08 86.44 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.75 1.22 . . . . 73.31 112.355 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.31 -32.92 70.88 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.011 -0.995 . . . . 74.01 110.4 -176.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.431 ' O ' HG13 ' A' ' 18' ' ' ILE . 52.6 tp -65.26 -37.95 88.81 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 118.977 -0.535 . . . . 74.25 110.148 177.133 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.52 HG23 HG21 ' A' ' 57' ' ' ILE . 54.9 mt -50.77 -50.11 24.14 Favored 'Isoleucine or valine' 0 C--N 1.367 1.351 0 O-C-N 123.858 0.724 . . . . 75.2 109.821 173.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 62.5 mttp -67.61 -36.0 80.01 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.617 -1.174 . . . . 62.21 111.925 -175.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HE2' HD11 ' A' ' 114' ' ' LEU . 61.0 mtpt -66.57 -40.21 88.87 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.953 0.501 . . . . 74.43 110.386 176.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 22' ' ' VAL . 95.2 mt -62.12 -43.95 98.42 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 CA-C-N 115.357 -0.838 . . . . 75.01 109.255 175.104 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.476 ' HE3' HG22 ' A' ' 15' ' ' ILE . 94.9 mttt -54.0 -50.78 65.84 Favored 'General case' 0 C--N 1.358 0.97 0 O-C-N 123.942 0.776 . . . . 72.42 110.164 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 14.5 mmmm -63.19 -39.58 95.04 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 124.078 0.861 . . . . 74.2 111.666 -175.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 26.7 mm-40 -51.92 -53.42 41.26 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 121.578 0.704 . . . . 65.42 110.171 173.13 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 18' ' ' ILE . 28.1 t -76.78 -22.42 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-N 113.976 -1.466 . . . . 73.51 111.897 -170.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 64.2 mm-40 -62.04 -46.3 89.77 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.388 0.675 . . . . 73.32 109.53 171.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -73.96 -20.48 60.34 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.719 -0.673 . . . . 71.3 111.24 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 6.6 mm-40 -81.02 -16.78 52.42 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 110.394 -0.224 . . . . 72.34 110.394 173.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.8 27.95 57.78 Favored Glycine 0 C--N 1.346 1.114 0 O-C-N 123.265 0.353 . . . . 74.34 113.689 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.474 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 2.6 m-85 -96.12 166.07 11.93 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.359 0.664 . . . . 72.43 109.841 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.478 ' HB2' HG23 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -87.42 115.06 24.58 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.097 -1.075 . . . . 62.45 108.097 -179.576 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.416 HG11 ' HG2' ' A' ' 19' ' ' LYS . 17.7 t -104.58 114.2 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 122.842 0.457 . . . . 54.23 110.555 -176.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -125.91 135.68 52.18 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 108.535 -0.913 . . . . 74.51 108.535 170.202 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -114.1 116.17 28.71 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 108.366 -0.976 . . . . 73.2 108.366 172.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.646 HG12 HD13 ' A' ' 63' ' ' LEU . 79.6 t -86.76 122.21 38.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 114.901 -1.045 . . . . 63.15 109.303 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -114.24 2.79 14.92 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.552 0.741 . . . . 73.41 110.953 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -160.86 152.06 18.96 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.718 0.807 . . . . 71.52 110.056 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.7 m -62.77 -21.88 66.18 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.906 0.882 . . . . 75.43 113.19 -175.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -73.24 -26.97 61.33 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.098 0.559 . . . . 63.32 110.215 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.55 ' HB2' HG13 ' A' ' 32' ' ' VAL . 7.9 mm-40 -75.17 -47.8 26.66 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.61 0.764 . . . . 71.42 111.296 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.572 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.6 pp -64.54 -40.35 95.44 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.344 0.257 . . . . 71.54 111.546 -174.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -63.39 -30.23 71.39 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 123.35 0.406 . . . . 73.5 111.716 -174.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -55.93 -57.79 10.63 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 123.939 0.774 . . . . 63.03 110.131 176.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.1 pt-20 -82.56 -27.09 31.83 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 114.122 -1.399 . . . . 52.43 112.651 -169.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.8 mmt -60.64 -38.98 86.6 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 121.083 0.468 . . . . 55.31 109.757 174.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -64.99 -45.94 83.51 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.228 -0.896 . . . . 74.12 110.449 172.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -62.44 -25.74 68.13 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 112.77 0.656 . . . . 74.5 112.77 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 84.5 mt -69.89 -34.96 74.23 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 118.099 0.409 . . . . 75.5 110.587 175.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.1 -24.81 65.97 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.634 0.774 . . . . 61.2 111.886 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -99.2 -55.5 2.67 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.441 0.696 . . . . 73.43 110.925 -176.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -78.42 108.02 11.47 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.427 0.691 . . . . 71.05 109.585 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -106.32 -33.27 7.82 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.439 0.696 . . . . 73.14 111.367 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -88.92 75.27 8.08 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 121.385 0.612 . . . . 72.12 110.651 -177.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.429 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -174.41 159.41 3.04 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.349 1.46 . . . . 72.12 107.933 169.418 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.48 171.38 13.87 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.466 0.65 . . . . 64.41 111.477 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.521 ' H ' ' HD3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -63.1 154.55 30.63 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 114.541 -1.208 . . . . 70.42 113.072 -179.559 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.478 HG23 ' HB2' ' A' ' 28' ' ' GLN . 3.3 mp -110.12 146.49 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-N 113.899 -1.501 . . . . 74.02 109.841 -171.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tt -106.11 120.51 41.98 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.674 0.79 . . . . 62.24 110.181 173.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 37.9 mm -112.67 146.53 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.334 1.053 . . . . 41.03 110.123 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.52 HG21 HG23 ' A' ' 15' ' ' ILE . 48.3 mt -125.78 157.83 35.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 N-CA-C 107.977 -1.12 . . . . 63.34 107.977 172.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.6 t -153.84 156.04 36.88 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.138 0.975 . . . . 71.24 109.304 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -108.0 6.05 26.75 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.635 0.774 . . . . 73.23 110.468 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -138.65 146.32 41.52 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.999 0.52 . . . . 61.2 111.692 -175.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -75.13 -39.31 60.61 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.832 1.253 . . . . 75.41 111.504 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -65.97 -33.88 76.83 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.393 0.677 . . . . 72.14 110.56 -173.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.646 HD13 HG12 ' A' ' 32' ' ' VAL . 80.9 mt -65.01 -45.3 86.09 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.525 0.73 . . . . 75.13 110.075 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 8' ' ' ASN . 56.6 mt -56.1 -50.68 70.37 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 114.928 -1.033 . . . . 63.51 109.626 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -54.36 -45.82 72.85 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 124.665 1.228 . . . . 65.43 111.313 -175.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -56.14 -56.56 19.37 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.93 0.769 . . . . 75.1 111.072 174.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 25.4 mtt -59.21 -48.07 82.97 Favored 'General case' 0 C--O 1.211 -0.959 0 O-C-N 124.19 0.932 . . . . 63.23 111.405 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.545 HD11 HD22 ' A' ' 80' ' ' LEU . 76.1 mt -54.94 -43.8 73.72 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.843 0.857 . . . . 70.52 111.558 -176.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.81 -35.52 74.88 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.782 0.833 . . . . 75.45 111.051 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 95.3 mt -70.17 -49.05 54.4 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.025 0.53 . . . . 74.33 111.279 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 76.7 mt -62.38 -29.31 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 124.571 1.149 . . . . 72.53 110.401 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.9 t -66.44 -44.04 83.97 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 115.362 -0.835 . . . . 64.12 110.89 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 14.0 ptmm? -79.19 -20.69 47.75 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 122.36 0.264 . . . . 73.13 110.815 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 86.2 mt -72.57 -33.95 67.12 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 109.202 -0.666 . . . . 64.31 109.202 169.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.23 70.89 1.31 Allowed Glycine 0 C--N 1.346 1.088 0 CA-C-N 115.395 -0.821 . . . . 61.22 111.88 177.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -133.69 171.29 14.33 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.702 0.801 . . . . 74.42 110.181 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.415 ' HA ' ' HE3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -76.41 109.7 10.33 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 109.013 -0.736 . . . . 74.22 109.013 172.839 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.4 t -92.91 111.14 24.09 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 123.453 0.701 . . . . 75.04 109.979 -176.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -112.55 144.17 42.47 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.499 1.119 . . . . 73.45 108.676 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.545 HD22 HD11 ' A' ' 68' ' ' LEU . 66.2 tp -143.23 108.51 5.01 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.388 0.675 . . . . 73.41 109.738 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.484 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 48.5 tp -102.15 114.45 28.6 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 108.662 -0.866 . . . . 64.45 108.662 173.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 pp -118.39 145.52 45.11 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.832 -0.542 . . . . 72.3 111.47 -175.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.446 ' HG3' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -146.64 145.3 30.0 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 124.039 0.935 . . . . 74.42 109.452 -178.849 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -161.11 169.23 22.78 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 114.8 -1.091 . . . . 64.33 108.232 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -85.69 1.28 50.05 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.357 0.663 . . . . 74.13 111.594 -178.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -125.71 149.25 48.66 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.194 0.998 . . . . 65.14 109.609 175.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -80.88 -48.53 12.23 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.888 0.875 . . . . 72.22 111.157 -176.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -61.82 -41.83 98.26 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 115.198 -0.91 . . . . 73.31 111.875 -171.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.14 -28.98 70.02 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.901 0.88 . . . . 52.44 111.565 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 90.6 mt -81.18 -53.68 6.17 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.475 0.71 . . . . 64.53 111.756 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -70.76 -25.53 62.94 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 123.536 0.523 . . . . 74.32 111.829 -170.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.24 -43.25 70.96 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 123.433 0.458 . . . . 71.54 110.351 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.532 ' O ' HG12 ' A' ' 97' ' ' ILE . 41.4 t80 -71.24 -45.82 62.39 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 108.971 -0.752 . . . . 72.03 108.971 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -51.31 -54.1 29.39 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.661 1.184 . . . . 71.3 112.287 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -61.42 -34.78 75.96 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 123.388 0.43 . . . . 73.43 111.279 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 12.4 mmmm -63.19 -43.81 97.14 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.112 0.565 . . . . 74.04 110.741 175.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 93' ' ' PHE . 36.1 mm -72.7 -33.34 44.08 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.203 0 C-N-CA 123.396 0.679 . . . . 75.44 111.267 -177.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -65.26 -34.24 77.88 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.438 0.695 . . . . 71.1 110.651 169.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.3 t -72.36 -26.91 62.09 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.489 0.716 . . . . 64.41 110.776 175.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 25.0 mm-40 -76.1 -23.41 54.93 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 109.638 -0.505 . . . . 73.2 109.638 171.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 104.71 2.41 43.15 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-O 119.658 -0.523 . . . . 61.42 113.766 173.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.439 ' HB2' HG22 ' A' ' 97' ' ' ILE . 19.2 m-85 -82.32 151.82 26.55 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.042 0.537 . . . . 63.31 111.483 -174.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -77.08 92.08 3.72 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.208 1.003 . . . . 75.41 109.634 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.9 p -113.95 130.13 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 121.479 0.656 . . . . 61.43 110.965 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -119.28 148.29 43.31 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.322 1.049 . . . . 51.3 109.596 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -118.29 152.65 35.35 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.189 0.518 . . . . 74.01 110.676 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.5 m -145.97 133.78 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 125.135 1.374 . . . . 75.32 107.464 173.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.4 m -103.61 12.94 34.3 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 121.532 0.682 . . . . 75.12 110.122 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -131.57 150.81 52.02 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.388 1.075 . . . . 74.44 110.202 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -69.01 -48.25 63.46 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.878 1.271 . . . . 75.11 112.493 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.94 -34.74 78.8 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.248 0.619 . . . . 73.11 111.375 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -68.2 -30.62 69.75 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.451 -0.795 . . . . 72.12 110.573 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -65.2 -51.1 63.14 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 123.279 0.631 . . . . 73.32 110.647 176.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.421 HD11 ' HE2' ' A' ' 17' ' ' LYS . 95.8 mt -59.05 -37.68 77.59 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.402 0.681 . . . . 64.54 110.558 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -66.6 -50.26 63.62 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 114.148 -1.387 . . . . 74.04 111.224 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 27.1 mt -71.23 -27.69 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 122.481 0.312 . . . . 75.01 111.159 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 113' ' ' ALA . 38.7 t -58.79 -50.74 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 122.963 0.505 . . . . 53.04 110.75 173.056 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.7 ptm85 -78.54 -22.78 46.74 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 116.576 -0.284 . . . . 62.43 111.587 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -65.74 -39.35 91.01 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.957 0.503 . . . . 75.44 111.138 168.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' A' ' 117' ' ' VAL . 0.5 OUTLIER -49.52 -38.69 31.52 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.429 1.091 . . . . 75.42 111.3 -177.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 18.8 mmt -52.91 -33.38 50.14 Favored 'General case' 0 CA--C 1.551 0.995 0 O-C-N 124.571 1.17 . . . . 74.25 111.7 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 . . . . . 0 CA--C 1.56 1.332 0 C-N-CA 123.664 0.786 . . . . 72.42 111.848 172.324 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.7 mttp . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 120.939 0.399 . . . . 72.24 109.998 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 4.8 mm-40 -96.57 117.8 31.71 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 107.622 -1.251 . . . . 73.21 107.622 176.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -108.51 113.32 26.25 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 122.091 -0.381 . . . . 72.4 110.042 -173.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.0 tt -104.88 121.11 56.4 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.003 0 C-N-CA 123.293 0.637 . . . . 75.2 109.453 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.25 118.8 37.64 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 108.472 -0.936 . . . . 63.23 108.472 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.728 HG21 HD13 ' A' ' 18' ' ' ILE . 2.1 mp -100.06 115.67 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 108.494 -0.928 . . . . 73.43 108.494 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.605 ' HB2' HD11 ' A' ' 64' ' ' LEU . 22.5 t-20 -100.23 124.93 46.26 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 106.807 -1.553 . . . . 74.42 106.807 170.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 t -143.94 129.81 19.4 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 122.875 0.47 . . . . 72.11 109.864 -177.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.26 -24.98 29.71 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.21 -0.905 . . . . 72.42 109.56 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.474 ' ND2' ' HB2' ' A' ' 14' ' ' LEU . 45.9 t30 -91.68 114.25 26.74 Favored 'General case' 0 C--O 1.245 0.866 0 C-N-CA 123.722 0.809 . . . . 63.24 110.849 -175.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -69.29 -40.35 77.76 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.912 -1.04 . . . . 73.23 111.981 -174.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.433 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -67.54 -26.17 66.18 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 110.118 -0.327 . . . . 51.32 110.118 178.615 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.474 ' HB2' ' ND2' ' A' ' 11' ' ' ASN . 29.1 tp -68.18 -41.8 80.91 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-O 118.733 -0.651 . . . . 64.11 110.291 176.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.495 ' HA ' HD12 ' A' ' 18' ' ' ILE . 34.4 mt -48.24 -41.6 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 124.261 0.976 . . . . 72.33 111.303 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 46.5 mtmt -59.6 -49.47 77.62 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 123.984 0.802 . . . . 71.14 110.472 178.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -67.57 -31.41 71.46 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.55 1.14 . . . . 73.21 111.564 -176.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.728 HD13 HG21 ' A' ' 7' ' ' ILE . 82.4 mt -63.47 -53.12 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.412 -0.959 . . . . 74.21 108.412 173.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.563 ' HG2' HG11 ' A' ' 29' ' ' VAL . 99.2 mttt -52.66 -46.85 67.37 Favored 'General case' 0 C--N 1.362 1.133 0 O-C-N 124.476 1.11 . . . . 63.35 110.631 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -62.61 -38.02 88.54 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.8 0.84 . . . . 63.13 112.092 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 24.7 mm-40 -62.39 -42.85 99.74 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.873 0.469 . . . . 70.21 110.947 173.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 18' ' ' ILE . 35.8 t -72.03 -27.42 27.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 123.76 0.824 . . . . 74.51 110.907 -177.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 23.0 mm-40 -71.98 -31.21 66.03 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.285 0.634 . . . . 74.3 111.017 174.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -73.25 -29.21 62.6 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.052 0.541 . . . . 71.14 110.447 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.586 ' HG3' ' HG3' ' A' ' 121' ' ' MET . 17.3 mm-40 -88.69 -26.82 21.63 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.635 0.774 . . . . 61.01 110.5 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.3 47.24 8.37 Favored Glycine 0 C--N 1.341 0.84 0 CA-C-N 116.262 -0.427 . . . . 55.22 113.053 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.524 ' HB2' HG13 ' A' ' 22' ' ' VAL . 2.2 m-85 -108.7 171.22 7.55 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.807 0.843 . . . . 72.44 109.727 174.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -91.46 116.17 28.63 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.358 0.663 . . . . 71.31 110.061 -176.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.563 HG11 ' HG2' ' A' ' 19' ' ' LYS . 36.9 t -94.89 117.88 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.498 0.719 . . . . 73.53 109.859 177.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -127.14 109.01 11.41 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.863 -1.162 . . . . 73.45 107.863 165.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -86.74 116.22 24.7 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 109.19 -0.67 . . . . 61.21 109.19 175.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.536 HG11 ' HB3' ' A' ' 38' ' ' LEU . 74.1 t -88.96 123.61 41.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 124.785 1.234 . . . . 73.11 109.914 173.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -121.21 4.77 10.31 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.352 1.061 . . . . 73.23 110.736 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.435 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 25.6 t70 -155.22 152.28 29.14 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.099 0.56 . . . . 73.11 110.845 -171.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.426 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 48.9 m -64.36 -32.43 74.04 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.888 0.875 . . . . 62.11 112.682 -176.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -80.4 -21.9 41.81 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 122.472 0.309 . . . . 73.35 110.363 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 28.3 mm-40 -67.65 -44.14 78.61 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.95 0.5 . . . . 63.23 111.159 175.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.536 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.2 pp -66.19 -42.0 89.44 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.064 0.227 . . . . 61.21 111.428 -175.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -71.21 -33.03 69.52 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.617 0.573 . . . . 64.02 110.39 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.7 pttm -73.12 -32.13 64.74 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 109.337 -0.616 . . . . 61.32 109.337 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.568 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 63.2 mm-40 -72.49 -30.97 64.99 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 123.38 0.425 . . . . 75.34 110.916 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 33.3 mmt -66.02 -31.16 71.89 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.323 0.249 . . . . 62.31 110.425 172.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -74.98 -36.46 62.01 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.688 0.795 . . . . 72.33 110.38 174.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -59.87 -60.72 3.39 Favored 'General case' 0 C--O 1.206 -1.196 0 C-N-CA 123.979 0.911 . . . . 74.02 110.511 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 32.1 mt -61.28 -28.07 68.93 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.566 0.746 . . . . 53.01 111.495 -174.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.37 -48.53 41.02 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.981 0.912 . . . . 53.04 111.421 177.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -80.59 -35.26 34.41 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.216 0.607 . . . . 74.24 112.022 -174.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -72.96 96.5 2.14 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 107.758 -1.201 . . . . 62.52 107.758 171.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -75.37 -64.79 0.99 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.085 -0.507 . . . . 52.33 112.104 -165.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -105.86 94.96 5.47 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.195 0.598 . . . . 54.0 111.229 -174.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -159.79 161.56 34.65 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 124.016 0.926 . . . . 74.54 109.057 165.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -66.14 160.57 23.76 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.548 0.739 . . . . 64.21 111.293 -174.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 13.4 ptpt -48.69 148.89 1.92 Allowed 'General case' 0 C--O 1.245 0.849 0 C-N-CA 125.661 1.584 . . . . 52.55 112.681 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.59 142.43 27.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-N 115.081 -0.963 . . . . 73.23 110.162 -165.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.523 HD22 HG21 ' A' ' 22' ' ' VAL . 3.8 tt -106.57 110.39 22.58 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.925 -1.034 . . . . 75.33 108.905 175.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.495 HG21 ' SD ' ' A' ' 67' ' ' MET . 36.3 mm -99.43 127.56 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 123.687 0.795 . . . . 72.32 108.888 177.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.432 HG21 HG23 ' A' ' 15' ' ' ILE . 60.5 mt -103.84 110.64 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 108.635 -0.876 . . . . 55.53 108.635 173.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.0 t -113.7 106.43 14.49 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 108.656 -0.868 . . . . 44.34 108.656 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -83.93 13.61 4.8 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.963 0.905 . . . . 62.02 112.557 -171.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.438 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 20.1 t70 -140.32 144.79 36.54 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.537 0.735 . . . . 72.1 109.394 172.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.611 ' HE2' ' HB3' ' A' ' 89' ' ' GLU . 63.8 mttp -84.09 -23.96 30.54 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.281 -0.872 . . . . 74.54 112.68 -173.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -71.29 -32.04 68.18 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 109.015 -0.735 . . . . 73.51 109.015 174.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.444 HD13 HG12 ' A' ' 32' ' ' VAL . 59.7 mt -66.59 -40.83 89.07 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 115.619 -0.719 . . . . 62.31 110.803 175.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.605 HD11 ' HB2' ' A' ' 8' ' ' ASN . 88.5 mt -53.59 -58.68 6.32 Favored 'General case' 0 C--N 1.362 1.144 0 O-C-N 124.445 1.091 . . . . 72.0 110.591 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -55.29 -48.87 73.45 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 124.265 0.978 . . . . 72.43 112.27 -170.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -58.3 -47.75 82.67 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 124.008 0.817 . . . . 74.11 110.903 176.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.495 ' SD ' HG21 ' A' ' 56' ' ' ILE . 24.1 ttm -66.01 -39.51 90.33 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.157 -0.929 . . . . 73.22 111.338 -173.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 80.8 mt -55.18 -45.48 75.78 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.271 1.028 . . . . 60.24 110.766 178.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.53 -32.44 62.47 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.69 -1.141 . . . . 72.02 111.353 -176.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 90.7 mt -68.37 -42.75 78.7 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 122.421 0.288 . . . . 62.01 110.976 175.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.45 HG23 ' HB2' ' A' ' 76' ' ' TYR . 92.0 mt -63.22 -33.65 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 123.597 0.759 . . . . 74.45 110.581 174.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.5 t -61.29 -45.79 93.03 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.449 -0.796 . . . . 63.4 110.792 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -14.54 55.24 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.654 0.382 . . . . 72.03 111.707 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 83.7 mt -73.8 -29.97 62.47 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 109.596 -0.52 . . . . 63.23 109.596 169.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.11 7.95 51.51 Favored Glycine 0 C--N 1.348 1.238 0 CA-C-N 116.031 -0.531 . . . . 73.34 113.324 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.45 ' HB2' HG23 ' A' ' 71' ' ' ILE . 12.5 m-85 -89.5 161.61 16.14 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.706 0.402 . . . . 65.32 110.078 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -70.63 128.19 35.24 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 123.423 0.452 . . . . 54.32 109.851 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.0 t -93.11 106.69 18.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 N-CA-C 108.533 -0.914 . . . . 73.34 108.533 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -115.84 140.93 48.74 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 106.794 -1.558 . . . . 73.14 106.794 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.3 tp -132.14 144.03 50.4 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.342 -0.985 . . . . 62.52 108.342 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.8 tp -141.7 114.31 8.39 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 105.824 -1.917 . . . . 64.11 105.824 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.505 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -122.32 133.46 54.67 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.317 0.579 . . . . 72.3 110.17 -176.713 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.33 147.64 49.2 Favored 'General case' 0 C--O 1.245 0.857 0 CA-C-N 114.92 -1.036 . . . . 61.42 108.216 176.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.495 ' HB2' HD21 ' A' ' 90' ' ' LEU . 7.5 t70 -164.09 156.79 17.49 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.379 -0.971 . . . . 75.14 108.379 -177.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -73.28 -13.08 61.06 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.243 0.617 . . . . 75.13 111.449 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -130.86 112.02 12.62 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.081 1.352 . . . . 73.22 108.254 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -78.72 -4.61 50.06 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.177 0.591 . . . . 73.03 112.381 -172.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -64.77 -38.33 90.62 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.536 -0.542 . . . . 73.05 109.536 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.611 ' HB3' ' HE2' ' A' ' 61' ' ' LYS . 49.0 mm-40 -55.87 -47.9 76.53 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.106 -0.952 . . . . 55.44 111.435 169.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.505 HD22 ' HB2' ' A' ' 82' ' ' LEU . 80.4 mt -70.21 -39.32 75.22 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.627 -1.17 . . . . 73.42 112.63 -171.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -81.63 -32.0 32.14 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.718 0.636 . . . . 61.45 111.086 -173.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.7 -46.82 83.75 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 123.695 0.798 . . . . 62.23 109.692 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.475 ' O ' HG12 ' A' ' 97' ' ' ILE . 6.4 t80 -63.12 -52.76 61.27 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 114.684 -1.144 . . . . 75.11 109.817 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -60.82 -46.13 91.76 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.789 0.836 . . . . 71.44 111.99 -174.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -60.97 -28.76 69.23 Favored 'General case' 0 N--CA 1.485 1.304 0 O-C-N 123.596 0.56 . . . . 64.05 111.473 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -71.47 -44.78 64.13 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.82 -0.627 . . . . 63.32 110.053 172.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 93' ' ' PHE . 48.5 mm -67.41 -30.29 48.51 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.282 0 C-N-CA 124.089 0.956 . . . . 54.14 111.864 -176.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -53.71 -49.22 68.55 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.495 0.718 . . . . 54.31 110.644 169.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.3 t -72.42 -30.69 64.86 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 114.892 -1.049 . . . . 71.34 110.913 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -77.04 -15.89 59.46 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.645 0.778 . . . . 75.31 111.089 177.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.65 42.38 26.66 Favored Glycine 0 C--N 1.35 1.335 0 CA-C-O 119.746 -0.475 . . . . 43.41 113.823 172.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -117.07 135.96 53.34 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.499 -0.926 . . . . 75.22 108.499 173.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -68.96 109.75 4.1 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.207 0.603 . . . . 73.14 110.489 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.7 p -128.2 135.65 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-O 121.483 0.658 . . . . 65.25 111.584 -174.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.508 ' HB3' HD13 ' A' ' 116' ' ' ILE . 5.0 mmp_? -109.7 141.84 41.72 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.404 1.081 . . . . 74.11 109.126 178.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -128.39 130.78 48.19 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.476 0.71 . . . . 73.52 110.675 -174.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.4 m -151.92 128.08 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.361 1.064 . . . . 73.32 109.833 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.1 m -69.42 -40.16 77.44 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 121.786 0.803 . . . . 74.5 109.263 167.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.4 ' OD1' ' HG2' ' A' ' 111' ' ' GLU . 13.1 t70 -78.14 132.02 37.48 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.369 -1.287 . . . . 75.24 110.303 -170.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -65.49 -43.26 90.72 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 114.37 -1.286 . . . . 75.33 113.252 -175.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.4 ' HG2' ' OD1' ' A' ' 109' ' ' ASP . 9.3 pt-20 -76.61 -26.12 54.64 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 122.117 -0.365 . . . . 74.05 110.36 -176.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -69.96 -24.24 63.31 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.629 0.372 . . . . 74.11 111.087 173.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -69.02 -40.32 78.71 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.593 0.357 . . . . 71.11 110.489 170.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.07 -36.76 85.05 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 123.755 0.659 . . . . 53.31 110.35 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 4.3 ttmp? -58.24 -40.98 83.14 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 124.097 0.873 . . . . 74.22 110.782 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.508 HD13 ' HB3' ' A' ' 105' ' ' ARG . 62.0 mt -80.95 -28.39 11.16 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 C-N-CA 123.045 0.538 . . . . 73.52 111.38 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 113' ' ' ALA . 62.4 t -59.54 -53.6 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 122.876 0.471 . . . . 71.24 109.837 172.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 115' ' ' LYS . 1.3 ptm180 -69.59 -36.36 76.17 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.406 0.441 . . . . 75.54 111.279 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.5 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 19.9 mt-10 -53.77 -54.77 33.5 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 118.719 -0.658 . . . . 62.54 110.946 173.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -49.77 -34.36 19.06 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.718 0.807 . . . . 72.22 112.213 -174.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.586 ' HG3' ' HG3' ' A' ' 25' ' ' GLN . 20.2 mmt -62.21 -38.36 88.85 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.863 0.865 . . . . 74.45 112.225 -177.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 . . . . . 0 N--CA 1.485 1.28 0 C-N-CA 123.372 0.669 . . . . 73.22 112.118 178.873 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp . . . . . 0 N--CA 1.473 0.72 0 CA-C-O 121.234 0.54 . . . . 75.35 110.099 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.559 ' HA ' ' HB3' ' A' ' 77' ' ' LYS . 35.9 mt-10 -128.36 118.19 22.74 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.548 1.139 . . . . 72.54 107.947 -176.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.73 112.65 24.83 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.791 -0.818 . . . . 72.03 108.791 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 tt -112.47 117.34 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.935 0.894 . . . . 65.14 109.048 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.507 ' HB3' HD22 ' A' ' 64' ' ' LEU . 6.2 mp -104.09 123.32 47.03 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.595 -0.891 . . . . 64.02 108.595 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 mp -101.89 140.0 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 108.349 -0.982 . . . . 75.01 108.349 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.49 ' HB2' HD11 ' A' ' 64' ' ' LEU . 4.2 t-20 -117.39 108.7 15.89 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 107.627 -1.249 . . . . 53.52 107.627 171.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.2 t -146.58 134.48 21.33 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.053 0.454 . . . . 70.34 109.852 174.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -99.83 2.68 44.16 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.215 -0.902 . . . . 61.54 110.075 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -93.03 102.19 14.53 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.24 1.016 . . . . 73.02 108.823 175.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 6.8 m-20 -61.48 -34.88 76.21 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.072 0.949 . . . . 72.51 111.969 -177.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -61.83 -38.8 89.52 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.136 0.897 . . . . 74.04 110.154 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.8 tp -67.44 -44.1 79.5 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 123.697 0.623 . . . . 70.14 110.891 176.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.502 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 46.4 mt -54.53 -44.35 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 O-C-N 123.801 0.688 . . . . 74.23 109.858 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 30.0 mmmt -53.88 -49.88 67.56 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.23 1.012 . . . . 71.35 111.428 176.315 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.558 ' HE2' HD11 ' A' ' 114' ' ' LEU . 57.7 mtpt -67.98 -39.64 83.28 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.282 1.033 . . . . 53.41 111.564 -175.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 22' ' ' VAL . 81.5 mt -60.94 -51.83 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 108.91 -0.774 . . . . 75.54 108.91 176.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.617 ' HG2' HG11 ' A' ' 29' ' ' VAL . 93.9 mttt -50.21 -51.15 46.63 Favored 'General case' 0 C--N 1.362 1.113 0 O-C-N 124.527 1.142 . . . . 74.01 110.809 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -54.98 35.31 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.333 1.021 . . . . 73.31 111.596 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 28.2 mm-40 -53.25 -50.05 65.61 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 123.88 0.738 . . . . 64.34 111.237 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.558 HG13 ' HB2' ' A' ' 27' ' ' TYR . 71.9 t -69.29 -32.27 52.92 Favored 'Isoleucine or valine' 0 C--O 1.25 1.128 0 C-N-CA 125.467 1.507 . . . . 73.31 112.632 -172.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.62 -32.53 73.31 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.736 0.815 . . . . 72.22 111.362 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -78.04 -18.49 55.78 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.606 0.362 . . . . 60.23 111.094 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 8.7 mm-40 -92.0 -7.48 48.77 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.167 0.587 . . . . 73.03 110.993 175.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.04 -3.12 85.81 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-O 119.203 -0.776 . . . . 45.33 114.774 172.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.558 ' HB2' HG13 ' A' ' 22' ' ' VAL . 2.2 m-85 -73.28 146.94 45.0 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 118.023 0.912 . . . . 72.03 109.943 -176.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.407 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 1.0 OUTLIER -78.0 110.24 12.77 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 108.436 -0.95 . . . . 62.13 108.436 -179.102 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.617 HG11 ' HG2' ' A' ' 19' ' ' LYS . 38.3 t -83.21 122.15 37.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 122.824 0.449 . . . . 60.43 110.067 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.407 ' NH1' ' HB3' ' A' ' 28' ' ' GLN . 2.4 mpt_? -116.48 150.79 37.3 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.9 0.88 . . . . 74.43 108.796 168.072 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -127.33 113.58 16.45 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 107.728 -1.212 . . . . 74.12 107.728 162.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.6 HG11 ' HB3' ' A' ' 38' ' ' LEU . 79.7 t -97.38 120.6 46.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.327 -0.99 . . . . 71.12 108.327 175.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -113.15 -18.08 12.22 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.062 0.945 . . . . 72.23 110.374 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -135.05 154.35 51.74 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.584 0.754 . . . . 65.43 110.15 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.8 m -65.77 -20.19 66.17 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.285 1.034 . . . . 54.24 113.103 -172.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -66.76 -44.02 82.52 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.488 0.315 . . . . 72.31 110.648 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.5 ' HB2' HG13 ' A' ' 32' ' ' VAL . 39.7 mt-10 -61.29 -46.22 91.22 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.053 0.941 . . . . 65.31 112.13 -172.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.6 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.6 pp -66.27 -44.22 84.21 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.729 0.643 . . . . 74.34 111.658 -174.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -73.38 -32.29 64.4 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 116.442 -0.345 . . . . 72.12 110.72 -171.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 28.0 mtpp -60.12 -51.87 67.77 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.999 0.812 . . . . 75.42 110.417 174.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -78.36 -27.29 46.9 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.835 -0.62 . . . . 75.41 111.811 -173.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.439 ' SD ' HD12 ' A' ' 45' ' ' LEU . 14.0 mmt -68.61 -31.9 71.39 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.692 0.397 . . . . 75.53 111.187 177.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -62.19 -46.52 88.55 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.691 0.619 . . . . 75.51 109.424 168.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 28.3 mmmt -71.03 -22.25 62.17 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.387 -0.824 . . . . 54.1 112.613 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.439 HD12 ' SD ' ' A' ' 42' ' ' MET . 93.7 mt -76.3 -40.75 50.76 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.694 -0.484 . . . . 75.04 109.694 173.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.56 93.07 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.919 0.888 . . . . 72.03 111.205 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -76.44 -55.63 5.37 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.759 0.824 . . . . 53.32 110.135 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -104.95 94.94 5.53 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.502 -0.772 . . . . 63.01 109.47 -173.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.554 ' HE2' ' HE1' ' A' ' 76' ' ' TYR . 38.0 ttmt -74.19 -64.05 1.1 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 107.925 -1.139 . . . . 73.35 107.925 169.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 26.33 -80.09 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 127.322 2.249 . . . . 74.5 115.748 168.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -68.59 172.72 5.83 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.711 1.204 . . . . 55.21 112.535 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.06 -164.24 0.05 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 125.054 1.342 . . . . 33.24 112.558 -174.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.09 152.47 29.29 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.902 0.881 . . . . 64.42 112.272 -178.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.67 143.22 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.128 0.971 . . . . 75.11 109.979 -168.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.425 HD22 HG11 ' A' ' 22' ' ' VAL . 1.7 tp -101.02 131.37 46.94 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.039 0.936 . . . . 70.51 109.324 170.222 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.3 mm -118.08 135.04 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 108.027 -1.101 . . . . 65.42 108.027 174.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.1 mt -123.05 146.64 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 108.524 -0.917 . . . . 73.11 108.524 171.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.3 t -153.66 155.09 35.37 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.728 0.811 . . . . 74.22 109.305 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -95.69 -15.95 22.32 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.606 0.762 . . . . 62.41 110.456 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -113.98 134.84 54.58 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.825 0.85 . . . . 72.03 110.808 -170.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.453 ' HA ' HD12 ' A' ' 64' ' ' LEU . 9.4 mptt -77.75 -29.06 50.85 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.055 0.542 . . . . 72.03 112.243 -176.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -68.64 -30.4 69.09 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 110.144 -0.317 . . . . 70.52 110.144 -177.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.568 HD13 HG12 ' A' ' 32' ' ' VAL . 62.7 mt -68.15 -46.29 71.2 Favored 'General case' 0 C--O 1.247 0.942 0 C-N-CA 123.526 0.73 . . . . 63.1 109.55 175.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' A' ' 6' ' ' LEU . 76.7 mt -57.56 -50.19 73.92 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 114.675 -1.148 . . . . 74.5 110.289 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 54.6 tptt -51.33 -52.48 45.03 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 124.703 1.252 . . . . 75.41 110.999 -177.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -58.2 -48.07 81.49 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 124.003 0.815 . . . . 75.12 111.811 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.43 ' O ' HG13 ' A' ' 71' ' ' ILE . 76.5 mtm -62.01 -48.73 79.01 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 123.46 0.475 . . . . 62.32 111.346 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 90.7 mt -53.17 -44.06 67.56 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.733 1.213 . . . . 74.23 111.571 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 56.6 mm-40 -66.67 -41.82 87.56 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 115.659 -0.7 . . . . 73.01 110.799 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.406 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 97.2 mt -60.53 -51.66 68.51 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.664 0.603 . . . . 74.43 111.273 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 67' ' ' MET . 44.5 mt -59.57 -28.48 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 124.432 1.093 . . . . 75.22 111.339 -175.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 t -60.83 -49.76 76.2 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.68 -0.691 . . . . 63.51 111.117 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.417 ' HE3' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -86.57 -6.56 58.85 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 122.213 -0.304 . . . . 54.22 111.378 178.382 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 70.3 mt -78.77 -20.35 50.09 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 109.356 -0.609 . . . . 72.1 109.356 168.082 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.35 20.52 78.76 Favored Glycine 0 C--N 1.35 1.344 0 CA-C-N 115.63 -0.713 . . . . 63.34 113.355 173.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.554 ' HE1' ' HE2' ' A' ' 49' ' ' LYS . 15.1 m-85 -92.05 161.43 14.78 Favored 'General case' 0 C--O 1.24 0.603 0 C-N-CA 123.268 0.627 . . . . 74.42 109.467 174.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.559 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 24.5 ttmm -67.55 111.49 4.18 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.655 -0.702 . . . . 73.41 110.155 -178.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.6 t -90.83 123.97 43.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 N-CA-C 109.764 -0.458 . . . . 70.2 109.764 -177.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -136.95 141.78 42.63 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.957 -1.127 . . . . 65.45 107.957 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.504 HD11 HD13 ' A' ' 64' ' ' LEU . 50.2 tp -131.02 148.17 52.72 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.67 -0.863 . . . . 65.24 108.67 175.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.558 HD13 HG21 ' A' ' 116' ' ' ILE . 19.4 tp -138.83 135.1 34.21 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 105.867 -1.901 . . . . 64.22 105.867 175.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.687 HD13 ' HB3' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -140.16 137.07 34.11 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.183 0.516 . . . . 73.41 110.748 178.063 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' A' ' 107' ' ' VAL . 2.6 pp0? -145.24 142.3 29.39 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 114.792 -1.095 . . . . 73.53 109.124 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -165.49 161.38 18.63 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 115.093 -0.958 . . . . 54.02 109.063 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -63.99 -32.05 73.45 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.64 0.776 . . . . 74.24 110.228 174.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -101.31 111.99 24.37 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.704 0.801 . . . . 71.41 109.075 171.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.552 ' HG3' HD12 ' A' ' 90' ' ' LEU . 31.5 tt0 -85.38 -3.61 58.9 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 122.998 0.519 . . . . 74.14 111.264 -178.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -75.33 -27.15 59.13 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.674 0.389 . . . . 73.24 110.664 176.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -63.25 -43.44 98.0 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 121.687 0.756 . . . . 60.2 110.483 168.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.687 ' HB3' HD13 ' A' ' 82' ' ' LEU . 52.9 mt -71.07 -39.44 72.19 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.025 -1.443 . . . . 72.44 112.148 -170.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.54 -41.02 66.27 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.075 0.55 . . . . 72.43 111.857 -175.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -62.33 -42.66 99.56 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.361 0.664 . . . . 71.3 111.421 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' ' 97' ' ' ILE . 10.1 t80 -68.28 -51.38 45.59 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.483 -0.781 . . . . 60.43 109.7 176.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.495 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 27.9 ttpp -59.06 -48.75 80.45 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 113.201 0.815 . . . . 71.52 113.201 -171.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.9 ptt85 -58.85 -27.05 64.77 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 112.13 0.418 . . . . 44.3 112.13 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.33 -35.13 25.44 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.233 0.613 . . . . 73.12 110.837 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.534 HG23 ' HD2' ' A' ' 102' ' ' TYR . 33.4 mm -69.42 -38.23 76.75 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.371 0 C-N-CA 123.506 0.722 . . . . 64.2 111.265 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.43 -27.8 68.78 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 124.55 1.14 . . . . 71.13 111.665 171.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.7 t -67.82 -36.72 80.88 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.918 0.487 . . . . 71.4 110.487 176.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -71.93 -25.37 61.87 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 110.161 -0.311 . . . . 70.44 110.161 169.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.76 45.14 3.22 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 116.336 -0.393 . . . . 75.45 112.949 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.534 ' HD2' HG23 ' A' ' 97' ' ' ILE . 17.7 m-85 -104.37 145.45 30.24 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.484 -0.561 . . . . 74.22 109.484 177.065 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -78.25 96.2 5.18 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.032 -0.729 . . . . 71.33 109.032 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 80' ' ' LEU . 1.8 p -119.52 130.84 73.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 C-N-CA 123.874 0.87 . . . . 50.31 110.848 -175.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -110.77 144.1 40.27 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 123.052 0.541 . . . . 70.24 110.514 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.495 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 28.2 ttpp -117.85 125.23 50.14 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.524 1.13 . . . . 72.34 109.668 -177.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 83' ' ' GLN . 21.1 m -142.91 143.38 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.312 1.045 . . . . 74.1 108.655 178.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.7 m -87.44 -26.27 23.35 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.375 0.607 . . . . 64.23 110.188 169.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.3 144.73 26.66 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.732 0.813 . . . . 70.12 112.495 -167.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -58.36 -56.16 25.66 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.823 1.249 . . . . 71.21 110.149 168.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -64.37 -33.76 76.6 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 114.788 -1.096 . . . . 51.34 112.397 -173.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.476 ' O ' HG12 ' A' ' 116' ' ' ILE . 44.2 mm-40 -76.43 -29.62 57.08 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 122.388 0.275 . . . . 64.01 110.903 178.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -66.74 -40.28 88.25 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.624 0.37 . . . . 63.34 110.311 173.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.558 HD11 ' HE2' ' A' ' 17' ' ' LYS . 92.1 mt -60.35 -41.76 94.34 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.556 0.742 . . . . 73.01 110.249 173.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 4.7 ttmp? -60.61 -49.49 77.32 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.207 0.942 . . . . 74.35 110.245 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.558 HG21 HD13 ' A' ' 81' ' ' LEU . 43.1 mm -59.64 -39.39 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 123.186 0.595 . . . . 65.32 111.71 -175.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 113' ' ' ALA . 94.5 t -57.49 -41.98 79.94 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 122.999 0.52 . . . . 62.51 110.379 177.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -71.91 -47.63 51.28 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.082 0.953 . . . . 73.11 110.862 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 17.1 mm-40 -54.69 -40.48 69.18 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.178 0.991 . . . . 71.13 111.344 178.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.478 ' HE2' ' HE2' ' A' ' 27' ' ' TYR . 25.5 t80 -53.78 -54.08 43.33 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 124.272 0.983 . . . . 75.2 111.328 177.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.422 ' HG3' ' O ' ' A' ' 117' ' ' VAL . 53.6 mtt -61.58 -25.12 67.12 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 124.002 0.814 . . . . 70.31 112.581 -168.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 . . . . . 0 N--CA 1.481 1.124 0 C-N-CA 123.037 0.535 . . . . 73.42 111.285 176.937 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 76' ' ' TYR . 9.5 ptpp? . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 107.069 -1.456 . . . . 71.2 107.069 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.54 ' HB2' ' HD2' ' A' ' 53' ' ' LYS . 1.4 mp0 -84.17 135.05 34.53 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.263 0.554 . . . . 72.0 110.215 -176.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -110.76 112.91 25.11 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 107.985 -1.116 . . . . 64.44 107.985 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 tt -106.6 122.4 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 108.762 -0.829 . . . . 73.5 108.762 176.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.63 123.02 48.75 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.368 -0.975 . . . . 72.11 108.368 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.664 HG21 HD13 ' A' ' 18' ' ' ILE . 2.4 mp -103.85 123.96 57.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 108.911 -0.774 . . . . 73.32 108.911 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.522 ' HB2' HD11 ' A' ' 64' ' ' LEU . 59.0 t30 -96.66 119.47 35.19 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 106.15 -1.796 . . . . 63.25 106.15 166.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.575 HG23 HG12 ' A' ' 15' ' ' ILE . 2.3 t -143.58 117.74 9.52 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.385 -0.598 . . . . 73.23 109.385 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -107.44 6.36 28.15 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.393 -0.821 . . . . 63.15 111.294 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.415 ' O ' HG13 ' A' ' 15' ' ' ILE . 50.0 t-20 -92.05 108.67 20.11 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.106 -1.442 . . . . 55.04 107.106 166.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.87 -47.3 80.74 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.565 1.146 . . . . 44.21 111.586 -175.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.15 -37.66 88.27 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.158 -0.928 . . . . 73.23 110.413 -178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.0 tp -66.45 -38.15 86.74 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 118.711 -0.662 . . . . 73.32 111.729 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.575 HG12 HG23 ' A' ' 9' ' ' THR . 16.8 mt -54.01 -44.16 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 CA-C-O 121.232 0.539 . . . . 75.33 109.934 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -63.08 -41.32 99.4 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 114.392 -1.276 . . . . 71.03 111.099 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -70.89 -38.29 73.04 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.473 -0.785 . . . . 64.52 111.392 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.664 HD13 HG21 ' A' ' 7' ' ' ILE . 98.9 mt -58.76 -50.12 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.533 0.733 . . . . 61.55 109.224 177.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.633 ' HG2' HG11 ' A' ' 29' ' ' VAL . 99.5 mttt -49.93 -43.77 50.03 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 124.601 1.188 . . . . 72.24 111.556 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -70.35 -36.87 74.46 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.756 0.823 . . . . 75.02 112.441 -177.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 18.5 mm-40 -63.39 -39.42 94.45 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 121.047 0.451 . . . . 44.31 110.275 174.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 18' ' ' ILE . 57.4 t -73.81 -29.4 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.369 1.067 . . . . 72.22 111.101 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -71.01 -26.08 62.96 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.547 0.739 . . . . 72.43 110.631 173.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -71.66 -35.51 70.38 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.114 0.566 . . . . 71.43 110.003 172.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 76.3 mm-40 -82.75 -24.4 33.54 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.582 0.753 . . . . 32.11 111.172 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.6 22.21 58.69 Favored Glycine 0 C--N 1.346 1.089 0 CA-C-N 115.831 -0.622 . . . . 43.34 114.068 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.508 ' HB2' HG13 ' A' ' 22' ' ' VAL . 1.7 m-85 -90.52 161.39 15.51 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 109.53 -0.545 . . . . 74.33 109.53 175.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -91.17 121.21 32.74 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.518 0.727 . . . . 71.11 110.836 -175.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.633 HG11 ' HG2' ' A' ' 19' ' ' LYS . 91.4 t -92.19 122.76 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 122.874 0.47 . . . . 62.12 110.369 175.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -117.77 106.58 13.18 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 108.123 -1.066 . . . . 74.24 108.123 167.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -86.56 117.35 25.28 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.348 -0.982 . . . . 73.12 108.348 175.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.582 HG11 ' HB3' ' A' ' 38' ' ' LEU . 80.0 t -101.98 120.87 52.26 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 CA-C-N 115.25 -0.886 . . . . 74.34 109.71 -175.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -115.03 -21.74 9.89 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.698 -1.137 . . . . 71.51 109.332 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.447 ' HB2' ' HG2' ' A' ' 37' ' ' GLU . 13.9 m-20 -119.93 145.83 46.37 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.165 0.986 . . . . 74.43 110.269 -175.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.9 p -70.4 -21.07 62.89 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.086 0.954 . . . . 72.22 112.712 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -90.76 -28.13 18.46 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 122.239 -0.288 . . . . 72.5 111.409 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.447 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 32.2 mm-40 -63.23 -33.89 76.47 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.444 0.298 . . . . 72.02 111.206 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.582 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.6 pp -65.16 -49.02 71.45 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 123.292 0.37 . . . . 45.45 110.402 178.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -69.72 -28.32 65.72 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 111.611 0.226 . . . . 64.31 111.611 -171.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -64.46 -42.3 96.02 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.531 0.732 . . . . 72.22 110.299 173.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 53.6 mm-40 -76.36 -25.46 54.67 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 112.354 0.501 . . . . 62.21 112.354 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.506 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 80.9 mmm -66.43 -31.36 72.06 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 110.231 -0.285 . . . . 63.3 110.231 173.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -68.27 -42.04 80.16 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.365 0.666 . . . . 74.24 110.446 173.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -58.94 -35.54 73.29 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.966 0.906 . . . . 75.43 111.377 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 73.4 mt -61.05 -48.96 79.33 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.597 0.759 . . . . 73.35 110.873 177.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.451 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -69.47 -56.12 8.32 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.045 0.84 . . . . 63.35 111.493 -176.25 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.65 -50.79 72.11 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.293 1.037 . . . . 71.05 111.623 -173.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -83.05 100.34 10.43 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 107.945 -1.132 . . . . 72.24 107.945 173.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -79.28 -56.77 4.1 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.453 0.301 . . . . 74.32 110.426 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -92.82 91.09 7.29 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.91 0.484 . . . . 65.33 110.656 -176.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -159.96 161.04 34.08 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 123.584 0.754 . . . . 54.13 109.566 164.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.57 133.95 53.95 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.553 0.741 . . . . 74.34 111.211 -174.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.54 ' HD2' ' HB2' ' A' ' 3' ' ' GLU . 46.0 pttt -56.2 135.08 53.43 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.093 0.957 . . . . 64.5 111.383 -176.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.455 ' N ' HD12 ' A' ' 54' ' ' ILE . 3.0 mp -96.43 130.76 44.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 CA-C-N 115.215 -0.902 . . . . 64.21 110.09 -160.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 tt -90.94 113.24 25.42 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.352 -0.84 . . . . 65.31 109.132 174.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.424 HG21 ' SD ' ' A' ' 67' ' ' MET . 26.9 mm -96.66 136.24 28.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 N-CA-C 108.549 -0.908 . . . . 73.54 108.549 176.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.3 mt -113.61 149.62 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 107.244 -1.391 . . . . 54.33 107.244 166.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.4 t -151.73 154.37 36.18 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.394 -0.595 . . . . 55.13 109.394 171.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -90.8 -20.0 22.83 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.351 -0.84 . . . . 55.22 111.139 -173.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -134.15 145.71 49.52 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 122.604 0.362 . . . . 65.41 111.444 -166.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.512 ' HA ' HD12 ' A' ' 64' ' ' LEU . 87.3 mttt -70.57 -34.93 72.74 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.595 1.158 . . . . 42.31 112.345 -173.259 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.01 -35.98 82.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.881 0.472 . . . . 53.15 110.69 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.449 HD13 HG12 ' A' ' 32' ' ' VAL . 50.9 mt -67.93 -51.72 44.48 Favored 'General case' 0 C--O 1.244 0.784 0 N-CA-C 109.535 -0.543 . . . . 64.44 109.535 179.008 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.522 HD11 ' HB2' ' A' ' 8' ' ' ASN . 74.8 mt -50.41 -46.79 56.57 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-N 114.771 -1.104 . . . . 71.35 111.278 176.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -61.09 -48.52 81.31 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 114.674 -1.148 . . . . 73.45 111.03 -171.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -60.25 -41.24 92.8 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.872 0.733 . . . . 74.31 111.054 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.474 ' O ' HG13 ' A' ' 71' ' ' ILE . 32.0 mtt -57.3 -47.2 82.09 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-O 118.762 -0.637 . . . . 60.02 110.43 176.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 41.9 mt -55.87 -41.61 74.67 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.684 0.794 . . . . 71.23 111.564 -176.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.37 -42.84 95.97 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.357 -0.838 . . . . 70.04 109.889 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.68 -40.91 79.89 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 115.277 -0.874 . . . . 75.31 111.935 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 67' ' ' MET . 38.7 mt -63.06 -37.55 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 C-N-CA 123.371 0.669 . . . . 75.43 109.409 178.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.7 t -60.19 -48.18 82.8 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 114.623 -1.171 . . . . 63.04 110.834 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.23 -15.53 56.77 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 112.204 0.446 . . . . 74.53 112.204 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.451 HD22 ' HB2' ' A' ' 46' ' ' ALA . 85.2 mt -78.67 -22.83 46.17 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 109.425 -0.583 . . . . 74.34 109.425 171.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.84 9.16 68.61 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 116.18 -0.463 . . . . 61.33 113.247 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.416 ' HB2' HG23 ' A' ' 71' ' ' ILE . 21.9 m-85 -85.28 171.81 11.62 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.271 0.628 . . . . 61.44 110.403 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -83.0 131.68 35.18 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.316 -0.402 . . . . 73.54 110.15 177.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.8 t -89.91 129.01 41.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 123.576 0.75 . . . . 71.34 109.191 171.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -136.22 127.0 27.37 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 105.922 -1.881 . . . . 72.34 105.922 169.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.1 tp -119.88 147.9 44.14 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.175 -1.046 . . . . 75.22 108.175 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.5 tp -145.7 119.42 9.21 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 106.166 -1.79 . . . . 74.11 106.166 178.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.66 HD13 ' HB3' ' A' ' 90' ' ' LEU . 0.9 OUTLIER -126.75 141.67 51.77 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.041 0.448 . . . . 73.34 111.234 -174.401 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.44 148.07 35.55 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 114.919 -1.037 . . . . 72.15 108.475 177.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.494 ' N ' HD11 ' A' ' 90' ' ' LEU . 28.7 t70 -164.47 158.42 18.33 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 114.771 -1.104 . . . . 71.13 108.129 174.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.86 -16.01 62.67 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.58 0.752 . . . . 72.25 110.588 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -117.47 97.13 5.72 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.479 1.111 . . . . 73.14 108.515 169.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -70.84 -16.46 62.72 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.314 0.646 . . . . 73.01 112.098 -176.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -66.76 -25.63 66.58 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.782 0.433 . . . . 73.34 110.704 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -73.7 -32.38 63.89 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.61 0.764 . . . . 71.23 110.967 175.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.66 ' HB3' HD13 ' A' ' 82' ' ' LEU . 89.2 mt -74.52 -47.54 32.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.07 0.948 . . . . 72.21 111.692 -175.22 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.85 -34.33 77.68 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.812 0.695 . . . . 53.35 112.145 -174.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -69.05 -45.68 69.8 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 122.818 0.447 . . . . 71.02 110.946 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.506 ' O ' HG12 ' A' ' 97' ' ' ILE . 30.6 t80 -61.08 -41.77 97.26 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 109.553 -0.536 . . . . 71.13 109.553 174.489 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.551 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 29.0 ttpp -66.18 -42.68 88.57 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.817 0.847 . . . . 73.55 112.103 -172.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -63.89 -25.91 68.37 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.392 0.277 . . . . 72.32 111.664 -177.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -68.47 -48.54 64.22 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.203 0.601 . . . . 75.25 110.409 169.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 93' ' ' PHE . 38.1 mm -62.31 -44.08 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 C-N-CA 124.129 0.972 . . . . 74.34 110.994 -175.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.36 -38.79 90.91 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.694 1.198 . . . . 65.2 111.552 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.8 t -66.91 -32.07 73.08 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.017 0.527 . . . . 74.13 110.931 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -88.61 7.08 35.13 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.855 0.862 . . . . 63.41 111.514 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 72.13 25.46 74.57 Favored Glycine 0 C--N 1.348 1.241 0 O-C-N 123.302 0.377 . . . . 64.04 113.84 174.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -96.78 128.54 43.83 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 109.34 -0.615 . . . . 75.23 109.34 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.54 123.15 19.24 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.395 0.678 . . . . 74.54 110.422 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.0 p -141.1 141.94 30.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 123.729 0.812 . . . . 54.34 111.126 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -121.88 142.96 49.73 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.932 0.893 . . . . 74.25 109.026 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.551 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 26.0 ttpp -115.14 138.13 51.25 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.508 0.723 . . . . 64.14 110.964 -177.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.22 -179.16 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.186 0.994 . . . . 74.24 108.961 173.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.8 m -140.21 -42.89 0.42 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.196 0.998 . . . . 73.34 108.376 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.85 147.08 45.76 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 114.527 -1.215 . . . . 62.44 111.115 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -55.16 -50.04 70.31 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 114.426 -1.261 . . . . 74.01 110.079 170.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -65.27 -38.25 89.7 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.051 -0.977 . . . . 72.4 112.001 -175.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -75.94 -25.02 55.55 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.797 0.439 . . . . 73.03 111.278 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -72.44 -50.74 24.03 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 122.877 0.471 . . . . 63.24 110.377 175.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.411 HD22 ' HG3' ' A' ' 21' ' ' GLU . 93.8 mt -60.81 -34.85 75.15 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.758 0.823 . . . . 73.23 110.19 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -55.13 -59.04 5.31 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 114.583 -1.189 . . . . 73.24 111.053 176.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.519 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 32.3 mt -72.57 -25.28 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.161 0 C-N-CA 122.753 0.421 . . . . 72.43 111.938 -174.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 113' ' ' ALA . 70.9 t -58.17 -48.71 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 N-CA-C 109.971 -0.381 . . . . 62.54 109.971 168.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -70.17 -39.75 75.1 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.521 0.728 . . . . 71.14 111.261 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.519 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 40.1 mm-40 -61.68 -38.37 87.55 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 123.682 0.793 . . . . 75.32 111.868 178.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -53.19 -41.39 65.21 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.762 0.425 . . . . 74.44 110.497 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 16.5 mmt -60.07 -37.1 78.88 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 124.086 0.866 . . . . 53.41 111.102 -174.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 . . . . . 0 N--CA 1.478 0.964 0 C-N-CA 123.159 0.584 . . . . 72.23 112.041 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.423 ' O ' ' HB3' ' A' ' 76' ' ' TYR . 2.0 tppp? . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 105.903 -1.888 . . . . 65.32 105.903 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -95.2 128.18 41.83 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.565 -0.532 . . . . 63.23 109.565 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.467 HD11 HD13 ' A' ' 45' ' ' LEU . 3.5 mm? -123.58 110.49 15.09 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 107.428 -1.323 . . . . 75.33 107.428 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.4 HG23 ' HG ' ' A' ' 55' ' ' LEU . 8.4 tt -97.15 124.86 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 108.045 -1.095 . . . . 71.34 108.045 170.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.571 ' HB3' HD22 ' A' ' 64' ' ' LEU . 5.0 mp -106.71 122.03 45.54 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 107.885 -1.154 . . . . 63.43 107.885 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.477 HG21 HD13 ' A' ' 18' ' ' ILE . 2.4 mp -101.29 143.93 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 108.509 -0.923 . . . . 75.23 108.509 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.49 ' HB2' HD11 ' A' ' 64' ' ' LEU . 22.2 t-20 -118.99 109.07 15.52 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 109.143 -0.688 . . . . 73.33 109.143 172.146 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.639 HG23 HD13 ' A' ' 15' ' ' ILE . 2.0 t -146.08 122.84 11.22 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.428 -0.953 . . . . 72.51 108.428 170.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -86.16 -13.51 46.85 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.495 0.718 . . . . 72.43 109.245 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -75.17 102.75 5.07 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.245 0.618 . . . . 63.04 109.925 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 2.8 m-20 -45.05 -44.9 10.55 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 125.212 1.405 . . . . 75.33 112.326 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -62.53 -41.53 98.93 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.829 0.852 . . . . 70.12 111.489 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.1 tp -69.47 -36.32 76.45 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.841 -0.618 . . . . 54.11 110.762 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.639 HD13 HG23 ' A' ' 9' ' ' THR . 3.6 mm -53.21 -45.62 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 109.539 -0.541 . . . . 63.51 109.539 176.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 69.5 mmtt -58.69 -46.22 87.73 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.764 -1.107 . . . . 74.13 110.765 -176.136 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.449 ' HE2' HD11 ' A' ' 114' ' ' LEU . 50.9 mtpt -72.72 -35.44 67.56 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 114.553 -1.203 . . . . 64.34 111.076 -174.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.615 ' O ' HG23 ' A' ' 22' ' ' VAL . 76.6 mt -63.48 -46.72 94.41 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 N-CA-C 109.393 -0.595 . . . . 72.0 109.393 175.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.502 ' HE3' HG22 ' A' ' 15' ' ' ILE . 97.3 mttt -55.14 -36.4 65.73 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.124 0.57 . . . . 73.52 111.179 177.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -62.49 -47.99 81.53 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.5 0.72 . . . . 74.3 110.935 174.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 24.9 mm-40 -57.77 -46.35 84.68 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.951 0.782 . . . . 74.31 110.013 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 18' ' ' ILE . 21.7 t -64.23 -32.87 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.032 0.933 . . . . 71.3 110.867 -175.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -73.09 -35.29 66.59 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.033 0.533 . . . . 72.04 110.939 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -68.22 -34.91 77.11 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.462 0.705 . . . . 64.52 109.992 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 79.3 mm-40 -87.14 -22.68 25.19 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 114.927 -1.033 . . . . 63.13 111.17 -177.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.72 49.05 11.22 Favored Glycine 0 C--N 1.343 0.947 0 CA-C-N 116.02 -0.536 . . . . 72.04 113.286 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.435 ' HB2' HG13 ' A' ' 22' ' ' VAL . 2.7 m-85 -111.66 169.72 8.63 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.53 1.132 . . . . 71.54 108.962 172.218 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.502 ' HB2' HG23 ' A' ' 54' ' ' ILE . 65.5 mt-30 -87.15 118.61 26.67 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 122.57 0.348 . . . . 73.12 110.423 -178.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.6 t -79.48 118.06 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.173 0.589 . . . . 63.13 110.521 177.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -126.92 133.02 50.74 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.254 1.022 . . . . 73.33 108.443 167.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -130.57 117.09 19.05 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.921 0.488 . . . . 72.04 109.97 170.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.555 HG11 ' HB3' ' A' ' 38' ' ' LEU . 27.3 t -84.32 123.2 38.81 Favored 'Isoleucine or valine' 0 C--O 1.242 0.69 0 C-N-CA 124.041 0.936 . . . . 75.31 109.518 176.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -106.34 -24.65 12.21 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.506 0.722 . . . . 74.45 110.002 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -139.75 150.07 44.34 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.958 0.903 . . . . 73.33 110.474 -170.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 m -65.76 -24.64 66.99 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.009 0.924 . . . . 73.53 113.096 -173.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -76.16 -30.25 58.05 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 122.413 0.285 . . . . 74.1 110.324 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -66.01 -39.86 90.61 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.726 0.41 . . . . 51.45 111.531 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.555 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.1 pp -67.08 -40.53 87.0 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 123.386 0.429 . . . . 71.33 111.856 -172.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -63.7 -34.44 77.87 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.925 0.393 . . . . 71.12 110.378 -176.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -72.36 -44.67 62.23 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.092 0.957 . . . . 73.32 111.134 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.527 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 11.0 pt-20 -78.21 -29.84 48.59 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 119.438 -0.315 . . . . 75.24 111.679 -176.219 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 34.4 mmt -58.8 -31.91 68.85 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 122.841 0.456 . . . . 70.4 110.261 171.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -70.03 -47.61 61.38 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 115.954 -0.566 . . . . 74.43 110.193 174.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -52.87 -44.18 66.65 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 123.83 0.852 . . . . 64.32 111.216 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 56.6 mt -66.79 -29.7 69.71 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.187 0.995 . . . . 72.24 111.98 -177.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.09 -26.75 16.61 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.88 0.872 . . . . 73.32 112.236 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.03 -42.51 16.09 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.414 0.685 . . . . 73.13 109.991 -177.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -71.59 117.62 13.39 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 108.07 -1.085 . . . . 74.2 108.07 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.536 ' H ' ' HD2' ' A' ' 49' ' ' LYS . 3.1 mptp? -68.34 -63.79 0.99 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.905 0.882 . . . . 74.01 111.065 -164.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -131.91 111.55 11.67 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 109.193 -0.669 . . . . 63.51 109.193 -178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -149.68 172.65 14.73 Favored 'General case' 0 C--O 1.246 0.868 0 C-N-CA 124.936 1.294 . . . . 61.34 107.651 169.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -68.45 158.72 33.12 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.087 0.47 . . . . 65.55 111.532 -174.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -70.67 146.56 49.87 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 114.913 -1.04 . . . . 72.3 110.975 -175.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.502 HG23 ' HB2' ' A' ' 28' ' ' GLN . 3.5 mp -113.16 143.77 22.17 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-N 115.48 -0.782 . . . . 62.53 109.765 -163.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.561 HD22 HG21 ' A' ' 22' ' ' VAL . 6.2 tt -101.75 111.15 23.31 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 108.502 -0.925 . . . . 70.42 108.502 173.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.0 mm -96.46 141.21 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 124.212 1.005 . . . . 63.24 108.373 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.3 mt -125.1 157.77 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 106.681 -1.6 . . . . 72.13 106.681 171.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.4 m -141.62 145.08 34.59 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 123.124 0.57 . . . . 50.51 109.623 167.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -78.12 -13.8 59.72 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 114.686 -1.143 . . . . 72.01 110.085 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -137.43 155.67 49.07 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.557 1.143 . . . . 70.21 110.373 -172.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -87.26 -31.0 20.49 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.06 0.944 . . . . 75.31 112.582 -173.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -70.49 -26.16 63.48 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.856 0.462 . . . . 50.2 110.817 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.451 HD13 HG12 ' A' ' 32' ' ' VAL . 56.2 mt -62.75 -43.54 98.53 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 121.643 0.735 . . . . 62.44 109.603 173.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.571 HD22 ' HB3' ' A' ' 6' ' ' LEU . 92.8 mt -64.75 -47.59 77.65 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 114.428 -1.26 . . . . 55.1 110.964 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -53.16 -45.0 68.25 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 123.887 0.742 . . . . 74.45 110.906 -173.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -61.39 -56.55 19.02 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.469 -0.787 . . . . 74.33 111.348 173.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.465 ' SD ' ' HB2' ' A' ' 38' ' ' LEU . 76.1 mtm -62.3 -38.5 89.65 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 113.42 0.896 . . . . 74.23 113.42 -172.052 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.518 HD21 HD13 ' A' ' 80' ' ' LEU . 78.1 mt -52.97 -43.23 66.24 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.774 0.83 . . . . 51.34 110.874 177.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -81.55 -27.01 34.56 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 114.813 -1.085 . . . . 62.1 111.253 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.47 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 85.9 mt -71.05 -51.76 23.44 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.005 0.522 . . . . 64.14 110.399 176.143 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 70.7 mt -60.06 -32.19 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.443 1.097 . . . . 71.23 110.492 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.1 t -66.77 -43.89 82.83 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.591 -0.732 . . . . 71.23 111.07 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -16.33 57.79 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 117.725 0.239 . . . . 53.45 111.27 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 83.3 mt -70.66 -31.48 68.42 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 108.63 -0.878 . . . . 62.41 108.63 167.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.47 25.63 25.31 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.181 -0.918 . . . . 53.41 111.774 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.423 ' HB3' ' O ' ' A' ' 2' ' ' LYS . 21.2 m-30 -92.73 167.73 11.69 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 123.79 0.836 . . . . 64.25 111.042 175.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.08 118.99 22.98 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.244 -0.889 . . . . 64.23 109.404 177.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.6 t -101.04 128.56 53.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.341 0.656 . . . . 62.43 110.127 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -125.44 151.0 46.79 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 106.297 -1.742 . . . . 71.44 106.297 171.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.53 HD11 HD13 ' A' ' 64' ' ' LEU . 43.8 tp -139.32 148.06 42.43 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.462 0.705 . . . . 75.43 109.59 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.542 HD13 HG21 ' A' ' 116' ' ' ILE . 35.5 tp -139.84 134.8 32.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.258 -1.756 . . . . 73.5 106.258 174.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.35 142.12 39.69 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 120.937 0.399 . . . . 62.01 111.085 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.01 147.14 39.98 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.386 -0.824 . . . . 74.12 109.542 178.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -146.39 175.17 10.74 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 124.638 1.175 . . . . 70.31 108.829 173.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -78.12 -37.45 46.21 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.208 -0.905 . . . . 75.21 108.836 168.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -98.25 137.98 36.19 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.204 1.002 . . . . 72.01 110.122 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.416 ' HA ' HD12 ' A' ' 90' ' ' LEU . 2.3 tm-20 -88.88 -27.62 20.89 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.171 0.588 . . . . 63.24 110.888 -174.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -62.51 -36.03 81.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 122.003 -0.435 . . . . 73.11 110.493 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -64.18 -42.18 96.81 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.121 0.568 . . . . 73.2 110.386 174.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 87' ' ' GLU . 82.1 mt -61.3 -55.46 31.56 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.195 0.998 . . . . 43.25 112.337 -176.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -68.05 -34.88 77.3 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 123.716 0.635 . . . . 75.55 111.685 -172.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 1.4 pp20? -74.33 -38.33 63.31 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 110.406 -0.22 . . . . 74.4 110.406 -176.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.444 ' O ' HG12 ' A' ' 97' ' ' ILE . 10.9 t80 -71.68 -41.02 69.17 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.955 0.502 . . . . 74.42 110.177 176.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.585 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 19.4 ttpp -62.82 -43.06 99.8 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.199 0.599 . . . . 74.24 111.307 -177.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -68.16 -21.6 64.9 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 115.899 -0.591 . . . . 74.33 111.692 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 32.6 mmtp -65.71 -47.07 76.59 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.943 -0.762 . . . . 54.42 108.943 170.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 93' ' ' PHE . 24.6 mm -68.5 -32.6 56.0 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 CA-C-N 114.368 -1.287 . . . . 72.31 110.973 -174.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -53.74 -48.83 69.27 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.634 0.773 . . . . 70.21 110.557 168.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.1 m -67.08 -40.07 86.92 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.886 0.875 . . . . 72.35 111.299 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -69.86 -20.68 63.4 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.982 0.913 . . . . 63.55 111.785 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.05 32.15 7.26 Favored Glycine 0 C--N 1.342 0.887 0 N-CA-C 113.869 0.307 . . . . 61.24 113.869 172.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -121.45 130.77 53.77 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.357 0.663 . . . . 73.31 109.233 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.63 123.19 23.54 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 109.543 -0.54 . . . . 75.4 109.543 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.5 p -135.82 136.77 49.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.649 0.78 . . . . 64.52 111.346 -170.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -109.24 155.8 20.67 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 124.283 1.033 . . . . 74.01 110.142 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.585 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -136.31 127.72 28.48 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.072 -0.967 . . . . 63.13 109.397 -171.708 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.1 m -140.02 143.97 28.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.163 0.985 . . . . 63.32 109.478 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.8 m -102.59 -21.36 14.18 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.088 0.555 . . . . 64.13 109.591 168.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -90.15 143.11 27.07 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.639 0.776 . . . . 74.25 112.022 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -50.4 74.19 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.762 1.225 . . . . 64.1 110.544 169.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 11.4 pt-20 -56.7 -45.33 81.89 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 124.078 0.861 . . . . 54.1 111.026 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.475 ' O ' HG12 ' A' ' 116' ' ' ILE . 17.3 mm-40 -70.77 -30.2 66.62 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.344 0.658 . . . . 73.43 111.594 -176.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.57 89.98 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.961 0.504 . . . . 73.45 110.484 176.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.449 HD11 ' HE2' ' A' ' 17' ' ' LYS . 70.5 mt -66.83 -32.54 73.88 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.617 -0.72 . . . . 74.02 110.329 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 32.7 mmmt -63.62 -48.31 77.86 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 123.656 0.597 . . . . 63.0 110.431 175.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.542 HG21 HD13 ' A' ' 81' ' ' LEU . 50.9 mm -62.53 -35.08 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 C-N-CA 123.196 0.598 . . . . 75.44 111.567 -177.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 93.8 t -56.38 -45.86 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 122.866 0.466 . . . . 60.42 109.797 174.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -70.83 -38.93 73.26 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 123.77 0.828 . . . . 64.11 110.893 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 21.9 mm-40 -60.07 -37.31 79.52 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.923 0.889 . . . . 74.23 111.691 177.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.18 -33.93 76.54 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 123.426 0.454 . . . . 73.0 110.966 176.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.414 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 16.5 mmt -65.39 -34.46 78.36 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 112.205 0.446 . . . . 72.12 112.205 -174.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 . . . . . 0 N--CA 1.477 0.896 0 C-N-CA 122.804 0.442 . . . . 54.14 110.694 177.326 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 107.754 -1.202 . . . . 34.42 107.754 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 2.9 mp0 -109.27 131.06 55.42 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.302 0.572 . . . . 52.02 110.19 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -120.5 111.88 18.25 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 107.414 -1.328 . . . . 71.21 107.414 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 tt -103.37 116.65 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.396 0.678 . . . . 41.15 109.252 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mp -102.69 121.93 43.42 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.811 -0.811 . . . . 74.4 108.811 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.544 HG21 HD13 ' A' ' 18' ' ' ILE . 2.8 mp -100.28 141.22 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 108.259 -1.015 . . . . 72.31 108.259 176.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.51 ' HB2' HD11 ' A' ' 64' ' ' LEU . 3.4 t-20 -113.58 106.82 14.99 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 123.723 0.809 . . . . 73.32 108.888 174.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.423 HG23 HG12 ' A' ' 15' ' ' ILE . 3.8 t -146.25 131.0 17.97 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 123.587 0.755 . . . . 71.34 109.894 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -94.49 -6.49 43.75 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.31 1.044 . . . . 73.24 109.923 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.477 ' O ' HG13 ' A' ' 15' ' ' ILE . 48.0 t-20 -82.11 113.43 19.96 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.437 1.095 . . . . 64.45 109.341 -176.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.36 -46.85 85.48 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.487 1.115 . . . . 75.54 111.088 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -63.46 -41.55 98.61 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 113.917 -1.492 . . . . 74.12 110.249 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' A' ' 110' ' ' ASP . 60.2 tp -69.81 -37.6 76.32 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 118.678 -0.677 . . . . 63.0 111.265 -177.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.494 HG22 ' HE3' ' A' ' 19' ' ' LYS . 65.8 mt -55.19 -42.38 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 N-CA-C 109.106 -0.701 . . . . 62.54 109.106 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -61.86 -46.68 88.35 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 124.164 0.915 . . . . 72.32 111.301 177.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.623 ' HE2' HD11 ' A' ' 114' ' ' LEU . 57.0 mtpt -60.05 -44.09 94.92 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.769 0.828 . . . . 74.32 111.139 -178.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.544 HD13 HG21 ' A' ' 7' ' ' ILE . 76.1 mt -60.38 -51.54 71.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 O-C-N 124.405 1.066 . . . . 71.34 108.841 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.684 ' HG2' HG11 ' A' ' 29' ' ' VAL . 89.5 mttt -52.64 -41.01 63.38 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 124.448 1.092 . . . . 74.3 111.327 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 20' ' ' LYS . 71.3 mmtt -68.03 -41.7 81.72 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 123.754 0.659 . . . . 74.42 111.269 -178.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 25.6 mm-40 -59.01 -42.98 91.43 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 123.83 0.706 . . . . 74.03 110.472 173.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 18' ' ' ILE . 67.0 t -73.48 -29.69 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 124.568 1.147 . . . . 72.02 111.249 -175.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -75.95 -27.91 57.73 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.513 0.725 . . . . 73.24 110.746 174.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -68.8 -23.51 64.29 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.056 0.542 . . . . 73.43 110.031 174.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.723 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 72.7 mm-40 -97.54 -29.12 13.64 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.206 1.003 . . . . 73.22 110.624 178.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.0 39.41 7.48 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 115.732 -0.667 . . . . 45.12 114.515 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.438 ' HB2' HG13 ' A' ' 22' ' ' VAL . 1.0 OUTLIER -97.51 170.03 9.32 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.257 0.623 . . . . 75.52 110.104 176.284 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -92.04 113.38 25.64 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.329 -0.989 . . . . 73.22 108.329 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.684 HG11 ' HG2' ' A' ' 19' ' ' LYS . 21.3 t -93.81 136.42 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 CA-C-N 118.143 0.429 . . . . 52.23 110.388 177.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -133.22 132.88 42.01 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 107.797 -1.186 . . . . 40.33 107.797 162.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -107.24 116.58 32.18 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 108.0 -1.111 . . . . 61.44 108.0 170.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.591 HG12 HD13 ' A' ' 63' ' ' LEU . 86.4 t -92.09 122.27 43.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 C-N-CA 124.511 1.124 . . . . 61.12 109.415 178.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -109.87 -14.69 14.24 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.748 0.819 . . . . 74.02 110.399 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -150.36 156.39 41.42 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.512 0.725 . . . . 75.21 110.887 -176.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.9 m -62.66 -24.23 67.51 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.142 0.977 . . . . 64.32 112.737 -177.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -76.29 -23.47 54.37 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.057 0.143 . . . . 74.3 110.676 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.52 -47.5 32.57 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.38 0.672 . . . . 74.35 110.889 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.536 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.4 pp -71.52 -33.55 69.29 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 112.375 0.509 . . . . 52.22 112.375 -173.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -65.48 -32.99 74.9 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.755 0.312 . . . . 75.32 110.447 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -67.65 -44.99 76.58 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 115.237 -0.892 . . . . 55.1 109.823 174.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 52.3 mm-40 -70.35 -34.34 72.52 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.732 0.641 . . . . 74.21 112.732 -175.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 36.6 mmt -65.39 -35.9 82.34 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 109.469 -0.567 . . . . 75.23 109.469 174.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 64.3 tttp -68.12 -43.33 78.64 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 115.558 -0.747 . . . . 63.23 110.111 174.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -55.43 -36.93 67.03 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 124.507 1.123 . . . . 64.11 111.191 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 66.8 mt -67.72 -44.6 77.25 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.359 -0.837 . . . . 74.31 109.756 176.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.81 -22.92 63.26 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.148 0.979 . . . . 65.23 112.092 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 14.1 mm-40 -77.73 -54.99 5.72 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 108.437 -0.949 . . . . 63.35 108.437 174.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -114.56 105.79 13.5 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 114.528 -1.214 . . . . 70.32 110.629 -170.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -101.81 -4.04 27.0 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.786 0.834 . . . . 73.54 109.094 170.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -87.01 29.05 0.85 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.586 1.555 . . . . 70.32 112.504 -172.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -147.33 176.66 9.83 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.293 0.637 . . . . 74.22 109.867 172.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -77.77 -179.83 6.2 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.193 0.997 . . . . 62.22 112.681 -173.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 14.1 ptpt -66.59 153.55 42.75 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.018 1.327 . . . . 54.13 112.694 -174.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.0 mp -122.48 143.1 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.873 0.869 . . . . 75.5 109.514 -169.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 tt -108.65 121.86 45.9 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.456 1.103 . . . . 65.14 109.699 175.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.4 mm -106.05 145.98 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.003 0 C-N-CA 124.196 0.998 . . . . 71.12 109.289 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 61.8 mt -126.33 149.26 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 107.134 -1.432 . . . . 73.12 107.134 170.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.4 t -155.52 151.04 27.18 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.447 0.699 . . . . 71.45 109.41 174.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -87.82 -38.31 15.81 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.318 0.647 . . . . 74.15 109.752 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -95.39 143.78 26.46 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.088 0.955 . . . . 73.13 110.486 -176.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 89' ' ' GLU . 61.8 mttp -86.28 -23.47 26.32 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.938 0.895 . . . . 61.52 112.27 -174.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -77.4 -23.18 50.73 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.321 0.248 . . . . 71.32 110.531 178.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.591 HD13 HG12 ' A' ' 32' ' ' VAL . 74.2 mt -67.79 -44.25 77.81 Favored 'General case' 0 C--O 1.253 1.284 0 N-CA-C 109.387 -0.598 . . . . 75.33 109.387 170.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.561 HD13 HD11 ' A' ' 80' ' ' LEU . 87.1 mt -55.26 -49.66 71.48 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 114.473 -1.24 . . . . 61.22 109.575 175.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -48.1 -53.12 17.63 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.456 1.098 . . . . 74.11 110.761 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -53.54 -53.79 46.63 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 124.511 1.132 . . . . 73.33 111.215 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 77.5 mtm -64.3 -47.41 79.58 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.583 -0.735 . . . . 65.34 112.161 -175.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 73.0 mt -52.25 -40.03 61.16 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 124.486 1.114 . . . . 71.52 111.319 -178.278 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -73.55 -47.72 38.51 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.053 -0.976 . . . . 50.13 110.909 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.66 -48.71 76.13 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 123.619 0.574 . . . . 71.45 112.072 -175.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 96.3 mt -54.54 -35.92 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 125.313 1.445 . . . . 72.24 111.588 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.6 t -59.05 -50.57 73.56 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.971 0.908 . . . . 71.14 111.463 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.456 ' HD2' ' H ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -86.05 -7.23 58.76 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 111.652 0.241 . . . . 72.32 111.652 179.102 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.0 mt -72.42 -24.49 61.24 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 108.917 -0.771 . . . . 73.45 108.917 166.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.4 39.94 3.82 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 111.37 -0.692 . . . . 54.13 111.37 171.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.406 ' HE2' ' HB3' ' A' ' 45' ' ' LEU . 17.2 m-85 -123.63 152.03 42.39 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.932 0.893 . . . . 63.53 109.693 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -67.54 119.52 12.46 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 123.919 0.762 . . . . 73.34 110.002 171.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.2 t -92.13 110.17 22.41 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 C-N-CA 123.576 0.75 . . . . 61.44 109.537 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -112.18 144.22 41.94 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 108.174 -1.047 . . . . 72.42 108.174 173.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.561 HD11 HD13 ' A' ' 64' ' ' LEU . 51.9 tp -137.05 146.97 45.84 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.351 -0.981 . . . . 73.13 108.351 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.0 tp -144.86 120.88 10.72 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.346 -1.724 . . . . 73.55 106.346 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -123.54 134.98 53.78 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.453 0.645 . . . . 74.43 110.501 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -130.8 144.19 51.28 Favored 'General case' 0 C--O 1.238 0.447 0 CA-C-N 114.864 -1.062 . . . . 72.41 108.37 176.262 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -165.87 163.5 18.63 Favored 'General case' 0 C--O 1.247 0.924 0 N-CA-C 108.331 -0.988 . . . . 74.31 108.331 174.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -71.34 -38.15 71.65 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.641 -0.503 . . . . 43.44 109.641 174.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -86.16 126.49 34.27 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.358 1.063 . . . . 54.02 109.284 175.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -91.36 -8.16 48.81 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 111.911 0.337 . . . . 75.11 111.911 -176.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -71.53 -39.09 70.96 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 118.902 0.774 . . . . 71.21 109.703 174.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.422 ' HB3' ' HE2' ' A' ' 61' ' ' LYS . 56.5 mm-40 -57.65 -37.36 73.22 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.23 1.012 . . . . 74.44 110.719 173.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 66.8 mt -78.1 -54.91 5.73 Favored 'General case' 0 C--O 1.209 -1.049 0 CA-C-N 115.522 -0.763 . . . . 75.12 111.351 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -67.8 -47.91 67.75 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.617 1.167 . . . . 65.21 111.244 -168.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 53.6 mt-10 -63.43 -48.18 78.82 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 123.669 0.606 . . . . 72.03 110.745 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.427 ' O ' HG12 ' A' ' 97' ' ' ILE . 58.8 t80 -67.13 -39.45 86.6 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 123.565 0.54 . . . . 71.2 110.18 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -58.73 -54.67 44.42 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.262 1.025 . . . . 60.4 111.327 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.455 ' NH2' ' HG2' ' A' ' 92' ' ' GLU . 22.6 ptt180 -65.38 -21.82 66.72 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 123.802 0.688 . . . . 75.23 111.702 -174.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 11.3 mmpt? -69.68 -49.07 57.11 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 109.795 -0.446 . . . . 64.4 109.795 170.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 93' ' ' PHE . 50.3 mm -65.34 -33.91 66.9 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.277 0 C-N-CA 123.778 0.831 . . . . 75.43 111.277 -177.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -62.83 -39.74 95.28 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.831 0.853 . . . . 65.41 110.726 172.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.8 t -68.16 -37.17 80.73 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.289 0.635 . . . . 55.34 110.568 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.409 ' NE2' HD13 ' A' ' 97' ' ' ILE . 32.8 mt-30 -69.45 -19.11 63.77 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.009 0.924 . . . . 73.22 111.541 175.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 98.44 1.92 57.79 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-O 119.556 -0.58 . . . . 65.33 114.059 173.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -86.32 144.59 27.3 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.024 0.53 . . . . 72.41 109.812 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.79 123.51 22.79 Favored 'General case' 0 C--N 1.344 0.367 0 N-CA-C 109.117 -0.697 . . . . 71.34 109.117 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 p -138.12 129.28 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.561 0.744 . . . . 50.21 110.127 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -113.67 143.12 45.12 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.922 -0.769 . . . . 73.15 108.922 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.515 ' HA ' HD12 ' A' ' 82' ' ' LEU . 21.5 ptmt -113.88 143.71 44.23 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.204 0.602 . . . . 63.24 110.178 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 83' ' ' GLN . 6.7 m -152.57 130.18 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.835 1.254 . . . . 65.35 109.468 177.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.4 m -79.75 -33.08 41.01 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.47 0.652 . . . . 75.12 109.716 172.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -88.38 143.15 27.18 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.324 -0.853 . . . . 74.04 111.106 -174.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.472 ' HB2' HD13 ' A' ' 14' ' ' LEU . 6.1 p-10 -76.33 -31.6 58.23 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.155 0.982 . . . . 64.43 109.255 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -54.04 -52.3 61.31 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.394 1.878 . . . . 63.43 110.73 168.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -72.08 -24.14 61.45 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.48 -0.782 . . . . 73.13 111.954 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.434 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -66.61 -45.17 80.03 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.823 0.449 . . . . 72.34 110.111 174.117 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.623 HD11 ' HE2' ' A' ' 17' ' ' LYS . 95.6 mt -61.39 -37.24 82.72 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 123.769 0.668 . . . . 72.43 110.257 175.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -62.07 -53.53 54.18 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 124.127 0.892 . . . . 74.31 110.75 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 18.7 mt -69.92 -25.77 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.072 0.549 . . . . 75.15 112.333 -173.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.456 ' O ' ' HG3' ' A' ' 121' ' ' MET . 60.7 t -55.22 -44.88 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 109.653 -0.499 . . . . 65.23 109.653 167.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -75.61 -43.97 45.29 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 124.301 1.04 . . . . 72.04 111.308 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -54.27 -40.29 67.67 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.206 1.002 . . . . 65.22 111.058 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -57.25 -50.84 71.62 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.895 0.878 . . . . 73.2 110.836 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.723 ' SD ' ' HG3' ' A' ' 25' ' ' GLN . 59.1 mtt -65.09 -34.41 78.35 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.276 -0.875 . . . . 71.43 112.002 -168.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 . . . . . 0 CA--C 1.545 0.778 0 O-C-N 123.449 0.468 . . . . 63.21 110.935 177.027 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm . . . . . 0 C--O 1.239 0.536 0 N-CA-C 108.822 -0.807 . . . . 65.22 108.822 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.522 ' HG3' ' HB3' ' A' ' 77' ' ' LYS . 3.2 mp0 -91.63 120.69 32.63 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.548 -0.908 . . . . 75.43 108.548 176.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.575 HD11 HD13 ' A' ' 45' ' ' LEU . 4.2 mm? -100.51 112.44 24.81 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 107.951 -1.129 . . . . 71.31 107.951 -177.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.427 ' HA ' ' HB3' ' A' ' 79' ' ' PHE . 5.1 tt -106.11 115.97 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.788 0.835 . . . . 74.03 109.258 -177.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mp -102.53 121.02 41.53 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.194 0.998 . . . . 63.24 108.352 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.503 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 2.8 mp -100.46 132.46 46.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 109.316 -0.624 . . . . 34.13 109.316 177.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.448 ' HB3' ' HA ' ' A' ' 82' ' ' LEU . 58.7 t30 -99.08 113.12 25.16 Favored 'General case' 0 C--N 1.346 0.418 0 N-CA-C 107.404 -1.332 . . . . 73.45 107.404 168.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.649 HG23 HG12 ' A' ' 15' ' ' ILE . 2.5 t -148.37 117.71 6.92 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 109.302 -0.629 . . . . 64.3 109.302 169.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.68 -0.79 57.59 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.898 -0.592 . . . . 74.43 110.204 170.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -84.7 97.88 9.91 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.917 -1.142 . . . . 75.04 107.917 173.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -51.6 -38.57 55.17 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.444 1.498 . . . . 73.34 112.462 -176.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -60.09 -47.66 84.95 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 124.914 1.384 . . . . 74.13 110.127 -177.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.407 ' O ' HG13 ' A' ' 18' ' ' ILE . 52.8 tp -67.3 -38.5 85.11 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.771 -1.104 . . . . 73.14 111.142 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.649 HG12 HG23 ' A' ' 9' ' ' THR . 58.9 mt -52.85 -45.42 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 C-N-CA 122.911 0.484 . . . . 61.5 110.271 178.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -62.12 -42.43 99.23 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.208 -0.905 . . . . 31.13 111.045 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 58.2 mtpt -65.6 -46.0 81.03 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.242 -0.89 . . . . 75.54 110.886 -178.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.561 ' O ' HG23 ' A' ' 22' ' ' VAL . 74.9 mt -57.51 -46.32 86.01 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 C-N-CA 123.833 0.853 . . . . 71.31 109.873 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.616 ' HG2' HG11 ' A' ' 29' ' ' VAL . 85.4 mttt -51.55 -50.88 59.2 Favored 'General case' 0 N--CA 1.483 1.21 0 O-C-N 124.016 0.823 . . . . 61.21 111.447 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -66.42 -35.31 79.99 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 123.953 0.783 . . . . 74.22 111.808 -177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 36.1 mm-40 -57.45 -50.52 72.75 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 123.752 0.658 . . . . 75.52 109.797 174.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.569 HG21 HD22 ' A' ' 55' ' ' LEU . 54.6 t -71.45 -27.66 29.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 C-N-CA 125.184 1.394 . . . . 63.11 111.527 -174.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -71.6 -33.09 68.7 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.487 0.715 . . . . 62.13 110.78 175.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -83.92 -15.16 48.99 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 122.616 0.366 . . . . 52.03 110.864 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 84.2 mm-40 -83.28 -22.77 32.89 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.174 0.59 . . . . 74.55 109.822 168.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.94 4.54 67.02 Favored Glycine 0 C--N 1.352 1.47 0 N-CA-C 114.46 0.544 . . . . 62.34 114.46 175.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.43 ' CE2' ' SD ' ' A' ' 121' ' ' MET . 1.2 m-85 -85.64 166.81 15.89 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.478 0.711 . . . . 73.12 110.47 -178.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.6 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 70.7 mt-30 -89.23 143.6 26.72 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.986 0.914 . . . . 74.12 109.9 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.616 HG11 ' HG2' ' A' ' 19' ' ' LYS . 20.1 t -121.26 121.78 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 C-N-CA 123.043 0.537 . . . . 75.4 110.408 -178.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.6 ' NH1' ' HB3' ' A' ' 28' ' ' GLN . 10.0 mpt_? -122.73 108.57 13.2 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 109.003 -0.739 . . . . 64.13 109.003 168.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -93.1 122.68 35.71 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.584 -0.895 . . . . 74.02 108.584 173.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.534 HG11 ' HB3' ' A' ' 38' ' ' LEU . 96.6 t -99.09 118.76 46.15 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 C-N-CA 123.459 0.704 . . . . 71.13 109.115 -177.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -111.65 -19.83 12.35 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.509 1.524 . . . . 72.45 109.431 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -137.25 147.82 46.02 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.658 1.183 . . . . 74.14 109.253 -174.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.8 m -64.13 -21.05 66.39 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.929 0.892 . . . . 73.2 112.969 -173.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -76.58 -31.45 57.53 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.048 0.539 . . . . 75.24 110.135 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.9 -30.37 68.84 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.47 0.708 . . . . 61.13 111.995 -177.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.534 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.0 pp -78.55 -42.23 29.86 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 117.762 0.255 . . . . 73.33 110.697 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -73.8 -31.76 63.41 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.811 0.444 . . . . 55.51 111.516 -172.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.432 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 22.2 ptmt -67.14 -35.19 79.18 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 123.35 0.406 . . . . 64.43 109.906 175.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 61.4 mm-40 -77.45 -33.24 54.81 Favored 'General case' 0 C--O 1.21 -0.998 0 CA-C-N 115.914 -0.585 . . . . 74.11 111.18 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.498 ' HG3' HD13 ' A' ' 70' ' ' LEU . 35.7 mmt -60.61 -33.43 72.74 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 118.437 0.562 . . . . 74.24 110.446 174.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.61 -50.74 63.95 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.683 0.793 . . . . 64.31 110.921 173.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 14.0 mmmm -60.55 -47.7 85.03 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.666 0.786 . . . . 64.4 111.319 -177.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.575 HD13 HD11 ' A' ' 4' ' ' LEU . 54.9 mt -74.53 -30.99 61.99 Favored 'General case' 0 C--O 1.219 -0.52 0 C-N-CA 123.58 0.752 . . . . 60.53 111.026 -173.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.19 -55.99 17.87 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.384 0.673 . . . . 73.31 110.811 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -73.17 -43.34 61.62 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.55 -1.205 . . . . 54.23 111.709 -170.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -82.42 118.48 23.24 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 108.732 -0.84 . . . . 70.42 108.732 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -105.62 -66.89 0.95 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 120.68 0.276 . . . . 72.32 111.631 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -76.96 94.06 3.9 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.325 0.65 . . . . 75.44 110.476 -174.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -172.75 -177.48 1.68 Allowed 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 125.067 1.347 . . . . 75.31 109.333 171.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.61 153.79 40.6 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 120.915 0.388 . . . . 72.34 111.877 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -81.66 149.76 28.38 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.578 -0.737 . . . . 71.43 110.564 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 54' ' ' ILE . 3.4 mp -112.23 132.35 61.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 115.013 -0.994 . . . . 64.14 109.684 -163.254 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.569 HD22 HG21 ' A' ' 22' ' ' VAL . 4.0 tt -91.68 115.12 27.79 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.324 -0.853 . . . . 63.15 108.879 172.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.7 mm -98.04 138.71 21.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 124.092 0.957 . . . . 74.23 108.465 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 56.3 mt -117.09 154.99 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 N-CA-C 107.179 -1.415 . . . . 61.13 107.179 165.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.3 t -156.02 145.79 21.16 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.206 -1.035 . . . . 63.45 108.206 167.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -105.24 23.75 13.19 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 124.001 0.92 . . . . 60.24 110.843 -175.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.426 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 20.9 t70 -145.12 136.84 25.47 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 123.011 0.524 . . . . 74.15 110.369 176.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' A' ' 64' ' ' LEU . 49.9 mtpt -71.08 -33.88 70.63 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.25 1.02 . . . . 74.32 111.527 -172.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -75.34 -33.31 61.1 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.709 0.404 . . . . 71.31 110.81 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.517 HD13 HG12 ' A' ' 32' ' ' VAL . 53.8 mt -65.66 -44.21 87.01 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 109.418 -0.586 . . . . 70.13 109.418 178.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.459 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 37.1 mt -58.94 -51.54 69.59 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 114.604 -1.18 . . . . 74.04 110.978 174.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -56.29 -41.92 76.68 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.585 1.154 . . . . 71.02 111.505 -174.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -61.23 -53.4 57.34 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 123.695 0.622 . . . . 53.3 111.174 172.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.492 ' SD ' ' HB2' ' A' ' 38' ' ' LEU . 76.7 mtm -62.37 -30.7 71.38 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.86 0.689 . . . . 72.43 112.86 -176.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.499 HD11 HD22 ' A' ' 80' ' ' LEU . 80.4 mt -60.55 -43.22 97.47 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.001 0.52 . . . . 73.03 110.751 177.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -81.28 -29.98 34.14 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.225 -0.898 . . . . 62.14 111.39 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.498 HD13 ' HG3' ' A' ' 42' ' ' MET . 90.7 mt -67.85 -54.67 17.11 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.042 0.537 . . . . 70.13 109.99 176.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.446 HG22 HG22 ' A' ' 78' ' ' VAL . 98.1 mt -59.94 -30.1 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 124.555 1.142 . . . . 71.4 111.399 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.9 t -66.4 -40.55 89.7 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.123 0.569 . . . . 72.43 111.237 175.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -16.1 40.58 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 119.569 -0.253 . . . . 73.41 111.365 177.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 51.4 mt -71.42 -34.99 70.81 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 108.856 -0.794 . . . . 72.35 108.856 170.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.78 67.18 0.98 Allowed Glycine 0 C--N 1.346 1.129 0 CA-C-N 115.53 -0.759 . . . . 71.52 111.751 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -141.17 151.98 44.29 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.443 1.097 . . . . 64.01 109.677 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.522 ' HB3' ' HG3' ' A' ' 3' ' ' GLU . 49.9 tptt -70.05 108.73 4.2 Favored 'General case' 0 C--N 1.352 0.678 0 N-CA-C 108.586 -0.894 . . . . 75.41 108.586 175.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 71' ' ' ILE . 39.2 t -89.15 130.25 38.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 123.685 0.794 . . . . 75.1 109.59 -172.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.427 ' HB3' ' HA ' ' A' ' 5' ' ' ILE . 21.3 t80 -128.32 145.3 51.11 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 106.913 -1.514 . . . . 75.13 106.913 177.116 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.499 HD22 HD11 ' A' ' 68' ' ' LEU . 56.8 tp -139.51 102.05 4.37 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 108.995 -0.743 . . . . 44.54 108.995 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.503 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 46.2 tp -92.59 111.55 23.18 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 107.358 -1.349 . . . . 65.34 107.358 171.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.448 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 3.8 pp -111.27 144.38 40.53 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.33 0.513 . . . . 73.45 110.866 -176.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -156.04 150.39 25.67 Favored 'General case' 0 C--O 1.244 0.763 0 C-N-CA 124.051 0.94 . . . . 65.13 109.622 -176.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.406 ' H ' HD11 ' A' ' 90' ' ' LEU . 7.6 t70 -164.45 172.53 13.24 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-N 114.834 -1.076 . . . . 74.13 108.263 172.118 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -78.96 -15.75 57.86 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.28 0.632 . . . . 64.31 110.655 173.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -101.21 142.15 33.06 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.486 1.114 . . . . 73.42 109.701 173.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -90.38 -37.44 13.99 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.542 0.737 . . . . 75.03 111.848 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -57.11 -44.57 83.37 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.394 0.678 . . . . 73.33 111.891 -170.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -63.46 -37.4 87.15 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 115.327 -0.851 . . . . 72.13 111.59 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.406 HD11 ' H ' ' A' ' 84' ' ' ASP . 70.1 mt -72.06 -53.76 11.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.759 0.824 . . . . 75.12 111.999 -173.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.8 -42.45 99.02 Favored 'General case' 0 C--O 1.247 0.948 0 C-N-CA 123.577 0.751 . . . . 74.13 111.792 -174.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 1.7 pp20? -74.99 -32.11 61.58 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 123.823 0.702 . . . . 74.15 110.599 -177.036 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.541 ' O ' HG12 ' A' ' 97' ' ' ILE . 6.0 t80 -69.19 -49.28 58.05 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.401 -0.592 . . . . 72.04 109.401 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.425 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 20.8 ttpt -55.88 -51.92 65.87 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.157 0.983 . . . . 73.11 111.92 -176.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -59.74 -28.5 67.41 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 123.806 0.691 . . . . 63.5 112.435 -175.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 30.7 mmtp -69.86 -51.32 34.38 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.451 -0.574 . . . . 63.1 109.451 175.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 93' ' ' PHE . 34.7 mm -68.09 -28.87 42.62 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.421 0 CA-C-N 114.564 -1.198 . . . . 65.13 111.487 -171.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -61.44 -46.75 88.78 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 123.584 0.754 . . . . 72.12 110.636 169.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.0 t -72.44 -17.95 61.74 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.292 -0.867 . . . . 71.31 111.185 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -90.3 1.61 56.36 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.335 1.054 . . . . 70.43 111.512 175.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 73.91 31.4 60.1 Favored Glycine 0 C--N 1.35 1.355 0 N-CA-C 114.156 0.422 . . . . 65.0 114.156 171.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.525 ' HB2' HG22 ' A' ' 97' ' ' ILE . 38.7 m-85 -110.89 139.58 46.1 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 108.725 -0.842 . . . . 75.22 108.725 174.278 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -73.36 88.59 1.57 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.077 0.551 . . . . 71.55 109.915 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.0 p -109.19 136.22 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.614 0.766 . . . . 62.43 110.721 -173.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -123.55 146.1 48.38 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.695 1.198 . . . . 70.2 108.928 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.425 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 28.5 ttpp -114.56 129.8 56.7 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.391 0.676 . . . . 64.11 110.532 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.9 m -135.34 133.52 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 108.615 -0.883 . . . . 74.32 108.615 173.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.3 m -97.41 -0.37 46.39 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 121.528 0.68 . . . . 62.52 110.063 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -125.3 150.52 47.04 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.494 0.717 . . . . 64.14 111.017 -171.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -57.86 -55.28 36.95 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.418 1.487 . . . . 50.25 111.393 173.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.48 -38.76 92.15 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.786 0.834 . . . . 71.25 111.781 -174.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -65.28 -31.24 72.29 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.465 0.706 . . . . 43.3 110.908 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.72 70.33 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.342 0.657 . . . . 41.12 110.626 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.427 HD22 ' HG3' ' A' ' 21' ' ' GLU . 89.5 mt -61.64 -33.34 73.78 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.457 0.703 . . . . 55.42 110.821 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -62.58 -57.51 10.85 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 123.698 0.624 . . . . 73.12 111.116 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 56.0 mt -64.98 -28.64 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 123.047 0.539 . . . . 62.01 111.81 -174.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 50.1 t -58.76 -48.78 85.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 C-N-CA 123.436 0.695 . . . . 63.14 110.977 171.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -76.41 -44.73 34.74 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.706 0.802 . . . . 73.31 111.377 -175.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.58 -26.21 68.31 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.816 0.847 . . . . 73.12 112.06 175.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -57.9 -42.02 83.84 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.914 0.486 . . . . 74.22 110.356 173.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.43 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 11.9 mmt -59.62 -23.33 62.91 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 124.033 0.833 . . . . 73.01 112.571 -172.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 . . . . . 0 CA--C 1.561 1.375 0 C-N-CA 123.358 0.663 . . . . 72.25 111.116 173.363 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt . . . . . 0 C--O 1.243 0.737 0 CA-C-O 121.778 0.799 . . . . 70.13 110.725 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.54 ' HG3' ' HD2' ' A' ' 77' ' ' LYS . 2.0 mp0 -113.46 133.27 55.3 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-N 113.382 -1.735 . . . . 73.12 108.756 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.84 111.73 20.11 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 107.632 -1.248 . . . . 73.44 107.632 173.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.467 HG23 ' HG ' ' A' ' 55' ' ' LEU . 3.8 tt -108.04 128.57 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 123.901 0.88 . . . . 75.04 108.798 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -112.57 120.21 40.8 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 107.913 -1.143 . . . . 62.54 107.913 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.524 HG21 HD13 ' A' ' 18' ' ' ILE . 3.1 mp -99.37 141.48 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 N-CA-C 108.057 -1.09 . . . . 65.31 108.057 176.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.589 ' HB2' HD11 ' A' ' 64' ' ' LEU . 14.8 t30 -121.47 112.6 18.72 Favored 'General case' 0 C--N 1.345 0.413 0 C-N-CA 122.948 0.499 . . . . 73.15 110.063 173.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.406 HG23 HG12 ' A' ' 15' ' ' ILE . 6.5 t -146.53 124.05 11.73 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 108.128 -1.064 . . . . 44.41 108.128 165.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -79.85 -18.04 51.76 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 122.704 0.402 . . . . 73.24 110.06 174.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -67.47 102.44 1.13 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.166 -1.05 . . . . 70.21 108.166 175.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -58.68 -35.24 72.29 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.755 1.222 . . . . 52.33 112.265 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -72.7 -37.14 67.93 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.277 -0.874 . . . . 61.15 110.586 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 110' ' ' ASP . 41.3 tp -71.53 -31.23 66.81 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.896 0.478 . . . . 72.1 110.965 177.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.499 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 65.2 mt -52.24 -45.16 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 N-CA-C 109.424 -0.584 . . . . 62.55 109.424 173.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -60.6 -41.9 95.7 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.582 1.153 . . . . 74.14 111.866 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HE2' HD11 ' A' ' 114' ' ' LEU . 57.2 mtpt -66.18 -40.38 90.42 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.666 0.786 . . . . 75.24 110.887 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 22' ' ' VAL . 60.6 mt -65.92 -40.49 87.61 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 CA-C-N 115.482 -0.781 . . . . 71.03 108.975 176.164 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 83.5 mttt -56.31 -51.61 67.57 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.615 0.766 . . . . 70.22 111.435 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -32.02 73.11 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.329 0.393 . . . . 74.41 111.345 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.535 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 61.6 mm-40 -62.15 -40.64 96.64 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.589 0.355 . . . . 71.54 111.355 172.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 18' ' ' ILE . 57.9 t -67.08 -31.36 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.888 0.875 . . . . 40.14 110.917 177.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.47 -29.73 61.57 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.566 0.746 . . . . 74.15 110.643 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -67.1 -30.74 70.84 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.048 0.539 . . . . 71.3 110.048 172.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 62.9 mm-40 -84.85 -27.58 26.63 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.435 0.694 . . . . 72.0 110.063 177.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.79 33.49 15.62 Favored Glycine 0 C--N 1.356 1.677 0 C-N-CA 123.692 0.663 . . . . 70.52 114.063 176.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.441 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 2.3 m-85 -99.5 165.68 11.52 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.815 0.846 . . . . 74.42 110.189 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.503 ' HB2' HG23 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -77.03 112.99 14.26 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 107.718 -1.215 . . . . 64.52 107.718 178.801 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.76 101.17 6.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 O-C-N 123.777 0.673 . . . . 72.04 109.42 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -116.81 109.17 16.76 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.217 0.607 . . . . 73.32 109.395 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -101.74 116.42 32.7 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 108.556 -0.905 . . . . 74.35 108.556 173.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.606 HG12 HD13 ' A' ' 63' ' ' LEU . 84.2 t -90.0 119.78 37.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 C-N-CA 123.962 0.905 . . . . 74.32 108.798 175.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -116.67 -7.62 11.53 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.24 1.016 . . . . 65.4 109.373 175.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -131.13 143.4 50.61 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.44 1.096 . . . . 51.44 109.856 -172.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.7 m -70.58 -24.4 62.76 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.797 0.839 . . . . 74.04 112.937 -173.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.514 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 17.4 t70 -80.99 -31.02 34.87 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.805 -0.443 . . . . 73.54 109.805 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -54.18 -50.08 67.84 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.846 0.459 . . . . 70.11 111.924 175.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.574 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.2 pp -62.5 -40.91 98.25 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.541 0.526 . . . . 73.02 111.541 -173.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.514 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 17.6 ptpt -66.61 -34.51 78.05 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 110.483 -0.192 . . . . 61.51 110.483 -175.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -61.4 -49.1 78.26 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.161 0.984 . . . . 75.32 111.183 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 5.7 pt-20 -82.81 -26.68 31.52 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.387 -0.824 . . . . 74.45 112.119 -173.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 37.3 mmt -62.73 -39.2 93.33 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.262 0.553 . . . . 71.12 109.956 171.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.54 -43.64 69.15 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.119 -0.946 . . . . 70.4 110.44 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 41' ' ' GLU . 41.1 mmtm -54.04 -34.07 59.01 Favored 'General case' 0 N--CA 1.501 2.085 0 C-N-CA 124.163 0.985 . . . . 53.43 112.225 177.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 96.2 mt -57.33 -48.7 78.3 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.751 0.821 . . . . 74.3 111.082 174.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.02 -17.24 33.42 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.166 0.986 . . . . 74.22 112.223 -176.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -74.67 -52.83 10.58 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.99 0.516 . . . . 74.52 109.833 177.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -81.57 138.15 35.43 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 109.188 -0.671 . . . . 74.11 109.188 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -77.67 -50.79 11.74 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.754 0.822 . . . . 62.03 111.296 -173.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -141.27 121.21 13.61 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.897 0.479 . . . . 74.02 110.647 -173.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.419 ' CE2' HD11 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -169.22 163.56 10.92 Favored 'General case' 0 C--O 1.25 1.123 0 C-N-CA 124.907 1.283 . . . . 74.23 108.493 175.353 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.4 160.74 26.76 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.726 0.81 . . . . 63.12 111.76 -175.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.435 ' HE3' ' OH ' ' A' ' 27' ' ' TYR . 42.2 pttt -71.82 148.79 45.89 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 114.727 -1.124 . . . . 74.45 111.954 -177.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.503 HG23 ' HB2' ' A' ' 28' ' ' GLN . 2.7 mp -112.08 146.91 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.713 1.205 . . . . 55.33 108.49 -172.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.526 HD22 HG21 ' A' ' 22' ' ' VAL . 9.4 tt -109.18 122.25 46.9 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 108.964 -0.754 . . . . 73.3 108.964 175.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.7 mm -104.94 130.25 56.3 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 124.475 1.11 . . . . 60.23 109.453 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.407 HG21 HG23 ' A' ' 15' ' ' ILE . 51.7 mt -111.33 153.12 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 106.909 -1.515 . . . . 72.2 106.909 167.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.8 t -150.43 144.81 25.66 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 109.327 -0.62 . . . . 64.41 109.327 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -96.94 1.74 50.75 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.377 1.071 . . . . 71.11 110.851 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -136.01 141.69 44.38 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.859 0.864 . . . . 71.33 110.943 -177.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.74 -21.73 25.0 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.099 0.96 . . . . 63.55 113.215 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -67.91 -35.57 78.69 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 109.796 -0.446 . . . . 61.1 109.796 176.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.606 HD13 HG12 ' A' ' 32' ' ' VAL . 57.4 mt -64.41 -44.61 90.7 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 123.628 0.771 . . . . 72.21 110.134 177.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.589 HD11 ' HB2' ' A' ' 8' ' ' ASN . 78.9 mt -57.26 -50.29 73.35 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 114.693 -1.14 . . . . 70.43 110.241 177.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -62.64 -40.91 98.51 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 124.459 1.1 . . . . 71.33 110.953 -166.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -60.62 -53.88 52.05 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.432 -0.804 . . . . 73.01 111.267 170.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.429 ' SD ' ' HB2' ' A' ' 38' ' ' LEU . 75.9 mtm -63.9 -30.87 71.91 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.001 0.741 . . . . 72.41 113.001 -173.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 88.9 mt -58.58 -35.67 72.77 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.359 0.663 . . . . 71.31 111.124 176.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -83.04 -36.44 24.96 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.121 0.968 . . . . 71.54 111.136 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.2 -52.88 52.06 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.827 0.851 . . . . 72.32 111.325 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 71.8 mt -64.35 -30.54 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 124.153 0.981 . . . . 75.41 110.685 178.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.2 t -68.75 -42.74 77.12 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.513 0.725 . . . . 63.24 110.955 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -22.33 53.06 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.092 0.157 . . . . 64.43 111.169 178.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.0 mt -71.33 -29.78 65.42 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.408 0.683 . . . . 74.11 109.606 170.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.05 10.38 56.24 Favored Glycine 0 C--N 1.345 1.081 0 CA-C-N 115.234 -0.894 . . . . 63.53 113.122 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 45' ' ' LEU . 35.0 m-85 -83.54 166.14 18.5 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 117.404 0.602 . . . . 71.42 111.27 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.54 ' HD2' ' HG3' ' A' ' 3' ' ' GLU . 30.2 ttmt -78.39 113.88 16.78 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.686 -1.143 . . . . 73.14 109.857 -177.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -90.82 119.89 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 123.806 0.842 . . . . 65.31 109.99 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -117.88 137.99 52.43 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 106.582 -1.636 . . . . 73.45 106.582 170.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.443 HD23 HG13 ' A' ' 97' ' ' ILE . 59.3 tp -132.21 102.91 5.97 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 109.389 -0.597 . . . . 63.24 109.389 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.1 tp -86.44 129.74 34.75 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 107.602 -1.258 . . . . 65.31 107.602 166.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.41 HD22 ' CD2' ' A' ' 93' ' ' PHE . 4.1 pp -133.99 142.25 47.58 Favored 'General case' 0 C--O 1.245 0.827 0 N-CA-C 108.935 -0.765 . . . . 74.15 108.935 176.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -144.86 142.81 30.23 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 108.775 -0.824 . . . . 62.55 108.775 178.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.563 ' N ' HD21 ' A' ' 90' ' ' LEU . 13.2 m-20 -150.07 166.35 30.02 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.042 1.337 . . . . 73.32 108.246 177.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -81.17 -30.79 34.29 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 115.461 -0.791 . . . . 51.0 109.538 168.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -82.5 106.14 14.13 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.416 0.686 . . . . 70.54 109.315 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.5 ' HA ' HD12 ' A' ' 90' ' ' LEU . 10.0 tp10 -65.72 -34.05 77.29 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.648 0.779 . . . . 73.53 110.951 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -64.76 -34.22 77.81 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.011 0.524 . . . . 64.54 110.991 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -68.77 -41.05 79.34 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.718 0.407 . . . . 72.24 111.005 174.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.563 HD21 ' N ' ' A' ' 84' ' ' ASP . 82.3 mt -61.11 -55.31 33.92 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.171 0.988 . . . . 73.23 112.506 -177.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -61.8 -45.2 94.89 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.018 0.824 . . . . 52.44 111.338 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 35.5 mm-40 -68.13 -46.53 70.63 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.073 0.549 . . . . 73.15 111.856 -177.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.41 ' CD2' HD22 ' A' ' 82' ' ' LEU . 14.4 t80 -66.3 -38.06 86.87 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.608 0.363 . . . . 73.1 111.175 -179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.497 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 29.1 ttpp -67.09 -48.07 69.3 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.8 0.44 . . . . 74.24 111.613 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -65.79 -19.14 65.78 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.477 0.547 . . . . 65.11 112.477 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 10.6 mmpt? -61.89 -51.18 69.21 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 108.976 -0.75 . . . . 73.1 108.976 168.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.451 HG22 ' HB2' ' A' ' 102' ' ' TYR . 17.6 mm -70.51 -34.65 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-N 114.078 -1.419 . . . . 64.43 110.954 -175.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -65.99 -38.41 88.43 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.696 0.799 . . . . 75.32 111.209 172.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.4 t -70.35 -29.52 66.23 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 122.987 0.515 . . . . 71.03 110.527 176.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -77.2 -22.51 52.24 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.733 0.813 . . . . 74.21 110.455 173.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.54 47.41 6.38 Favored Glycine 0 C--N 1.35 1.324 0 CA-C-N 115.994 -0.548 . . . . 74.13 113.0 175.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.451 ' HB2' HG22 ' A' ' 97' ' ' ILE . 79.1 m-85 -112.83 151.01 30.9 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 109.529 -0.545 . . . . 70.31 109.529 173.157 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -65.61 94.17 0.19 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.309 1.044 . . . . 72.24 109.784 175.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.9 p -114.35 150.73 16.27 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 C-N-CA 123.588 0.755 . . . . 74.04 110.134 -177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.522 ' HB3' HD13 ' A' ' 116' ' ' ILE . 26.9 mmm180 -139.22 150.25 45.31 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.41 1.484 . . . . 73.35 108.602 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.497 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 1.4 tmmt? -141.56 143.35 33.69 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.527 0.731 . . . . 71.21 111.277 -175.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.455 HG13 HD11 ' A' ' 116' ' ' ILE . 2.5 m -149.79 158.52 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.957 1.303 . . . . 55.52 109.819 173.067 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.8 m -105.21 -33.64 8.17 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.96 -1.018 . . . . 64.22 109.818 174.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -85.0 143.2 29.08 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.459 0.703 . . . . 64.43 111.323 -177.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.543 ' HB2' HD13 ' A' ' 14' ' ' LEU . 5.0 p-10 -63.75 -45.36 90.16 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.042 1.337 . . . . 61.44 111.983 178.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.74 -34.8 79.18 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.616 1.167 . . . . 64.54 111.544 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -78.21 -23.97 47.25 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.41 -0.814 . . . . 61.44 110.813 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.407 ' HA ' HG21 ' A' ' 107' ' ' VAL . . . -67.34 -38.85 85.53 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.084 0.554 . . . . 75.03 110.817 172.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.483 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 38.8 mt -65.94 -29.82 70.29 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.336 -0.847 . . . . 73.11 110.579 175.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -68.51 -45.13 73.1 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 124.04 0.936 . . . . 71.1 111.308 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.522 HD13 ' HB3' ' A' ' 105' ' ' ARG . 19.7 mt -69.41 -26.4 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 122.916 0.486 . . . . 74.21 111.916 -175.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.25 -38.7 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 CA-C-O 121.188 0.518 . . . . 71.34 109.798 170.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -75.25 -42.4 55.24 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.22 1.008 . . . . 74.23 110.932 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.6 -33.42 73.87 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.572 0.749 . . . . 71.32 112.242 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -54.1 -45.35 71.8 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.893 0.877 . . . . 75.12 111.154 173.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.441 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 17.6 mmt -61.13 -42.19 98.09 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 114.934 -1.03 . . . . 74.05 111.187 -174.095 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 . . . . . 0 CA--C 1.553 1.082 0 C-N-CA 123.094 0.558 . . . . 74.02 111.863 -177.642 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt . . . . . 0 C--O 1.242 0.709 0 CA-C-O 121.542 0.687 . . . . 64.23 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -115.89 161.04 19.37 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-N 114.713 -1.13 . . . . 52.02 108.642 170.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.67 113.16 8.43 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 107.124 -1.435 . . . . 60.1 107.124 176.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.1 tt -107.71 130.07 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.389 0.675 . . . . 70.15 109.854 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mp -106.22 128.41 53.93 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 108.094 -1.076 . . . . 72.31 108.094 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 mp -104.17 142.83 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 106.811 -1.552 . . . . 70.11 106.811 165.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.471 ' CB ' HD11 ' A' ' 64' ' ' LEU . 27.2 t-20 -134.13 123.37 24.31 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.16 -1.052 . . . . 75.03 108.16 163.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.464 ' HA ' ' O ' ' A' ' 83' ' ' GLN . 7.9 t -145.77 129.0 16.72 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.32 -0.992 . . . . 63.13 108.32 167.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -89.49 11.54 19.1 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.824 -0.626 . . . . 62.44 110.113 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -92.92 104.57 16.79 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 107.86 -1.163 . . . . 73.42 107.86 171.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.79 -46.06 85.16 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.277 1.031 . . . . 74.24 111.889 -168.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 11.2 pt-20 -61.15 -39.25 89.37 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.868 -0.605 . . . . 54.23 111.4 -178.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.415 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.3 tp -69.49 -39.35 77.68 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.057 0.543 . . . . 62.21 110.677 -178.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.689 HG23 HG21 ' A' ' 57' ' ' ILE . 66.1 mt -51.2 -49.03 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 CA-C-O 121.236 0.541 . . . . 71.12 110.478 176.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 94.5 mttt -60.93 -39.99 91.51 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.308 -1.315 . . . . 75.22 111.152 -177.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 58.9 mtpt -68.53 -43.68 76.2 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.939 0.775 . . . . 65.12 111.054 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 22' ' ' VAL . 67.9 mt -61.14 -43.15 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 123.94 0.775 . . . . 73.03 109.987 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -49.59 -53.88 21.39 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 123.743 0.652 . . . . 74.55 110.44 174.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 71.4 mmtt -66.83 -34.56 78.07 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.304 0.642 . . . . 71.02 112.168 -173.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 17.0 mm-40 -59.73 -48.22 82.56 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.049 0.54 . . . . 62.35 110.028 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 18' ' ' ILE . 58.4 t -76.25 -32.96 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 C-N-CA 124.829 1.252 . . . . 74.45 111.83 -172.165 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -76.74 -21.33 55.41 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.465 0.706 . . . . 63.32 110.695 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -70.8 -30.04 66.39 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.165 0.586 . . . . 74.14 110.203 169.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.679 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 45.1 mm-40 -83.7 -23.64 31.6 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.981 0.513 . . . . 75.13 110.589 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.97 7.3 57.56 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-N 116.017 -0.538 . . . . 73.41 113.436 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -76.32 163.25 27.19 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.219 0.608 . . . . 73.42 110.851 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -86.37 111.59 20.64 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.852 -0.796 . . . . 61.53 108.852 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.8 t -98.18 124.64 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 109.518 -0.549 . . . . 62.44 109.518 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.86 117.34 23.15 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 108.907 -0.775 . . . . 75.53 108.907 168.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.478 ' HA ' ' O ' ' A' ' 57' ' ' ILE . 7.3 p-10 -90.47 113.35 25.28 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 108.878 -0.786 . . . . 74.52 108.878 171.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.5 HG11 ' HB2' ' A' ' 38' ' ' LEU . 82.7 t -97.56 121.23 47.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 124.019 0.927 . . . . 73.33 109.072 177.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -110.69 -27.7 8.78 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.634 1.173 . . . . 55.44 108.74 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -135.78 154.12 51.32 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.739 1.215 . . . . 72.24 109.108 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.5 m -63.15 -22.05 66.6 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.35 1.06 . . . . 74.14 113.292 -172.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -82.72 -21.02 34.94 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.928 0.491 . . . . 73.31 111.621 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -75.73 -33.88 60.29 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.001 0.52 . . . . 73.34 109.766 171.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.5 ' HB2' HG11 ' A' ' 32' ' ' VAL . 8.4 tp -64.88 -62.0 1.83 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.519 1.128 . . . . 72.32 110.546 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -58.8 -27.11 64.73 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.512 0.725 . . . . 51.11 111.961 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -64.36 -54.9 25.67 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 125.331 1.452 . . . . 75.21 111.144 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -78.49 -27.41 46.21 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.58 -0.737 . . . . 71.41 111.349 -172.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.9 mmt -56.57 -41.86 77.63 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.067 0.947 . . . . 72.5 110.668 173.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -62.7 -44.19 96.88 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 115.594 -0.73 . . . . 74.42 110.752 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -64.62 -31.99 73.46 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.687 0.617 . . . . 63.54 111.162 -177.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.95 -42.24 90.25 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.109 0.564 . . . . 73.21 110.918 174.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.73 -41.03 75.84 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 123.869 0.731 . . . . 71.01 111.153 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.75 -55.22 9.11 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.319 0.648 . . . . 71.11 110.966 -176.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -78.62 115.11 18.1 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.349 -0.982 . . . . 63.22 108.349 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -80.74 -65.23 1.04 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.572 0.582 . . . . 60.14 112.572 -171.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -110.73 96.74 6.36 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 121.903 0.859 . . . . 74.22 111.818 -168.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -152.81 169.37 22.96 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.781 1.632 . . . . 74.13 106.988 167.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.49 -172.67 2.62 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 112.995 0.739 . . . . 75.4 112.995 -170.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -71.29 151.53 44.13 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.833 0.853 . . . . 71.24 110.738 -165.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.1 mp -118.73 141.71 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.53 0.732 . . . . 62.42 109.097 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.414 HD22 HG21 ' A' ' 22' ' ' VAL . 5.5 tt -121.75 112.01 17.85 Favored 'General case' 0 C--O 1.245 0.868 0 C-N-CA 124.357 1.063 . . . . 65.5 109.657 -176.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 32.2 mm -104.8 110.71 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 115.446 -0.797 . . . . 74.23 109.93 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.689 HG21 HG23 ' A' ' 15' ' ' ILE . 54.0 mt -86.96 121.74 38.1 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 N-CA-C 107.399 -1.334 . . . . 62.23 107.399 171.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.5 t -114.13 138.93 49.78 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.734 -1.209 . . . . 75.22 107.734 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -89.28 -5.35 57.65 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.127 0.571 . . . . 61.52 110.463 -176.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -136.7 140.98 43.07 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.844 0.858 . . . . 73.13 110.014 -175.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -85.54 -17.78 35.33 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.215 0.606 . . . . 75.15 112.56 -173.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -76.27 -32.7 58.98 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.36 -0.607 . . . . 71.42 109.36 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.414 HD13 HG12 ' A' ' 32' ' ' VAL . 87.8 mt -66.9 -32.86 74.4 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.569 0.748 . . . . 64.43 110.559 175.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.471 HD11 ' CB ' ' A' ' 8' ' ' ASN . 95.6 mt -58.13 -54.08 50.97 Favored 'General case' 0 C--N 1.359 1.012 0 O-C-N 123.766 0.666 . . . . 75.12 110.441 176.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HE3' ' OE1' ' A' ' 100' ' ' GLN . 21.2 tptm -53.5 -48.69 68.73 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 124.284 0.99 . . . . 72.2 111.19 -173.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -59.35 -46.94 87.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.185 0.994 . . . . 63.43 110.885 177.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 30.2 ttm -63.95 -44.64 92.22 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.964 0.906 . . . . 65.51 111.194 -176.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.427 HD11 HD22 ' A' ' 80' ' ' LEU . 70.6 mt -53.97 -44.46 70.79 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 125.088 1.355 . . . . 53.42 111.075 177.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -67.55 -44.17 78.93 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.159 -0.928 . . . . 72.23 110.822 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.64 -45.99 92.0 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.369 0.668 . . . . 61.21 111.045 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.488 HG22 HG22 ' A' ' 78' ' ' VAL . 96.9 mt -62.7 -30.75 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.435 1.094 . . . . 64.33 111.733 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -62.41 -47.17 85.29 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.532 0.733 . . . . 72.31 111.051 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -6.51 58.53 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 112.172 0.434 . . . . 74.0 112.172 177.095 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.2 mt -74.63 -34.41 62.78 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 108.948 -0.76 . . . . 73.32 108.948 167.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.43 10.49 31.26 Favored Glycine 0 C--N 1.351 1.38 0 CA-C-O 119.61 -0.55 . . . . 73.11 114.313 171.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -83.89 160.37 21.14 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 117.498 0.649 . . . . 72.03 109.793 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -67.32 119.19 11.77 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.212 -1.033 . . . . 74.35 108.212 170.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.488 HG22 HG22 ' A' ' 71' ' ' ILE . 20.3 t -88.33 106.44 16.57 Favored 'Isoleucine or valine' 0 C--O 1.245 0.832 0 N-CA-C 108.234 -1.024 . . . . 74.42 108.234 -175.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -118.55 139.72 51.02 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.155 -1.054 . . . . 75.34 108.155 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.427 HD22 HD11 ' A' ' 68' ' ' LEU . 52.7 tp -135.98 144.77 45.55 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.411 1.085 . . . . 51.13 108.189 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.3 tp -141.93 113.53 7.8 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 106.725 -1.583 . . . . 64.22 106.725 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.431 ' HB2' HD22 ' A' ' 90' ' ' LEU . 1.1 pp -117.67 135.8 53.76 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.542 0.687 . . . . 74.22 111.306 -174.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 9' ' ' THR . 42.4 tp60 -137.8 139.83 40.22 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.795 1.638 . . . . 72.12 108.034 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.445 ' N ' HD11 ' A' ' 90' ' ' LEU . 6.8 t70 -164.14 165.35 22.26 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 107.709 -1.219 . . . . 72.22 107.709 178.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -77.18 -25.73 52.17 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.045 0.45 . . . . 73.31 109.794 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -97.42 98.88 10.32 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.413 1.085 . . . . 73.53 109.476 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -77.33 -22.09 52.38 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.084 0.553 . . . . 71.21 111.728 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -61.68 -42.33 98.78 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 110.053 -0.351 . . . . 74.51 110.053 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.98 -30.51 66.78 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.665 -0.698 . . . . 64.33 111.076 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.445 HD11 ' N ' ' A' ' 84' ' ' ASP . 63.5 mt -64.57 -49.38 71.4 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.656 0.382 . . . . 64.55 111.473 177.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -78.49 -31.06 47.58 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.546 0.529 . . . . 72.34 112.074 -170.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.5 -36.22 73.67 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 109.712 -0.477 . . . . 70.31 109.712 178.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.513 ' O ' HG12 ' A' ' 97' ' ' ILE . 45.2 t80 -69.97 -46.77 64.52 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.57 0.748 . . . . 74.54 109.733 173.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -55.5 -49.29 72.97 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.764 1.226 . . . . 74.3 111.743 -176.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -60.42 -33.89 73.16 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.717 0.807 . . . . 72.02 111.742 -176.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -69.51 -42.3 74.9 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.18 0.592 . . . . 62.24 110.107 177.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 93' ' ' PHE . 37.3 mm -66.1 -37.4 79.7 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.371 0 CA-C-N 115.156 -0.929 . . . . 74.31 110.369 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -65.64 -38.32 89.05 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.803 0.841 . . . . 73.41 111.192 172.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.0 t -69.28 -18.05 63.81 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.889 0.876 . . . . 50.42 111.434 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.462 ' OE1' ' HE3' ' A' ' 65' ' ' LYS . 65.3 mt-30 -97.25 -2.51 42.56 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.105 0.962 . . . . 73.14 111.417 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.45 8.93 70.17 Favored Glycine 0 C--N 1.346 1.105 0 N-CA-C 114.272 0.469 . . . . 53.31 114.272 174.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.449 ' HB2' HG22 ' A' ' 97' ' ' ILE . 23.8 m-85 -84.55 136.12 33.93 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 117.278 0.539 . . . . 73.22 109.665 176.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -76.6 102.46 6.13 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.289 0.635 . . . . 74.23 109.35 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 p -118.53 137.81 51.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.344 0.658 . . . . 72.33 110.368 177.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -113.95 145.12 41.97 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 107.95 -1.13 . . . . 65.03 107.95 174.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -116.58 135.52 53.73 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.263 -0.643 . . . . 75.32 109.263 175.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.421 HG23 ' HB2' ' A' ' 83' ' ' GLN . 17.3 m -124.32 160.62 28.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 C-N-CA 123.983 0.913 . . . . 62.23 109.022 176.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.5 m -117.13 -4.14 11.47 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.54 0.736 . . . . 74.52 110.49 -176.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -148.8 160.26 43.38 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 121.43 0.633 . . . . 72.14 112.091 -172.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -50.04 -59.04 4.28 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.43 1.892 . . . . 61.44 112.458 175.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.51 -20.56 60.63 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.698 0.399 . . . . 75.04 112.016 -171.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.35 -46.68 79.24 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 110.112 -0.329 . . . . 74.24 110.112 170.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.1 -48.13 81.56 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.322 -0.854 . . . . 72.12 110.663 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.6 -41.01 89.32 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.536 0.734 . . . . 65.41 110.851 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -62.56 -53.15 59.03 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 115.464 -0.789 . . . . 73.32 111.39 -178.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 23.7 mt -66.88 -32.6 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 123.019 0.527 . . . . 53.05 111.517 -175.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 25.4 t -55.62 -48.44 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 123.536 0.734 . . . . 74.32 111.049 172.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 -73.9 -42.58 60.47 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.815 -0.63 . . . . 74.4 110.97 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -56.5 -44.54 80.82 Favored 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 123.726 0.81 . . . . 74.22 111.363 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -45.57 -45.26 13.51 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.678 1.191 . . . . 72.42 111.731 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.679 ' SD ' ' HG3' ' A' ' 25' ' ' GLN . 51.0 mtt -66.14 -26.43 67.43 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.371 -1.286 . . . . 71.43 112.622 -170.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 . . . . . 0 N--CA 1.483 1.181 0 C-N-CA 123.09 0.556 . . . . 72.41 110.658 173.685 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt . . . . . 0 C--O 1.237 0.421 0 CA-C-O 121.502 0.668 . . . . 73.32 109.341 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.413 ' H ' ' HB3' ' A' ' 53' ' ' LYS . 1.7 mp0 -128.6 144.47 51.16 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 114.086 -1.415 . . . . 55.23 107.506 177.199 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.521 ' HB2' HG21 ' A' ' 71' ' ' ILE . 4.2 mm? -125.24 112.14 16.06 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 107.863 -1.162 . . . . 72.1 107.863 175.118 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 tt -97.75 124.17 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 108.425 -0.954 . . . . 75.33 108.425 175.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mp -103.18 121.75 43.31 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 107.824 -1.176 . . . . 73.31 107.824 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.564 HG21 HD13 ' A' ' 18' ' ' ILE . 2.2 mp -98.86 138.97 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 108.063 -1.088 . . . . 62.12 108.063 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.629 ' HB2' HD11 ' A' ' 64' ' ' LEU . 7.7 t-20 -123.33 112.87 18.11 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 108.397 -0.964 . . . . 75.51 108.397 176.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.7 HG23 HG12 ' A' ' 15' ' ' ILE . 1.5 t -144.46 131.51 20.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.892 0.745 . . . . 64.4 109.097 175.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -102.55 13.2 35.13 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.192 -0.913 . . . . 73.52 110.765 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.429 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.4 t-20 -109.42 113.73 26.78 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.324 -0.991 . . . . 75.45 108.324 174.176 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.31 -39.71 80.08 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.633 1.173 . . . . 63.11 111.308 -174.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.16 -36.33 77.26 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.68 -1.146 . . . . 72.4 110.913 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 18' ' ' ILE . 26.1 tp -69.55 -37.61 77.11 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 118.923 -0.56 . . . . 73.12 110.185 177.187 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.7 HG12 HG23 ' A' ' 9' ' ' THR . 55.2 mt -53.91 -50.39 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 123.092 0.557 . . . . 72.11 110.452 177.022 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -64.43 -36.05 82.9 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.136 -0.938 . . . . 73.12 111.842 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 55.2 mtpt -65.96 -42.79 89.47 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 123.469 0.481 . . . . 75.23 110.548 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.564 HD13 HG21 ' A' ' 7' ' ' ILE . 87.4 mt -60.33 -43.91 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 124.07 0.856 . . . . 64.52 109.579 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.516 ' HE3' HG22 ' A' ' 15' ' ' ILE . 98.7 mttt -51.89 -42.9 63.06 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 123.827 0.704 . . . . 61.43 111.28 175.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -66.06 -44.26 85.03 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.393 0.677 . . . . 74.55 111.455 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 16.1 mm-40 -59.73 -44.13 93.89 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.554 0.742 . . . . 75.35 110.835 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 18' ' ' ILE . 94.0 t -68.25 -33.88 63.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.869 1.268 . . . . 72.32 111.343 -175.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.23 -26.87 62.19 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.187 0.595 . . . . 71.44 110.782 174.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -79.81 -21.19 44.56 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.382 0.673 . . . . 63.11 110.044 174.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 75.6 mm-40 -87.6 -18.63 29.24 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.387 0.675 . . . . 75.12 109.887 171.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.02 37.7 15.15 Favored Glycine 0 C--N 1.351 1.394 0 C-N-CA 123.515 0.578 . . . . 33.11 113.747 174.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.573 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 5.7 m-85 -107.6 163.0 13.45 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.858 0.863 . . . . 73.22 110.803 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.467 ' HB2' HG23 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -77.72 110.32 12.47 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 107.536 -1.283 . . . . 71.32 107.536 176.656 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -83.58 117.09 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.124 0.569 . . . . 70.31 109.57 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.8 mmm-85 -122.29 141.44 51.52 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 107.887 -1.153 . . . . 75.34 107.887 172.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -128.78 138.51 52.13 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.381 0.672 . . . . 74.52 109.194 171.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.595 HG11 ' HB3' ' A' ' 38' ' ' LEU . 51.2 t -123.31 124.67 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.175 1.39 . . . . 55.45 108.643 -175.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -123.64 9.75 8.99 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.003 0.521 . . . . 73.15 111.274 -178.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -158.91 154.89 26.69 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.51 0.724 . . . . 51.32 109.983 -175.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.2 p -68.29 -25.08 64.97 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.033 0.933 . . . . 75.35 113.173 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -84.11 -26.83 28.63 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 110.046 -0.353 . . . . 74.44 110.046 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -65.09 -36.11 83.27 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.408 0.683 . . . . 75.03 111.95 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.595 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.4 pp -75.92 -45.62 34.26 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.195 0.309 . . . . 74.12 110.945 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 17.4 ptpt -66.74 -33.75 76.32 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 122.698 0.399 . . . . 75.22 111.215 -172.16 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -69.69 -38.23 76.93 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.376 0.67 . . . . 74.23 111.345 -175.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -88.42 -25.29 22.73 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.299 0.64 . . . . 64.15 111.049 -177.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.464 ' SD ' HD12 ' A' ' 45' ' ' LEU . 14.6 mmt -62.96 -28.27 69.97 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 123.761 0.824 . . . . 62.4 111.592 172.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 28.1 mtpp -58.07 -49.19 77.78 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.64 0.776 . . . . 73.51 109.998 171.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -72.11 -27.9 62.94 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.121 -0.945 . . . . 71.12 111.546 -177.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.464 HD12 ' SD ' ' A' ' 42' ' ' MET . 88.4 mt -69.94 -38.81 76.28 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 122.487 0.315 . . . . 72.1 110.259 174.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.3 -39.78 85.99 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.86 0.864 . . . . 50.21 111.599 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -74.25 -55.63 5.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.637 0.775 . . . . 74.45 111.085 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -86.65 93.47 9.23 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.483 -0.78 . . . . 74.12 111.302 -171.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -105.01 3.21 30.34 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.278 1.031 . . . . 72.3 110.775 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -90.41 -2.59 57.96 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.808 0.843 . . . . 44.35 112.524 -170.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -124.21 171.41 9.87 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 122.818 0.447 . . . . 74.41 109.915 176.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.07 169.37 15.12 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.949 0.9 . . . . 54.42 112.894 -173.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.444 ' H ' ' HD3' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -51.76 146.0 8.65 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 113.253 -1.794 . . . . 75.24 113.358 179.177 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.467 HG23 ' HB2' ' A' ' 28' ' ' GLN . 3.7 mp -115.52 148.77 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.9 1.28 . . . . 75.34 108.291 -174.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 tt -106.17 121.36 44.02 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.144 0.578 . . . . 73.4 109.641 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.4 mm -103.35 140.27 22.01 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 C-N-CA 124.203 1.001 . . . . 73.32 109.255 176.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.45 HG21 HG23 ' A' ' 15' ' ' ILE . 61.4 mt -117.32 149.24 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 N-CA-C 107.199 -1.408 . . . . 63.24 107.199 169.135 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.5 t -155.75 124.78 6.13 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 123.788 0.835 . . . . 72.24 109.1 176.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -67.88 -35.98 79.46 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.004 0.921 . . . . 72.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -94.93 142.02 27.96 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.73 0.812 . . . . 64.42 111.327 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HA ' HD12 ' A' ' 64' ' ' LEU . 56.2 mttp -86.08 -27.98 24.36 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.321 1.048 . . . . 61.33 112.505 -173.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -73.8 -29.19 62.03 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.981 -0.377 . . . . 75.34 109.981 177.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.6 mt -66.76 -39.92 88.07 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.052 0.541 . . . . 73.33 109.966 173.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 8' ' ' ASN . 90.0 mt -55.38 -54.47 43.27 Favored 'General case' 0 C--N 1.362 1.13 0 O-C-N 124.271 0.982 . . . . 72.41 110.408 176.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -56.33 -43.86 79.45 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 124.648 1.218 . . . . 72.54 111.464 -172.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -59.74 -50.93 71.91 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.899 -0.592 . . . . 72.21 111.528 173.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.74 -37.76 88.57 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.521 0.563 . . . . 71.34 112.521 -177.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 65.3 mt -57.15 -36.9 71.3 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.709 0.804 . . . . 75.31 110.636 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -74.37 -41.42 61.04 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.19 -0.914 . . . . 74.42 111.52 177.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.55 -52.12 66.53 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.39 0.676 . . . . 71.12 110.816 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.521 HG21 ' HB2' ' A' ' 4' ' ' LEU . 54.9 mt -64.45 -32.86 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 124.389 1.076 . . . . 63.01 110.904 -177.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.9 t -65.94 -45.99 79.78 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.066 -0.97 . . . . 60.31 111.258 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.42 -22.1 57.66 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 119.804 -0.141 . . . . 72.41 111.053 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.3 mt -71.39 -25.76 62.5 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.991 0.516 . . . . 62.11 110.195 170.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.94 12.34 55.49 Favored Glycine 0 C--N 1.343 0.922 0 CA-C-N 116.052 -0.522 . . . . 41.12 113.262 172.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -85.74 158.94 19.9 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 109.868 -0.419 . . . . 63.32 109.868 175.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -74.27 117.03 15.61 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.899 -0.778 . . . . 74.44 108.899 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.1 t -90.45 124.55 43.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 C-N-CA 123.234 0.614 . . . . 75.33 109.406 -175.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -126.18 144.1 50.89 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 107.885 -1.154 . . . . 72.31 107.885 175.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.474 HD11 HD13 ' A' ' 64' ' ' LEU . 52.4 tp -136.1 142.71 44.32 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.651 -0.87 . . . . 73.41 108.651 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.9 tp -142.33 114.43 8.21 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 106.147 -1.797 . . . . 74.45 106.147 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.592 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 1.1 pp -127.44 145.03 50.97 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 112.15 0.426 . . . . 41.43 112.15 -169.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.56 ' HB3' HG23 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -141.68 148.96 39.94 Favored 'General case' 0 C--O 1.246 0.892 0 C-N-CA 123.884 0.874 . . . . 75.12 109.238 174.384 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -164.32 160.99 21.54 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 107.878 -1.156 . . . . 61.45 107.878 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -72.43 -31.22 65.3 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.661 0.384 . . . . 74.11 110.673 177.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -94.24 97.45 10.26 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.742 0.817 . . . . 74.23 109.12 170.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.18 -22.5 62.95 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.916 0.886 . . . . 72.41 111.236 -177.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -63.22 -27.49 69.39 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.706 0.802 . . . . 74.4 111.992 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -78.24 -33.25 49.86 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 120.845 0.355 . . . . 61.44 110.09 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.404 HD22 HD13 ' A' ' 82' ' ' LEU . 87.7 mt -67.97 -39.55 83.31 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.994 0.918 . . . . 62.34 111.907 -178.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -66.57 -39.1 88.3 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.583 0.353 . . . . 63.01 110.83 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 51.8 mm-40 -72.68 -39.65 66.91 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.5 0.72 . . . . 72.34 111.822 -176.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.486 ' O ' HG12 ' A' ' 97' ' ' ILE . 2.3 t80 -67.32 -47.04 71.7 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 109.545 -0.539 . . . . 73.21 109.545 176.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 27.2 ttpp -58.52 -50.31 74.23 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.911 0.885 . . . . 71.12 112.664 -176.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -62.58 -21.86 65.92 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 112.847 0.684 . . . . 73.14 112.847 -175.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 42.3 mmtm -68.53 -52.06 36.11 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 109.025 -0.731 . . . . 70.14 109.025 170.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 93' ' ' PHE . 29.3 mm -67.72 -35.77 73.77 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.216 0 CA-C-N 114.37 -1.286 . . . . 71.0 111.513 -170.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -55.43 -51.28 67.42 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 123.724 0.809 . . . . 74.55 111.299 170.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.0 t -64.67 -31.74 73.1 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.626 -1.17 . . . . 71.43 111.043 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -80.41 5.09 15.99 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.694 0.798 . . . . 60.41 111.763 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.53 0.29 82.23 Favored Glycine 0 C--N 1.355 1.634 0 C-N-CA 123.089 0.376 . . . . 74.43 114.016 169.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.451 ' HB2' HG22 ' A' ' 97' ' ' ILE . 6.0 m-85 -90.8 149.23 22.06 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 109.316 -0.624 . . . . 74.1 109.316 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -83.84 126.69 33.2 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.707 -0.849 . . . . 73.32 108.707 174.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.403 HG22 ' HG3' ' A' ' 94' ' ' LYS . 3.8 p -137.78 142.96 34.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 C-N-CA 123.245 0.618 . . . . 75.1 110.148 -176.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.514 ' HA ' ' HE ' ' A' ' 105' ' ' ARG . 1.6 mmp_? -130.66 126.99 38.0 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 124.07 0.948 . . . . 75.04 109.654 -174.101 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.535 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 25.6 ttmt -92.92 136.04 33.61 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.054 0.541 . . . . 72.32 110.147 174.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.56 HG23 ' HB3' ' A' ' 83' ' ' GLN . 34.1 m -140.22 171.86 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.303 1.041 . . . . 73.32 108.286 167.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.4 m -137.91 -38.48 0.57 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.371 0.669 . . . . 62.44 109.445 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.452 ' HB2' ' HG2' ' A' ' 112' ' ' GLU . 15.4 m-20 -83.09 156.63 23.21 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 115.631 -0.713 . . . . 52.35 111.499 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -54.45 -55.1 32.28 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 113.752 -1.567 . . . . 63.32 110.47 170.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -58.26 -40.83 82.85 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.679 -1.146 . . . . 71.3 111.862 -175.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.629 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 33.4 mm-40 -66.21 -35.78 81.33 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.758 0.823 . . . . 74.43 111.226 -177.101 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -65.35 -46.43 80.25 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.661 -0.7 . . . . 63.42 110.982 177.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.472 HD22 ' HG3' ' A' ' 21' ' ' GLU . 35.1 mt -67.68 -27.63 67.0 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.317 0.647 . . . . 54.01 111.334 -177.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.629 ' HD3' ' HA ' ' A' ' 112' ' ' GLU . 25.1 mtpp -65.22 -58.67 5.38 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.753 0.821 . . . . 74.21 111.002 176.652 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 14.8 mt -67.53 -23.34 29.72 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.223 0 N-CA-C 112.578 0.584 . . . . 75.22 112.578 -170.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 113' ' ' ALA . 70.0 t -48.46 -44.35 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 C-N-CA 123.215 0.606 . . . . 74.14 110.515 167.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -69.61 -46.33 66.52 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.409 0.684 . . . . 74.52 110.762 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.25 -35.02 71.12 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.086 0.555 . . . . 73.05 112.035 -177.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.644 ' HD2' ' SD ' ' A' ' 121' ' ' MET . 59.7 t80 -54.66 -47.03 74.07 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.223 0.609 . . . . 74.21 111.308 171.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.644 ' SD ' ' HD2' ' A' ' 120' ' ' PHE . 8.8 mmt -58.22 -29.79 65.98 Favored 'General case' 0 N--CA 1.483 1.175 0 O-C-N 124.369 1.043 . . . . 74.43 112.401 -171.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 . . . . . 0 CA--C 1.558 1.28 0 C-N-CA 123.356 0.662 . . . . 73.41 112.17 177.652 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt . . . . . 0 N--CA 1.463 0.177 0 N-CA-C 106.417 -1.697 . . . . 73.02 106.417 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.624 ' HA ' ' HB3' ' A' ' 77' ' ' LYS . 3.9 mm-40 -82.04 141.51 33.13 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.137 0.575 . . . . 53.24 111.252 -163.115 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -126.91 114.49 17.94 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.077 0.551 . . . . 71.02 110.025 -176.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.8 tt -108.43 125.05 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.733 0.813 . . . . 74.15 109.213 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -110.09 118.63 36.9 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 108.287 -1.005 . . . . 74.11 108.287 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.45 HG21 HD13 ' A' ' 18' ' ' ILE . 2.6 mp -98.72 127.24 51.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 108.746 -0.835 . . . . 72.43 108.746 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.525 ' HB3' ' HA ' ' A' ' 82' ' ' LEU . 4.8 t-20 -101.83 112.59 25.25 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 106.964 -1.495 . . . . 74.22 106.964 173.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.522 HG23 HG12 ' A' ' 15' ' ' ILE . 1.7 t -144.15 119.43 10.2 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.401 0.619 . . . . 44.11 109.967 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -92.89 7.35 44.27 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 114.891 -1.049 . . . . 71.51 110.421 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.497 ' ND2' ' HB2' ' A' ' 14' ' ' LEU . 42.1 t30 -104.65 107.23 18.07 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.797 0.839 . . . . 63.0 109.302 178.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -60.86 -44.45 96.99 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.09 0.956 . . . . 65.22 112.682 -171.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -32.46 74.14 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 123.446 0.466 . . . . 74.11 110.553 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.497 ' HB2' ' ND2' ' A' ' 11' ' ' ASN . 32.9 tp -68.18 -42.88 79.29 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 123.442 0.464 . . . . 60.33 110.249 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.534 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 54.0 mt -52.75 -46.53 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 124.289 0.993 . . . . 74.04 110.274 178.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -59.49 -46.72 87.99 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 124.356 1.035 . . . . 74.14 110.51 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 43.8 mtpt -64.19 -40.08 95.35 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 114.811 -1.086 . . . . 72.42 111.594 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.527 ' O ' HG23 ' A' ' 22' ' ' VAL . 96.1 mt -60.41 -48.38 88.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 O-C-N 123.833 0.708 . . . . 74.21 109.28 178.123 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.61 ' HG2' HG11 ' A' ' 29' ' ' VAL . 86.3 mttt -52.52 -46.87 66.88 Favored 'General case' 0 C--N 1.359 0.994 0 O-C-N 124.144 0.902 . . . . 73.44 111.071 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -64.4 -41.45 96.65 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 124.257 0.973 . . . . 72.13 111.5 -177.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 31.2 mm-40 -63.72 -45.54 89.48 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.13 0.491 . . . . 75.24 111.459 177.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 18' ' ' ILE . 98.1 t -71.18 -36.08 60.96 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 124.193 0.997 . . . . 74.13 111.365 -173.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.88 -27.64 63.97 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.352 0.661 . . . . 73.34 110.986 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -69.84 -34.87 74.21 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.903 0.481 . . . . 74.14 110.056 172.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 12.0 mm-40 -79.75 -22.2 43.54 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.183 0.593 . . . . 71.25 110.711 178.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.8 36.85 7.1 Favored Glycine 0 C--N 1.348 1.247 0 CA-C-N 116.366 -0.379 . . . . 64.23 113.797 174.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.452 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 0.7 OUTLIER -107.2 154.98 20.41 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 108.543 -0.91 . . . . 52.2 108.543 174.59 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.464 ' HB2' HG23 ' A' ' 54' ' ' ILE . 1.8 mp0 -79.61 113.87 18.1 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.982 -0.747 . . . . 75.14 108.982 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.61 HG11 ' HG2' ' A' ' 19' ' ' LYS . 21.6 t -88.75 104.5 14.87 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 N-CA-C 109.788 -0.449 . . . . 74.53 109.788 177.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.75 104.84 12.36 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 107.803 -1.184 . . . . 61.54 107.803 176.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -100.1 144.44 29.13 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 109.511 -0.552 . . . . 52.52 109.511 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.494 HG11 ' HB3' ' A' ' 38' ' ' LEU . 98.5 t -115.63 120.9 66.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 124.124 0.97 . . . . 74.24 109.766 -173.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -114.6 -8.56 12.71 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.727 0.811 . . . . 75.31 109.958 174.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -138.3 151.01 47.19 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.632 0.773 . . . . 73.32 111.176 -169.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.0 p -65.94 -35.27 80.15 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.759 1.224 . . . . 71.11 113.047 -177.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.486 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 19.1 m-20 -87.89 -20.14 26.4 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.171 0.588 . . . . 63.21 109.812 -175.13 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.511 ' HA ' ' HE3' ' A' ' 40' ' ' LYS . 4.7 tp10 -68.12 -42.66 79.88 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.526 1.13 . . . . 73.54 110.753 172.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.494 ' HB3' HG11 ' A' ' 32' ' ' VAL . 2.4 pp -64.13 -43.26 95.8 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-N 117.832 0.287 . . . . 72.04 110.494 -175.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.486 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 18.6 ptpt -68.61 -34.31 75.54 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.135 0.574 . . . . 73.22 111.562 -171.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.511 ' HE3' ' HA ' ' A' ' 37' ' ' GLU . 20.6 pttp -77.74 -30.04 51.39 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.307 -0.406 . . . . 73.34 110.554 -176.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -82.4 -25.48 33.69 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.829 0.452 . . . . 71.23 111.579 176.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 31.4 mmt -65.77 -33.13 75.17 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.572 0.349 . . . . 71.43 110.322 170.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 27.2 mtpp -68.13 -42.04 80.77 Favored 'General case' 0 C--O 1.207 -1.134 0 CA-C-N 116.028 -0.533 . . . . 71.35 109.981 173.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -52.7 -34.19 51.12 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 123.532 0.733 . . . . 71.35 112.521 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.6 mt -67.26 -37.1 82.92 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.155 0.582 . . . . 74.21 111.415 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.94 -54.27 5.46 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.05 0.94 . . . . 71.13 111.495 -176.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 12.0 mm-40 -60.81 -44.98 96.15 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.11 0.964 . . . . 74.42 110.329 -175.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -95.49 114.5 26.27 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 107.671 -1.233 . . . . 74.15 107.671 175.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -104.45 -49.35 3.58 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.555 0.342 . . . . 62.35 111.812 -174.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -74.22 -14.22 60.9 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 113.434 0.901 . . . . 42.44 113.434 -165.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -73.25 153.67 40.52 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 117.987 0.358 . . . . 74.21 110.051 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.52 171.16 2.7 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.933 0.893 . . . . 73.14 111.942 -177.322 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -63.5 147.74 50.55 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.305 -0.861 . . . . 71.32 112.364 -173.569 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.464 HG23 ' HB2' ' A' ' 28' ' ' GLN . 3.8 mp -111.17 145.07 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 114.82 -1.082 . . . . 72.03 109.638 -166.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.413 HD22 HG21 ' A' ' 22' ' ' VAL . 2.3 tt -107.72 113.73 27.19 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.519 0.727 . . . . 70.33 109.093 173.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.6 mm -96.56 139.18 19.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 108.422 -0.955 . . . . 64.5 108.422 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.6 mt -119.31 152.85 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 107.508 -1.293 . . . . 51.51 107.508 167.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.2 t -150.93 151.27 31.92 Favored 'General case' 0 C--O 1.244 0.777 0 C-N-CA 123.135 0.574 . . . . 75.25 109.919 172.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -72.68 -62.15 1.55 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 114.849 -1.068 . . . . 72.02 110.089 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -102.45 152.25 21.35 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.195 -0.911 . . . . 71.11 110.344 -169.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.569 ' HA ' HD12 ' A' ' 64' ' ' LEU . 64.2 mttp -74.81 -16.75 60.69 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.949 0.9 . . . . 64.41 113.18 -175.139 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -71.01 -37.68 72.65 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.91 0.386 . . . . 73.35 110.421 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.48 HD13 HG12 ' A' ' 32' ' ' VAL . 44.5 mt -67.73 -41.15 83.91 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 115.234 -0.894 . . . . 41.43 108.718 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.608 HD13 HD11 ' A' ' 80' ' ' LEU . 94.8 mt -56.66 -53.21 60.31 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 114.365 -1.289 . . . . 44.15 111.174 175.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -50.47 -48.17 56.72 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 124.447 1.092 . . . . 72.54 111.628 -173.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -61.45 -51.69 67.66 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 123.999 0.812 . . . . 74.43 111.354 175.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 79.0 mtm -61.87 -39.64 92.6 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 123.559 0.537 . . . . 74.11 112.445 -174.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 64.5 mt -56.75 -40.1 75.18 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.148 0.979 . . . . 75.13 111.574 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.74 -32.13 41.07 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 114.992 -1.004 . . . . 65.11 111.006 -176.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 97.2 mt -69.53 -42.65 74.37 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.919 -0.582 . . . . 64.34 110.512 176.114 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.473 HG23 ' HB2' ' A' ' 76' ' ' TYR . 96.7 mt -65.47 -33.3 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.928 0.891 . . . . 64.15 110.465 175.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.3 t -66.0 -43.69 86.99 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.317 -0.856 . . . . 71.31 111.107 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -20.05 59.1 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 111.361 0.134 . . . . 63.32 111.361 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 95.6 mt -74.07 -30.03 62.18 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 109.446 -0.575 . . . . 71.31 109.446 171.241 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.94 17.31 30.5 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.331 -0.849 . . . . 54.12 112.57 174.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.473 ' HB2' HG23 ' A' ' 71' ' ' ILE . 20.3 m-85 -88.07 166.88 14.12 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.458 0.703 . . . . 71.13 110.748 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.624 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -67.05 114.44 5.83 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.09 -0.959 . . . . 61.41 109.398 174.628 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.7 t -90.55 106.5 17.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 108.38 -0.97 . . . . 74.31 108.38 174.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -119.48 134.78 55.06 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 106.492 -1.67 . . . . 74.15 106.492 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.608 HD11 HD13 ' A' ' 64' ' ' LEU . 58.9 tp -133.95 102.45 5.43 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 109.434 -0.58 . . . . 72.03 109.434 -176.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.2 tp -94.08 112.27 24.08 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 107.753 -1.203 . . . . 74.4 107.753 172.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.525 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 0.8 OUTLIER -113.03 137.33 51.58 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.19 0.45 . . . . 61.13 110.853 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.59 133.69 29.44 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 123.794 0.838 . . . . 73.42 109.441 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.438 ' H ' HD11 ' A' ' 90' ' ' LEU . 3.5 m-20 -154.8 164.41 38.85 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 124.986 1.314 . . . . 50.21 108.246 174.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -81.31 -13.33 58.52 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.539 -0.755 . . . . 63.31 110.143 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -108.17 116.39 31.87 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.768 0.827 . . . . 71.41 108.85 170.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.472 ' HG3' ' HD3' ' A' ' 106' ' ' LYS . 43.1 tt0 -77.27 -23.65 51.16 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.958 0.903 . . . . 75.23 111.663 -177.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -64.2 -40.11 95.4 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 122.699 0.4 . . . . 71.23 110.193 -176.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.63 -37.03 79.41 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.089 0.956 . . . . 72.04 110.949 176.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.438 HD11 ' H ' ' A' ' 84' ' ' ASP . 92.7 mt -62.59 -47.13 85.16 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.883 -0.598 . . . . 63.01 111.111 177.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.411 ' HB3' ' NZ ' ' A' ' 106' ' ' LYS . 12.8 pt-20 -82.17 -28.62 31.98 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 118.701 -0.666 . . . . 75.53 112.466 -170.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.67 -42.02 74.74 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 118.314 0.506 . . . . 61.43 110.163 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.472 ' O ' HG12 ' A' ' 97' ' ' ILE . 41.8 t80 -73.25 -43.25 61.47 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 115.898 -0.592 . . . . 55.41 109.788 177.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 56.3 tttp -56.6 -47.11 80.31 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 118.98 -0.533 . . . . 73.14 111.612 178.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -68.02 -26.13 65.73 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 123.276 0.36 . . . . 73.21 111.866 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.456 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -66.38 -48.28 70.65 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.354 -0.61 . . . . 73.11 109.354 170.005 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 93' ' ' PHE . 47.7 mm -67.88 -28.64 42.14 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.163 0 C-N-CA 124.07 0.948 . . . . 74.01 111.808 -177.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 63.4 mm-40 -58.38 -47.87 82.47 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.817 0.847 . . . . 70.14 110.18 167.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.1 t -70.05 -30.87 68.25 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.096 -0.956 . . . . 61.33 110.995 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 87.7 mm-40 -75.91 -20.82 57.7 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.651 0.78 . . . . 74.22 110.317 176.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.79 39.82 10.12 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 123.498 0.499 . . . . 72.01 113.6 173.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -114.34 149.8 35.5 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.272 -0.64 . . . . 72.15 109.272 174.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -67.77 116.15 8.13 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.547 0.739 . . . . 73.51 109.419 175.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.2 p -137.18 126.21 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 123.333 0.653 . . . . 75.21 110.935 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -110.97 144.03 40.71 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.206 1.003 . . . . 72.35 109.238 177.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.474 ' HA ' HD12 ' A' ' 82' ' ' LEU . 32.1 ttmt -111.8 141.44 45.43 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.222 0.609 . . . . 73.55 110.492 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.1 m -144.71 125.59 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.117 0.967 . . . . 64.41 108.897 168.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.5 m -77.75 -29.77 51.23 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 121.532 0.682 . . . . 64.21 109.658 172.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -83.5 135.89 34.49 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 114.993 -1.003 . . . . 54.52 110.224 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.13 -35.31 74.0 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.025 0.93 . . . . 70.12 111.317 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.7 -34.67 74.23 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.333 0.653 . . . . 73.22 111.126 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -74.56 -23.85 58.84 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.213 0.605 . . . . 74.34 111.093 177.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.99 97.89 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.533 0.521 . . . . 74.42 110.319 171.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.472 ' O ' ' HD3' ' A' ' 118' ' ' ARG . 96.1 mt -61.76 -42.19 98.66 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 115.897 -0.592 . . . . 73.13 109.99 175.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -58.46 -48.58 80.28 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.293 0.637 . . . . 73.05 111.361 -176.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.4 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 37.2 mt -71.89 -25.51 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 O-C-N 123.643 0.589 . . . . 61.33 111.608 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 38.0 t -59.19 -48.84 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 122.601 0.36 . . . . 74.22 110.077 170.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.472 ' HD3' ' O ' ' A' ' 114' ' ' LEU . 1.1 mpt_? -69.04 -37.18 78.45 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 116.544 -0.298 . . . . 75.44 110.78 177.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.4 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 44.2 mt-10 -60.63 -38.02 83.39 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 119.071 -0.49 . . . . 60.41 111.571 175.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -57.27 -31.43 65.59 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.504 0.322 . . . . 75.23 111.021 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.434 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 14.7 mmt -62.45 -26.96 68.79 Favored 'General case' 0 CA--C 1.559 1.327 0 C-N-CA 122.899 0.48 . . . . 62.04 111.805 -178.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 . . . . . 0 N--CA 1.492 1.668 0 C-N-CA 123.255 0.622 . . . . 61.14 111.959 173.192 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.386 -0.598 . . . . 74.35 109.386 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.63 ' HG3' ' HB3' ' A' ' 77' ' ' LYS . 14.5 mp0 -124.03 149.38 46.14 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.921 0.889 . . . . 62.13 109.16 174.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.494 ' HB2' HG21 ' A' ' 71' ' ' ILE . 4.2 mm? -128.62 112.55 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.512 -0.921 . . . . 73.0 108.512 175.317 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.4 tt -97.89 122.06 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 108.632 -0.877 . . . . 42.23 108.632 174.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.474 ' HB3' HD22 ' A' ' 64' ' ' LEU . 6.1 mp -105.63 121.36 43.83 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.314 -0.995 . . . . 75.3 108.314 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.683 HG21 HD13 ' A' ' 18' ' ' ILE . 2.2 mp -98.78 138.41 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 108.859 -0.793 . . . . 73.23 108.859 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.591 ' HB2' HD11 ' A' ' 64' ' ' LEU . 59.2 t30 -125.62 129.46 49.68 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 107.176 -1.416 . . . . 75.43 107.176 171.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -146.64 145.0 29.9 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 122.714 0.405 . . . . 61.14 111.045 -176.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.41 ' HB2' ' HA ' ' A' ' 84' ' ' ASP . 24.2 t-20 -82.38 -27.12 32.3 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.198 0.999 . . . . 74.13 110.816 176.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.413 HD22 ' HB2' ' A' ' 14' ' ' LEU . 49.0 t30 -100.97 119.12 38.26 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.644 0.778 . . . . 61.33 110.974 -170.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -68.65 -33.66 74.38 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.908 0.883 . . . . 53.14 111.465 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -63.34 -35.71 81.27 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.569 0.748 . . . . 72.34 109.91 176.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.559 HD13 ' HB3' ' A' ' 110' ' ' ASP . 45.2 tp -70.37 -41.33 73.25 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.527 -0.749 . . . . 62.4 110.236 177.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.535 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 61.0 mt -50.83 -44.91 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 124.007 0.817 . . . . 75.21 110.428 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -61.07 -48.02 83.67 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 124.242 0.964 . . . . 75.23 110.844 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.612 ' HE2' HD11 ' A' ' 114' ' ' LEU . 51.7 mtpt -62.52 -37.19 85.1 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.059 0.944 . . . . 54.13 111.717 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.683 HD13 HG21 ' A' ' 7' ' ' ILE . 95.1 mt -63.08 -48.51 87.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 123.809 0.844 . . . . 73.5 109.054 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 94.5 mttt -50.86 -43.28 59.31 Favored 'General case' 0 C--N 1.361 1.106 0 O-C-N 124.507 1.13 . . . . 61.03 110.736 178.11 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -71.77 -31.7 66.9 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.058 -0.974 . . . . 54.04 111.814 -177.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.529 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 24.8 mm-40 -66.09 -37.52 85.98 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.645 0.378 . . . . 70.14 110.243 172.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.648 HG21 HD22 ' A' ' 55' ' ' LEU . 20.9 t -70.93 -29.4 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.659 0.784 . . . . 72.41 110.201 178.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 18.2 mm-40 -67.05 -36.43 82.04 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.284 0.633 . . . . 75.24 109.994 173.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -65.58 -29.02 69.57 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.196 0.599 . . . . 74.2 110.409 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 51.2 mm-40 -94.08 -19.92 20.4 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.33 0.652 . . . . 75.52 111.31 -177.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.44 30.09 50.68 Favored Glycine 0 CA--C 1.532 1.144 0 N-CA-C 114.044 0.378 . . . . 64.05 114.044 178.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.416 ' OH ' ' HE2' ' A' ' 53' ' ' LYS . 2.2 m-30 -99.59 168.41 9.97 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.34 0.656 . . . . 65.35 109.888 178.018 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -83.5 114.67 21.65 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.255 0.622 . . . . 73.01 109.936 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.419 HG11 ' HG2' ' A' ' 19' ' ' LYS . 45.2 t -79.22 109.99 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 109.566 -0.531 . . . . 74.43 109.566 172.325 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -120.34 106.71 12.13 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 108.703 -0.851 . . . . 74.25 108.703 172.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -102.86 140.32 37.29 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.419 0.688 . . . . 54.21 109.403 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.56 HG11 ' HB3' ' A' ' 38' ' ' LEU . 75.8 t -134.6 122.39 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.352 1.061 . . . . 64.14 109.093 -173.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -121.77 9.71 10.15 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.08 0.952 . . . . 74.24 109.923 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -145.33 144.35 30.67 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.437 0.695 . . . . 73.14 110.387 -170.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.0 m -67.46 -30.19 69.84 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.093 0.957 . . . . 51.11 112.849 -174.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 28.8 t70 -78.27 -32.33 49.49 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.115 0.566 . . . . 73.23 110.458 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 32.6 mm-40 -66.79 -38.12 85.9 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 112.232 0.456 . . . . 74.41 112.232 -178.164 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.56 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.7 pp -65.47 -39.72 92.29 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 111.756 0.28 . . . . 62.45 111.756 -175.276 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 17.7 ptpt -70.24 -26.92 64.06 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 123.349 0.406 . . . . 74.13 110.045 -176.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.472 ' HD3' ' HA ' ' A' ' 37' ' ' GLU . 53.5 mtpt -70.81 -39.97 72.76 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.252 1.021 . . . . 64.34 110.897 173.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 6.2 mm-40 -68.0 -41.31 82.45 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.947 0.499 . . . . 71.55 110.707 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.7 mmt -58.82 -38.51 78.82 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 123.731 0.644 . . . . 72.43 110.75 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 98.6 mttt -60.58 -45.41 94.03 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 123.977 0.798 . . . . 74.14 110.267 177.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -69.31 -22.71 63.77 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.011 0.745 . . . . 63.41 113.011 -176.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.2 mt -70.21 -34.71 73.25 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 122.903 0.481 . . . . 74.23 111.299 175.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.67 -43.14 14.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.201 0.601 . . . . 52.43 110.695 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -59.35 -48.34 82.02 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.164 0.986 . . . . 75.25 110.379 176.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -108.22 99.98 9.34 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.98 0.912 . . . . 74.23 108.779 177.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -105.41 -31.27 9.1 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.619 0.768 . . . . 64.35 111.513 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -85.59 71.72 10.7 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.732 0.813 . . . . 63.04 111.487 -165.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.411 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 1.3 p90 -175.45 -178.02 1.08 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.743 1.217 . . . . 71.05 109.732 175.382 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.29 -175.32 0.34 Allowed 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.624 0.726 . . . . 73.11 111.778 175.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.555 ' H ' ' HD3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -93.37 154.2 18.1 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.561 -0.745 . . . . 61.51 111.649 -168.535 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 54' ' ' ILE . 3.7 mp -107.84 141.69 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 114.44 -1.255 . . . . 53.53 109.348 -168.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.648 HD22 HG21 ' A' ' 22' ' ' VAL . 6.5 tt -103.11 117.45 34.59 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.336 0.654 . . . . 64.44 109.311 177.114 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.1 mm -98.68 139.63 20.17 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 124.108 0.963 . . . . 74.32 109.319 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.1 mt -120.18 141.68 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 N-CA-C 107.48 -1.304 . . . . 74.32 107.48 168.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.7 t -156.89 137.96 13.59 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.666 0.786 . . . . 62.31 109.849 172.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -96.16 13.67 26.55 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.607 0.763 . . . . 61.0 112.33 -171.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -139.48 134.17 31.91 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.855 0.462 . . . . 73.21 110.188 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.586 ' HA ' HD12 ' A' ' 64' ' ' LEU . 70.9 mttt -72.14 -26.75 62.23 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.197 0.999 . . . . 74.15 112.426 -172.467 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -76.7 -31.85 57.48 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 110.142 -0.318 . . . . 52.32 110.142 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.3 mt -68.24 -46.04 71.58 Favored 'General case' 0 C--N 1.356 0.869 0 N-CA-C 108.965 -0.754 . . . . 61.32 108.965 174.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.591 HD11 ' HB2' ' A' ' 8' ' ' ASN . 91.9 mt -53.5 -52.36 59.84 Favored 'General case' 0 C--N 1.363 1.168 0 CA-C-N 114.562 -1.199 . . . . 51.31 110.062 174.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 14.6 tppt? -57.83 -48.62 79.22 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.351 1.06 . . . . 72.51 111.301 -174.089 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -55.22 -48.07 74.42 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 123.872 0.732 . . . . 63.01 110.811 177.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 78.9 mtm -63.84 -44.67 92.5 Favored 'General case' 0 CA--C 1.55 0.949 0 O-C-N 123.835 0.71 . . . . 64.01 111.731 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 83.6 mt -54.3 -39.92 67.44 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 124.371 1.068 . . . . 74.22 111.437 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 13.9 mm-40 -73.14 -42.94 62.3 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.862 0.726 . . . . 73.4 110.812 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 98.8 mt -64.22 -42.69 96.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.006 0.522 . . . . 54.41 111.662 -178.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.494 HG21 ' HB2' ' A' ' 4' ' ' LEU . 49.5 mt -66.97 -32.62 58.83 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 124.194 0.998 . . . . 74.21 110.472 177.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.4 t -65.05 -42.99 93.77 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.98 0.912 . . . . 45.51 110.774 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -16.22 43.19 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.743 0.417 . . . . 73.21 111.435 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.5 mt -71.92 -27.24 62.68 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 109.482 -0.562 . . . . 75.0 109.482 168.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.68 12.42 55.71 Favored Glycine 0 C--N 1.346 1.107 0 CA-C-N 115.714 -0.676 . . . . 71.14 112.698 174.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -83.4 156.36 23.0 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 123.273 0.629 . . . . 73.13 109.698 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.63 ' HB3' ' HG3' ' A' ' 3' ' ' GLU . 7.4 ttpm? -83.48 118.33 23.68 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.656 -0.868 . . . . 72.23 108.656 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.403 HG22 HG22 ' A' ' 71' ' ' ILE . 20.5 t -92.62 137.78 21.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 115.405 -0.816 . . . . 71.15 110.745 -169.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -132.36 141.54 48.96 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 107.151 -1.426 . . . . 64.01 107.151 174.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.8 tp -131.22 142.08 50.12 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 107.861 -1.163 . . . . 64.25 107.861 174.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.6 tp -142.29 113.78 7.83 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 106.848 -1.538 . . . . 75.52 106.848 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.414 HD13 ' HD2' ' A' ' 93' ' ' PHE . 2.0 pt? -126.64 143.73 51.13 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.009 0.433 . . . . 63.33 111.183 -176.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.9 149.62 33.6 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.731 1.212 . . . . 64.24 108.388 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.46 ' HB2' HD21 ' A' ' 90' ' ' LEU . 8.5 t70 -163.96 170.81 16.15 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 107.405 -1.331 . . . . 72.42 107.405 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -76.93 -17.54 58.84 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.72 0.408 . . . . 71.02 110.618 174.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -113.6 123.98 51.25 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.303 0.641 . . . . 54.44 109.673 175.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.449 ' HA ' HD12 ' A' ' 90' ' ' LEU . 42.4 tt0 -79.2 -24.88 42.86 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.642 0.777 . . . . 74.35 111.772 -175.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.447 ' HA ' ' HG2' ' A' ' 91' ' ' GLU . 4.6 m-20 -67.04 -39.63 87.0 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 118.115 0.416 . . . . 63.43 110.765 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -58.07 -33.7 69.34 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.801 0.84 . . . . 60.25 112.106 174.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' ' 84' ' ' ASP . 76.5 mt -81.83 -51.03 8.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.844 -1.071 . . . . 63.14 111.634 -175.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.447 ' HG2' ' HA ' ' A' ' 88' ' ' ASN . 13.0 pt-20 -65.89 -30.41 71.01 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.978 0.799 . . . . 64.14 111.172 -171.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.48 -38.89 65.24 Favored 'General case' 0 C--N 1.358 0.937 0 O-C-N 123.624 0.577 . . . . 74.13 110.999 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.537 ' O ' HG12 ' A' ' 97' ' ' ILE . 11.7 t80 -71.62 -48.5 47.58 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 108.877 -0.786 . . . . 63.51 108.877 175.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -54.79 -49.68 70.37 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.687 1.195 . . . . 61.41 112.145 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -25.99 68.26 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 123.758 0.661 . . . . 71.0 111.709 -175.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -72.4 -47.72 47.08 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.869 0.467 . . . . 62.12 110.002 172.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.537 HG12 ' O ' ' A' ' 93' ' ' PHE . 50.8 mm -65.04 -38.07 81.85 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 C-N-CA 123.972 0.909 . . . . 73.05 111.348 -173.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -30.52 65.99 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.657 0.383 . . . . 71.41 111.364 174.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.5 m -70.22 -25.26 63.31 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.54 0.336 . . . . 61.04 110.966 173.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -93.75 9.53 36.72 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.958 0.903 . . . . 73.42 112.035 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.35 23.01 66.4 Favored Glycine 0 C--N 1.352 1.428 0 N-CA-C 114.235 0.454 . . . . 35.31 114.235 170.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.463 ' HB2' HG22 ' A' ' 97' ' ' ILE . 64.7 m-85 -101.6 150.58 22.94 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.002 0.521 . . . . 64.13 109.75 174.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -77.54 121.64 24.16 Favored 'General case' 0 C--N 1.347 0.478 0 N-CA-C 108.142 -1.058 . . . . 73.54 108.142 169.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.0 138.88 43.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 123.342 0.657 . . . . 74.5 110.24 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -129.07 122.97 31.08 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.898 0.879 . . . . 60.22 109.122 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.96 126.78 51.34 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.084 0.953 . . . . 60.21 108.967 177.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.4 m -130.02 179.03 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 123.984 0.914 . . . . 75.1 108.604 172.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.5 m -137.22 -38.6 0.61 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.888 -0.782 . . . . 75.12 108.888 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.472 ' HB3' ' HG2' ' A' ' 111' ' ' GLU . 11.4 m-20 -72.3 137.19 46.53 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.532 -0.758 . . . . 74.51 109.74 176.371 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.559 ' HB3' HD13 ' A' ' 14' ' ' LEU . 6.4 m-20 -59.97 -36.63 77.55 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.496 1.119 . . . . 61.02 111.044 175.2 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' A' ' 109' ' ' ASP . 13.6 pt-20 -65.29 -45.02 86.09 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.852 0.861 . . . . 74.22 110.815 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -70.19 -23.91 63.04 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.666 0.386 . . . . 63.4 111.107 -178.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -68.18 -47.04 69.04 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.826 0.45 . . . . 72.51 110.523 173.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.612 HD11 ' HE2' ' A' ' 17' ' ' LYS . 83.2 mt -67.18 -29.96 69.78 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.35 0.66 . . . . 74.13 111.224 177.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -71.1 -38.21 72.36 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.237 1.015 . . . . 72.43 111.01 -176.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 20.5 mt -78.84 -22.62 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 C-N-CA 123.519 0.728 . . . . 43.23 111.504 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.466 ' O ' ' HG2' ' A' ' 121' ' ' MET . 88.3 t -50.62 -40.69 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 109.899 -0.408 . . . . 64.32 109.899 166.257 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -70.87 -42.49 69.98 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.224 0.609 . . . . 74.03 111.191 176.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -54.68 -40.92 69.59 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.0 0.92 . . . . 73.04 111.374 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -58.0 -45.42 86.88 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.058 0.543 . . . . 73.0 111.323 173.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 18.4 mmt -61.56 -21.68 64.51 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 112.974 0.731 . . . . 60.54 112.974 -172.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 . . . . . 0 N--CA 1.485 1.285 0 C-N-CA 122.468 0.307 . . . . 73.14 110.984 171.864 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 76' ' ' TYR . 21.0 pttm . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 107.313 -1.366 . . . . 74.32 107.313 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.59 ' HG2' ' HB3' ' A' ' 77' ' ' LYS . 22.5 mt-10 -71.01 154.66 41.62 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 118.796 0.725 . . . . 63.32 110.936 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.516 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.6 OUTLIER -136.46 110.82 8.47 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 108.452 -0.944 . . . . 53.42 108.452 -177.528 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.5 tt -104.43 135.99 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.457 0.703 . . . . 71.33 109.838 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mp -116.37 128.35 55.44 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.845 -1.169 . . . . 71.55 107.845 174.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 2.4 mp -105.51 142.88 17.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 108.006 -1.109 . . . . 74.32 108.006 175.072 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.682 ' HB2' HD11 ' A' ' 64' ' ' LEU . 4.7 t-20 -128.13 129.83 47.16 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 107.47 -1.307 . . . . 64.32 107.47 168.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.547 HG23 HG12 ' A' ' 15' ' ' ILE . 1.3 t -145.75 127.65 15.44 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.983 -0.747 . . . . 65.11 108.983 174.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -73.12 -28.52 62.31 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 114.893 -1.049 . . . . 65.13 109.696 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -75.95 111.02 10.89 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.76 1.224 . . . . 72.4 110.592 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.436 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 4.9 m-20 -59.7 -40.81 89.15 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 124.118 0.967 . . . . 71.45 111.509 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.82 -44.83 86.68 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 124.481 1.113 . . . . 73.21 110.206 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.546 HD22 ' HA ' ' A' ' 110' ' ' ASP . 35.9 tp -64.92 -38.65 91.68 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.626 -0.702 . . . . 65.42 110.997 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.547 HG12 HG23 ' A' ' 9' ' ' THR . 50.6 mt -53.39 -51.45 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 109.626 -0.509 . . . . 73.12 109.626 176.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 13.9 mmmm -56.42 -46.88 80.01 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 124.274 0.983 . . . . 71.31 111.05 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.403 ' HE2' HD11 ' A' ' 114' ' ' LEU . 59.1 mtpt -64.08 -46.77 82.81 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 114.793 -1.094 . . . . 74.04 111.388 -175.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 22' ' ' VAL . 64.9 mt -60.31 -49.05 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 124.074 0.859 . . . . 63.22 109.71 178.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 51.4 mtmt -54.22 -49.24 69.89 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 123.755 0.659 . . . . 51.44 111.343 -177.337 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -67.67 -35.17 78.36 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 123.563 0.54 . . . . 70.04 111.709 -177.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 71.8 mm-40 -58.59 -54.21 49.62 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-O 121.645 0.736 . . . . 62.02 110.369 173.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 18' ' ' ILE . 88.6 t -70.43 -30.28 42.26 Favored 'Isoleucine or valine' 0 C--O 1.247 0.966 0 CA-C-N 114.183 -1.372 . . . . 75.24 112.278 -169.023 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -57.68 -49.15 77.46 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.008 0.523 . . . . 74.03 109.671 170.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -69.58 -24.49 63.69 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.182 0.993 . . . . 72.23 111.535 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 85.2 mm-40 -76.5 -15.37 59.9 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.172 0.589 . . . . 71.43 111.565 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.51 17.87 47.61 Favored Glycine 0 C--N 1.344 0.974 0 O-C-N 123.238 0.336 . . . . 75.21 113.07 177.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.493 ' OH ' ' HA ' ' A' ' 121' ' ' MET . 1.8 m-85 -97.04 159.09 15.11 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.344 0.658 . . . . 72.34 109.673 177.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.426 ' HB2' HG23 ' A' ' 54' ' ' ILE . 22.8 mp0 -86.39 112.75 21.75 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 107.752 -1.203 . . . . 73.24 107.752 176.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.3 t -88.77 110.85 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 109.306 -0.627 . . . . 75.24 109.306 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -123.06 105.68 10.15 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.285 -1.006 . . . . 62.45 108.285 175.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -89.19 151.31 22.24 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.833 -0.803 . . . . 73.24 108.833 177.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.606 HG12 HD13 ' A' ' 63' ' ' LEU . 98.5 t -130.66 121.43 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.655 -0.868 . . . . 61.41 108.655 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -129.32 17.64 5.97 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.76 0.824 . . . . 70.22 110.16 177.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -161.96 151.33 16.0 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.984 0.913 . . . . 70.4 109.971 -175.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.4 m -67.16 -36.6 82.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.956 0.902 . . . . 72.32 112.077 -178.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.506 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 8.1 m-20 -77.54 -20.32 54.34 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 110.007 -0.368 . . . . 72.43 110.007 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 37.3 mm-40 -68.65 -45.73 71.03 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.816 0.446 . . . . 73.04 111.236 170.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.448 ' O ' ' HG2' ' A' ' 42' ' ' MET . 1.2 pp -63.12 -41.27 99.3 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 110.263 -0.273 . . . . 72.34 110.263 -175.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 17.7 ptpt -64.96 -27.34 68.77 Favored 'General case' 0 CA--C 1.554 1.131 0 O-C-N 123.016 0.197 . . . . 52.33 111.43 -176.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -70.16 -55.47 9.3 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.488 0.715 . . . . 71.22 110.392 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 16.7 mm-40 -64.17 -38.14 89.99 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.795 0.838 . . . . 72.13 111.402 -171.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 87.6 mmm -68.27 -32.39 72.52 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.473 0.709 . . . . 75.0 111.504 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 53.1 mtpt -67.78 -43.76 79.03 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 118.901 -0.571 . . . . 75.44 109.941 174.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -53.22 -33.84 54.58 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 123.6 0.76 . . . . 72.12 112.27 -177.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.0 mt -65.61 -38.11 88.51 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.208 1.003 . . . . 62.44 110.931 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.43 -32.82 20.67 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.476 1.11 . . . . 73.44 112.22 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 20.6 mm-40 -73.22 -55.12 6.87 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 108.734 -0.839 . . . . 75.2 108.734 -176.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -83.16 129.48 35.02 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 114.807 -1.088 . . . . 65.31 108.462 174.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -104.1 -56.77 2.14 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.753 0.821 . . . . 75.15 109.957 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -85.17 86.89 7.34 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.838 -0.619 . . . . 72.14 111.176 -174.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -167.5 154.67 8.53 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.324 1.45 . . . . 71.31 108.211 168.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.427 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 13.4 pt-20 -70.15 173.94 6.06 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.235 0.614 . . . . 64.1 111.983 -172.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.484 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -47.75 132.25 14.49 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.13 1.372 . . . . 50.4 112.804 174.324 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.426 HG23 ' HB2' ' A' ' 28' ' ' GLN . 4.0 mp -103.89 146.29 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.109 0.963 . . . . 72.42 109.376 -174.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.406 HD22 HG11 ' A' ' 22' ' ' VAL . 4.9 tt -107.09 112.09 24.85 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 123.339 0.656 . . . . 55.03 109.369 175.102 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.3 mm -96.97 138.73 21.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 N-CA-C 108.135 -1.061 . . . . 60.44 108.135 175.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.4 mt -116.81 152.72 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 107.206 -1.405 . . . . 43.11 107.206 169.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.1 t -146.51 149.49 33.72 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 124.004 0.922 . . . . 54.4 108.726 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -93.7 -6.42 46.29 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.116 0.966 . . . . 72.54 110.596 -178.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -141.79 150.93 42.34 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.427 0.691 . . . . 75.15 111.198 -172.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -85.85 -28.78 24.21 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.187 0.995 . . . . 75.34 112.467 -173.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -65.32 -36.09 82.98 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 109.477 -0.564 . . . . 75.12 109.477 176.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.606 HD13 HG12 ' A' ' 32' ' ' VAL . 75.0 mt -65.5 -45.88 81.86 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.428 0.691 . . . . 42.34 110.009 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' A' ' 8' ' ' ASN . 96.0 mt -50.72 -59.64 3.87 Favored 'General case' 0 C--N 1.37 1.458 0 O-C-N 124.315 1.009 . . . . 74.31 110.43 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.505 ' HA ' HD12 ' A' ' 68' ' ' LEU . 37.3 ttpt -59.92 -41.99 92.95 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 125.051 1.469 . . . . 72.11 110.988 -167.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -54.09 -54.17 43.18 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 124.295 0.997 . . . . 61.23 110.564 173.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.449 ' O ' HG13 ' A' ' 71' ' ' ILE . 78.9 mtm -63.26 -43.22 98.6 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.239 -0.891 . . . . 74.23 111.57 -176.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 65' ' ' LYS . 74.6 mt -54.85 -42.23 71.71 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.259 1.024 . . . . 62.34 111.026 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -66.87 -44.65 80.38 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.754 -1.112 . . . . 72.24 110.726 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.84 -45.06 90.94 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.694 0.797 . . . . 73.35 111.198 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.516 HD13 ' HB3' ' A' ' 4' ' ' LEU . 89.9 mt -59.6 -33.04 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 124.848 1.259 . . . . 62.44 111.79 -178.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.1 t -62.07 -47.07 86.31 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 115.501 -0.772 . . . . 64.24 111.136 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.405 ' HD2' ' H ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -86.92 -7.34 58.28 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 111.73 0.27 . . . . 63.41 111.73 178.891 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.2 mt -76.95 -31.03 56.3 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 109.888 -0.412 . . . . 74.03 109.888 168.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.99 50.89 2.01 Favored Glycine 0 C--N 1.347 1.171 0 CA-C-N 116.296 -0.411 . . . . 71.11 112.63 175.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.484 ' HB2' HG23 ' A' ' 71' ' ' ILE . 16.7 m-85 -128.38 144.36 51.12 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.846 0.859 . . . . 74.11 109.577 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.59 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . 49.9 tttm -71.63 117.04 12.71 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.053 -0.721 . . . . 71.41 109.053 174.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.43 129.8 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.652 0.781 . . . . 60.02 110.754 -168.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -123.33 149.31 45.03 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 107.872 -1.159 . . . . 73.2 107.872 172.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.409 HD22 HD11 ' A' ' 68' ' ' LEU . 56.1 tp -141.73 143.25 33.42 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 107.738 -1.208 . . . . 45.23 107.738 178.344 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 35.9 tp -144.2 128.65 17.97 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 105.918 -1.882 . . . . 63.5 105.918 178.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 106' ' ' LYS . 1.3 pp -145.73 149.0 33.6 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.256 0.55 . . . . 64.52 111.832 -174.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.448 ' HB3' HG23 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -150.7 155.76 39.96 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-N 114.291 -1.322 . . . . 74.53 108.988 175.392 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.473 ' HB2' HD21 ' A' ' 90' ' ' LEU . 6.0 t70 -157.74 173.08 17.37 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 107.893 -1.151 . . . . 72.25 107.893 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -60.28 -52.69 64.19 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 109.233 -0.654 . . . . 74.43 109.233 167.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -92.77 119.1 31.8 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.603 -0.726 . . . . 54.44 109.518 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.576 ' HA ' HD12 ' A' ' 90' ' ' LEU . 50.4 tt0 -75.02 -27.49 60.1 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.372 1.069 . . . . 71.43 111.647 -176.392 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.403 ' HA ' ' HG2' ' A' ' 91' ' ' GLU . 19.6 m120 -70.96 -34.28 71.29 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 116.491 -0.322 . . . . 73.34 111.109 -176.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -58.03 -35.47 71.33 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.172 0.589 . . . . 74.23 111.193 172.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 87' ' ' GLU . 80.2 mt -72.31 -47.79 47.16 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.843 -1.072 . . . . 75.52 111.803 -177.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.524 ' HB3' ' HE2' ' A' ' 106' ' ' LYS . 8.4 pt-20 -81.54 -25.31 35.99 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 123.425 0.453 . . . . 74.21 112.134 -173.187 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -74.92 -30.41 61.25 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 117.883 0.31 . . . . 72.2 110.39 171.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -71.49 -39.77 70.65 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 122.376 0.27 . . . . 71.23 110.524 168.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.646 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 28.4 ttpp -65.73 -42.32 91.19 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.459 0.704 . . . . 74.03 111.862 -173.058 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -57.8 -27.19 62.9 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.033 0.533 . . . . 72.11 111.755 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.12 -34.94 59.48 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.411 1.084 . . . . 64.03 110.496 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.414 HG22 ' HB2' ' A' ' 102' ' ' TYR . 32.9 mm -78.1 -41.01 26.68 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 C-N-CA 124.531 1.132 . . . . 74.12 111.086 -177.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.44 -31.28 72.43 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.576 1.15 . . . . 74.31 111.505 173.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.3 t -63.34 -37.55 87.68 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 123.806 0.691 . . . . 75.0 110.723 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -80.19 -21.49 42.92 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.723 0.809 . . . . 51.54 110.898 175.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.34 33.8 7.87 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 116.385 -0.37 . . . . 64.31 113.485 172.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.414 ' HB2' HG22 ' A' ' 97' ' ' ILE . 20.7 m-85 -94.91 143.09 26.75 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.729 -0.471 . . . . 75.25 109.729 176.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -75.22 92.56 2.73 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.572 0.749 . . . . 74.52 110.02 -175.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 p -110.32 138.85 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.704 0.802 . . . . 73.31 111.369 -172.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -123.01 118.95 28.96 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.401 1.081 . . . . 62.12 108.948 177.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.646 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 1.3 tmmt? -103.3 124.23 48.26 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.186 0.994 . . . . 62.24 109.373 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.448 HG23 ' HB3' ' A' ' 83' ' ' GLN . 33.7 m -128.82 156.74 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 108.281 -1.007 . . . . 51.32 108.281 178.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.0 m -86.8 -62.67 1.45 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 109.117 -0.697 . . . . 63.4 109.117 176.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -95.39 169.22 10.21 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.051 1.13 . . . . 75.3 114.051 -167.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.546 ' HA ' HD22 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -59.23 -54.3 48.49 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 112.264 -2.244 . . . . 64.24 112.225 -175.445 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.38 -32.3 71.18 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.514 0.726 . . . . 72.35 111.957 -175.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.684 ' HA ' ' HE2' ' A' ' 115' ' ' LYS . 44.6 mt-10 -70.66 -33.44 70.96 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 123.569 0.748 . . . . 73.02 111.238 -176.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -69.07 -40.0 78.74 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.805 -0.634 . . . . 75.12 110.183 174.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.403 HD11 ' HE2' ' A' ' 17' ' ' LYS . 97.9 mt -64.32 -33.58 76.16 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.277 0.631 . . . . 65.45 110.93 -178.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.684 ' HE2' ' HA ' ' A' ' 112' ' ' GLU . 51.3 mtmt -57.96 -59.0 5.93 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 123.906 0.754 . . . . 75.04 110.093 175.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 44.8 mt -70.76 -25.63 26.65 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 123.845 0.858 . . . . 44.21 111.769 -170.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 113' ' ' ALA . 43.8 t -59.36 -51.78 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.207 0.603 . . . . 50.53 109.518 169.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -70.0 -38.66 76.05 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.738 -0.664 . . . . 73.13 111.3 -178.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.48 -33.37 75.73 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.262 0.625 . . . . 71.51 111.708 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -64.47 -30.36 71.39 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.563 0.345 . . . . 75.54 110.557 176.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.493 ' HA ' ' OH ' ' A' ' 27' ' ' TYR . 21.9 mmt -58.44 -31.25 67.58 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 123.563 0.539 . . . . 54.44 111.624 -178.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 . . . . . 0 CA--C 1.556 1.203 0 C-N-CA 123.253 0.621 . . . . 74.23 112.035 175.021 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 108.944 -0.761 . . . . 63.44 108.944 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.447 ' HG3' ' HB3' ' A' ' 77' ' ' LYS . 3.2 mp0 -110.98 124.93 53.11 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 108.287 -1.005 . . . . 75.02 108.287 172.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.426 HD11 HD22 ' A' ' 45' ' ' LEU . 3.8 mm? -105.66 130.45 53.68 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 109.816 -0.439 . . . . 45.41 109.816 -174.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.0 tt -117.34 115.32 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.571 -0.899 . . . . 50.44 108.571 178.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 mp -104.91 121.11 43.02 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.467 -0.938 . . . . 72.04 108.467 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.583 HG21 HD13 ' A' ' 18' ' ' ILE . 2.1 mp -99.72 129.74 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 108.735 -0.839 . . . . 61.33 108.735 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.634 ' HB2' HD11 ' A' ' 64' ' ' LEU . 4.4 t-20 -110.7 114.23 27.45 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 108.406 -0.961 . . . . 75.32 108.406 173.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.462 HG22 HG22 ' A' ' 7' ' ' ILE . 1.5 t -145.89 132.1 19.46 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.688 0.795 . . . . 71.51 109.937 -178.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -102.5 15.31 29.6 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.337 0.655 . . . . 61.31 111.55 175.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.458 ' O ' HG13 ' A' ' 15' ' ' ILE . 39.2 t30 -113.9 109.32 18.32 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 109.115 -0.698 . . . . 75.33 109.115 174.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -52.21 -42.52 63.6 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.891 1.276 . . . . 71.13 111.54 177.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -63.36 -39.56 94.88 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 115.128 -0.942 . . . . 64.22 111.361 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.3 tp -69.13 -37.75 78.49 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 119.057 -0.497 . . . . 73.35 110.417 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.524 HG22 ' HE3' ' A' ' 19' ' ' LYS . 24.9 mt -57.42 -40.0 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 123.623 0.577 . . . . 62.22 109.909 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -62.3 -47.05 86.02 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 115.415 -0.811 . . . . 74.24 111.105 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -66.36 -36.47 82.97 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.646 0.778 . . . . 64.53 111.354 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.583 HD13 HG21 ' A' ' 7' ' ' ILE . 87.6 mt -62.76 -51.02 77.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 CA-C-N 115.052 -0.977 . . . . 74.31 108.964 175.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.614 ' HE2' HG11 ' A' ' 29' ' ' VAL . 91.0 mttt -58.21 -33.3 69.15 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.365 0.666 . . . . 54.32 111.984 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 10.3 mmpt? -62.12 -48.01 82.04 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.573 0.545 . . . . 71.02 109.998 174.268 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 50.8 mm-40 -60.36 -47.06 87.69 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.961 0.788 . . . . 75.43 111.973 175.287 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 18' ' ' ILE . 44.8 t -58.91 -36.53 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 123.681 0.792 . . . . 70.01 110.676 -176.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.94 -44.81 79.65 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.256 -0.883 . . . . 72.35 111.134 174.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -61.55 -30.77 70.86 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 123.757 0.823 . . . . 72.32 110.966 177.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 12.4 mm100 -84.34 -25.42 29.22 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.902 0.881 . . . . 73.15 110.414 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.15 26.34 19.07 Favored Glycine 0 C--N 1.354 1.54 0 C-N-CA 123.106 0.384 . . . . 55.34 113.662 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -106.24 159.1 16.37 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.98 0.912 . . . . 72.22 110.047 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -95.04 128.72 42.08 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.71 0.804 . . . . 61.33 109.58 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.614 HG11 ' HE2' ' A' ' 19' ' ' LYS . 25.5 t -86.91 124.51 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.195 0.598 . . . . 62.33 109.602 175.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -124.26 111.55 15.97 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 108.35 -0.981 . . . . 72.41 108.35 170.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -86.4 147.05 26.19 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.32 1.048 . . . . 71.45 111.351 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.466 HG12 HD13 ' A' ' 63' ' ' LEU . 94.1 t -132.79 121.4 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.339 1.056 . . . . 61.04 108.819 177.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -132.52 7.73 4.18 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.48 0.712 . . . . 72.21 110.352 173.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.477 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 10.4 t70 -144.95 148.56 33.95 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.962 0.505 . . . . 51.41 109.842 -177.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.497 ' HA ' HD23 ' A' ' 38' ' ' LEU . 19.6 p -73.9 -17.37 61.04 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.742 0.817 . . . . 75.54 112.868 -175.269 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 13.7 t70 -77.49 -41.8 38.06 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.351 0.66 . . . . 63.24 109.731 173.173 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.477 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 14.1 mm-40 -59.23 -43.47 92.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.684 0.793 . . . . 72.33 112.236 -175.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 35' ' ' SER . 3.2 pp -61.61 -41.98 98.23 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 123.938 0.774 . . . . 75.31 112.12 -168.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 18.9 ptpt -65.37 -35.52 81.22 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.406 0.441 . . . . 75.23 110.555 -176.018 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 44.5 mtpt -70.91 -36.55 72.74 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.585 1.154 . . . . 51.04 110.79 -178.232 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -68.66 -41.0 79.94 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.659 0.6 . . . . 73.13 109.81 176.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.513 ' SD ' HG13 ' A' ' 71' ' ' ILE . 31.6 mmt -62.76 -38.7 91.61 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.339 0.656 . . . . 60.15 110.896 177.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -65.94 -38.2 88.01 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.352 -0.386 . . . . 72.23 110.839 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 46.6 mmtm -60.25 -32.85 71.54 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 123.268 0.627 . . . . 62.04 112.326 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.426 HD22 HD11 ' A' ' 4' ' ' LEU . 23.2 mt -62.34 -33.47 74.76 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.986 0.804 . . . . 73.42 110.285 175.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.54 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -93.17 -23.39 18.59 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.911 1.284 . . . . 64.04 112.737 -177.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -63.58 -55.69 21.78 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 118.059 0.391 . . . . 60.41 111.125 -173.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.18 156.73 21.93 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 122.889 0.475 . . . . 72.13 110.635 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -103.24 -41.36 6.08 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.703 0.801 . . . . 63.53 112.544 -175.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -126.21 86.55 2.54 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.976 0.51 . . . . 75.31 110.584 -169.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -162.36 163.26 27.96 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-N 115.205 -0.907 . . . . 70.24 109.239 -178.106 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.22 178.73 5.56 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.665 0.745 . . . . 63.2 111.474 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.44 ' HD2' ' HB2' ' A' ' 3' ' ' GLU . 17.3 pttt -89.37 150.54 22.5 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 114.854 -1.066 . . . . 74.33 111.919 -176.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.8 mp -105.31 138.26 31.1 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-N 114.668 -1.151 . . . . 73.03 109.398 -173.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.45 HD13 HG22 ' A' ' 22' ' ' VAL . 6.5 tt -90.8 121.22 32.48 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.983 -0.747 . . . . 65.45 108.983 172.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.2 mm -98.63 137.82 25.01 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 123.802 0.841 . . . . 61.32 108.762 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.1 mt -119.53 134.01 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 N-CA-C 107.271 -1.381 . . . . 72.43 107.271 166.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.9 t -133.07 143.97 49.69 Favored 'General case' 0 C--O 1.243 0.735 0 C-N-CA 123.271 0.629 . . . . 52.15 110.018 177.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -77.77 -33.29 52.78 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.061 0.944 . . . . 74.1 111.238 -177.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -121.16 151.61 39.72 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.518 0.727 . . . . 51.35 111.743 -168.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.419 ' HA ' HD12 ' A' ' 64' ' ' LEU . 61.2 mttp -80.03 -34.12 38.6 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.451 1.101 . . . . 73.41 112.89 -174.593 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.53 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 49.8 mt-30 -64.77 -33.08 75.12 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 110.023 -0.362 . . . . 73.34 110.023 178.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.466 HD13 HG12 ' A' ' 32' ' ' VAL . 68.6 mt -68.15 -38.97 82.72 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 123.983 0.802 . . . . 74.52 110.721 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.634 HD11 ' HB2' ' A' ' 8' ' ' ASN . 89.1 mt -55.32 -56.35 21.12 Favored 'General case' 0 C--N 1.36 1.047 0 O-C-N 124.313 1.008 . . . . 64.32 110.539 178.373 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -58.97 -39.49 81.89 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 124.48 1.113 . . . . 51.41 111.71 -172.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 16.1 mm-40 -56.54 -49.92 73.4 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 124.228 0.955 . . . . 73.32 110.901 173.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 74.7 mtm -63.42 -40.43 97.15 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.762 -0.653 . . . . 53.41 111.677 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.566 HD11 HD22 ' A' ' 80' ' ' LEU . 60.7 mt -57.47 -45.22 85.04 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.353 0.661 . . . . 72.44 111.707 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -76.55 -29.52 56.73 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.629 -0.714 . . . . 75.4 111.127 -177.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.573 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 81.0 mt -70.31 -42.98 71.27 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 123.099 0.249 . . . . 75.52 111.016 174.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.513 HG13 ' SD ' ' A' ' 42' ' ' MET . 71.4 mt -64.57 -33.11 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 C-N-CA 123.674 0.79 . . . . 54.24 110.155 176.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.1 t -67.76 -41.2 83.68 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.058 -0.974 . . . . 54.51 111.018 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 14.6 ptmm? -77.43 -24.65 50.35 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 116.857 -0.156 . . . . 70.22 110.914 177.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 98.2 mt -66.93 -28.42 68.28 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 122.808 0.443 . . . . 74.22 109.872 170.239 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.78 23.28 21.27 Favored Glycine 0 C--N 1.348 1.205 0 CA-C-N 115.512 -0.767 . . . . 14.12 113.212 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -100.46 170.51 8.35 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.672 0.789 . . . . 72.12 111.068 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.447 ' HB3' ' HG3' ' A' ' 3' ' ' GLU . 11.6 ttmm -69.25 128.45 36.64 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 109.577 -0.527 . . . . 70.13 109.577 170.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.3 t -100.4 108.36 22.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.658 0 CA-C-N 115.061 -0.972 . . . . 53.22 109.101 174.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -115.12 137.09 52.41 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.01 -1.107 . . . . 55.34 108.01 172.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.576 HD11 HD13 ' A' ' 64' ' ' LEU . 57.3 tp -131.03 149.27 52.69 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.424 1.09 . . . . 73.33 108.769 -178.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.556 HD23 HG13 ' A' ' 7' ' ' ILE . 41.0 tp -138.6 135.24 34.74 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.461 -1.681 . . . . 73.43 106.461 176.02 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.562 HD13 ' HB3' ' A' ' 90' ' ' LEU . 0.6 OUTLIER -136.55 142.23 43.4 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 122.79 0.436 . . . . 74.3 110.778 175.281 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.78 146.6 34.41 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 124.353 1.061 . . . . 75.2 109.069 178.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -157.51 165.54 35.35 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 125.239 1.416 . . . . 75.44 107.677 167.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -75.45 -17.07 60.25 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.877 -0.601 . . . . 73.22 109.725 168.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -104.02 109.09 20.73 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.269 1.028 . . . . 74.2 108.499 171.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -75.01 -21.66 58.97 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.796 0.838 . . . . 60.41 111.958 -175.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -75.46 -28.08 59.15 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.633 0.373 . . . . 74.51 111.418 -176.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -59.06 -36.04 74.37 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.565 0.697 . . . . 63.55 111.019 170.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.562 ' HB3' HD13 ' A' ' 82' ' ' LEU . 79.2 mt -75.32 -50.22 16.68 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 114.328 -1.306 . . . . 62.14 111.594 -172.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -73.49 -27.67 61.51 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.315 0.858 . . . . 72.05 113.315 -170.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.68 -39.62 73.4 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 118.024 0.374 . . . . 71.0 110.783 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.488 ' O ' HG12 ' A' ' 97' ' ' ILE . 57.1 t80 -73.79 -42.18 61.35 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.698 0.399 . . . . 64.51 110.167 174.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.447 ' HD2' ' HB2' ' A' ' 106' ' ' LYS . 62.3 tttp -60.3 -44.8 95.1 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.695 0.798 . . . . 64.14 111.578 -175.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -62.09 -27.96 69.28 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 123.643 0.589 . . . . 71.53 111.795 -178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -71.75 -42.53 67.1 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.216 0.606 . . . . 54.14 109.963 174.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 93' ' ' PHE . 30.6 mm -69.6 -30.35 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 C-N-CA 123.76 0.824 . . . . 70.42 110.834 -178.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 56.2 mm-40 -57.87 -47.43 82.77 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.354 0.662 . . . . 65.32 110.372 168.043 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.9 m -69.36 -31.09 69.29 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.971 0.908 . . . . 61.31 111.715 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -73.73 -23.54 59.78 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.421 0.688 . . . . 55.34 110.007 173.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.27 44.74 6.12 Favored Glycine 0 C--N 1.349 1.253 0 CA-C-N 115.826 -0.625 . . . . 74.14 112.859 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -117.75 142.61 47.07 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.583 0.753 . . . . 40.55 109.82 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -78.91 88.53 4.71 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.087 0.955 . . . . 63.24 110.894 -174.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 p -105.73 140.19 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.628 0.771 . . . . 64.34 111.129 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -111.6 136.4 50.85 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.658 0.783 . . . . 74.25 109.48 175.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 82' ' ' LEU . 29.9 ttmt -102.17 128.95 48.45 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.261 0.625 . . . . 75.4 109.366 175.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.426 ' HB ' ' HB2' ' A' ' 112' ' ' GLU . 34.3 m -136.02 144.57 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 109.316 -0.624 . . . . 62.44 109.316 175.064 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.0 m -102.3 -37.62 7.99 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.738 0.815 . . . . 73.22 110.086 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -100.17 155.68 17.62 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.047 -0.978 . . . . 53.13 111.406 -171.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -48.59 -54.33 14.97 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.847 1.659 . . . . 73.45 111.762 170.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 11.2 pt-20 -56.93 -42.61 80.31 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 124.324 1.015 . . . . 74.14 111.464 -174.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.482 ' O ' HG12 ' A' ' 116' ' ' ILE . 45.5 mt-10 -66.33 -39.09 89.01 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 123.985 0.803 . . . . 63.44 110.69 -175.048 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.19 -42.29 96.73 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.755 0.659 . . . . 72.35 111.104 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.45 -36.03 82.85 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.782 0.833 . . . . 75.34 110.557 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 98.0 mttt -65.84 -45.8 80.88 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 115.205 -0.907 . . . . 63.23 110.615 177.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 112' ' ' GLU . 50.6 mm -65.66 -32.92 60.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 C-N-CA 122.899 0.48 . . . . 71.3 111.74 -175.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.505 ' O ' ' HG2' ' A' ' 121' ' ' MET . 85.3 t -53.44 -51.49 41.09 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 O-C-N 123.621 0.575 . . . . 72.15 109.474 170.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -69.72 -40.64 76.11 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.105 0.962 . . . . 71.34 111.555 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 47.8 mm-40 -56.72 -42.03 78.46 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.313 1.045 . . . . 63.04 111.239 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -63.04 -41.73 99.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.507 0.723 . . . . 63.22 111.156 176.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 14.8 mmt -64.55 -24.26 67.54 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 112.37 0.507 . . . . 74.33 112.37 -171.514 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 . . . . . 0 CA--C 1.552 1.023 0 N-CA-C 109.577 -0.527 . . . . 70.41 109.577 168.378 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 79.5 tttt . . . . . 0 C--O 1.233 0.21 0 N-CA-C 106.171 -1.789 . . . . 71.55 106.171 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 2.2 mp0 -89.04 136.97 32.73 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.429 -0.805 . . . . 53.23 110.472 -172.53 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.497 ' HB2' HG21 ' A' ' 71' ' ' ILE . 4.5 mm? -118.84 111.37 18.34 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 106.548 -1.649 . . . . 61.42 106.548 174.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.417 HG13 ' HD1' ' A' ' 79' ' ' PHE . 3.2 tt -105.5 120.13 55.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.865 0.866 . . . . 52.43 108.759 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mp -101.63 123.6 45.89 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.408 -0.96 . . . . 75.34 108.408 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.432 HG21 HD13 ' A' ' 18' ' ' ILE . 2.3 mp -100.8 119.15 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 108.577 -0.898 . . . . 54.23 108.577 177.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.487 ' HB2' HD11 ' A' ' 64' ' ' LEU . 52.4 t30 -96.21 118.61 33.13 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 107.2 -1.407 . . . . 71.41 107.2 169.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.447 HG23 HG12 ' A' ' 15' ' ' ILE . 1.8 t -144.44 136.65 26.33 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.279 0.632 . . . . 64.12 109.575 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -96.54 -11.3 25.63 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 114.962 -1.017 . . . . 75.24 110.839 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.407 ' O ' HG13 ' A' ' 15' ' ' ILE . 56.0 t30 -97.96 114.68 26.87 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.052 0.941 . . . . 70.33 109.847 -172.192 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.79 -43.79 92.07 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.641 1.176 . . . . 75.31 112.431 -170.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 9.0 pt-20 -63.37 -37.86 88.92 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.886 -0.597 . . . . 73.14 110.519 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' HG13 ' A' ' 18' ' ' ILE . 47.4 tp -63.34 -42.47 98.95 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 123.82 0.7 . . . . 75.13 110.352 178.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.599 HG23 HG21 ' A' ' 57' ' ' ILE . 50.1 mt -53.23 -49.95 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 123.307 0.643 . . . . 74.32 110.222 177.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 59.9 mttp -59.68 -46.6 88.57 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.856 -1.065 . . . . 75.3 111.468 -178.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 60.3 mtpt -63.43 -40.9 98.42 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.008 -0.996 . . . . 60.53 111.176 -176.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.534 ' O ' HG23 ' A' ' 22' ' ' VAL . 80.9 mt -61.33 -49.09 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 123.865 0.728 . . . . 64.12 109.141 176.517 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HE3' HG22 ' A' ' 15' ' ' ILE . 98.8 mttt -50.61 -46.91 58.3 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 123.915 0.759 . . . . 71.33 111.109 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 10.1 mmpt? -62.06 -46.37 89.44 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.541 0.736 . . . . 73.44 111.275 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 13.1 mm-40 -61.37 -44.18 97.61 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.391 0.676 . . . . 70.15 111.542 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 18' ' ' ILE . 78.9 t -68.26 -33.65 61.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 C-N-CA 124.291 1.036 . . . . 43.12 111.15 -177.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -68.97 -37.09 78.59 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.391 0.676 . . . . 73.43 110.558 174.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -63.32 -38.03 89.59 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.312 0.645 . . . . 41.54 110.338 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 13.9 mm-40 -80.79 -14.3 58.2 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 115.18 -0.918 . . . . 74.51 111.474 -179.05 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.17 28.7 33.03 Favored Glycine 0 C--N 1.353 1.475 0 N-CA-C 114.199 0.44 . . . . 73.33 114.199 172.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 1.4 m-85 -96.26 159.75 14.79 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.163 0.585 . . . . 74.41 109.457 175.159 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -79.82 114.1 18.48 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.377 -0.972 . . . . 72.31 108.377 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.77 104.78 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 109.438 -0.579 . . . . 72.2 109.438 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -100.89 129.71 46.79 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 107.51 -1.293 . . . . 62.23 107.51 169.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -122.56 115.89 22.93 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.638 0.732 . . . . 54.12 109.745 176.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.617 HG11 ' HB3' ' A' ' 38' ' ' LEU . 87.5 t -109.51 120.83 61.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 125.133 1.373 . . . . 70.3 108.304 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -103.12 -19.64 14.46 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.094 0.557 . . . . 74.35 109.814 176.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -150.57 154.46 37.6 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.238 1.015 . . . . 61.24 110.068 -175.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.8 p -65.62 -17.48 64.62 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 113.757 1.021 . . . . 70.33 113.757 -173.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.434 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 26.7 t70 -69.76 -22.72 63.33 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.995 0.518 . . . . 65.2 110.614 177.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' HB2' HG13 ' A' ' 32' ' ' VAL . 40.4 mt-10 -83.45 -46.42 12.52 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 124.183 0.993 . . . . 61.11 111.608 177.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.617 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.8 pp -65.59 -34.75 78.96 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 123.062 0.226 . . . . 52.21 111.495 -172.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.434 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 18.7 ptpt -60.6 -27.92 68.1 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.656 0.382 . . . . 73.12 111.667 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -83.07 -48.57 10.45 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.172 0.989 . . . . 71.04 111.248 -177.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.59 -24.71 38.96 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.92 -0.582 . . . . 71.44 111.573 -173.207 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.7 mmt -63.08 -33.91 76.47 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.397 0.679 . . . . 51.45 111.606 171.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 66.2 mttm -58.19 -50.45 73.49 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.748 -0.834 . . . . 63.43 108.748 171.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -63.66 -34.18 77.28 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 115.018 -0.992 . . . . 73.51 112.268 -177.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.0 mt -65.14 -36.71 85.1 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.061 0.544 . . . . 71.4 111.08 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.78 -39.89 26.03 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.598 0.759 . . . . 71.1 111.319 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 30.3 mm-40 -66.31 -55.64 15.03 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.766 0.826 . . . . 75.3 110.147 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -73.61 86.61 1.62 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 107.502 -1.296 . . . . 64.2 107.502 174.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -82.74 -62.04 1.71 Allowed 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.28 -0.873 . . . . 71.43 108.879 -174.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -86.37 94.83 9.47 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.826 -1.079 . . . . 64.13 110.222 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.498 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -172.46 -179.52 2.24 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.925 1.29 . . . . 72.44 108.736 165.815 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.27 164.97 12.38 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.461 0.648 . . . . 72.23 111.894 179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 32.0 pttt -81.92 159.85 23.54 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.007 -0.997 . . . . 70.24 112.165 -172.016 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.498 HD11 ' CZ ' ' A' ' 51' ' ' PHE . 4.1 mp -120.31 149.0 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 114.527 -1.215 . . . . 53.53 109.257 -166.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.497 HD22 HG21 ' A' ' 22' ' ' VAL . 5.8 tt -112.92 122.9 49.02 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.972 0.909 . . . . 73.21 108.953 174.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.2 mm -99.03 136.8 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 N-CA-C 108.121 -1.066 . . . . 53.45 108.121 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.599 HG21 HG23 ' A' ' 15' ' ' ILE . 67.1 mt -116.47 122.45 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 106.175 -1.787 . . . . 73.11 106.175 166.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 27.7 t -128.2 116.63 20.19 Favored 'General case' 0 C--O 1.242 0.671 0 N-CA-C 108.957 -0.757 . . . . 74.13 108.957 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -65.74 -55.93 14.7 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.82 -1.082 . . . . 74.41 110.532 -178.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.49 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 10.5 t70 -83.5 145.29 29.0 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 115.903 -0.59 . . . . 64.24 109.766 -174.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -88.37 -22.65 23.69 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.654 0.983 . . . . 75.24 113.654 -167.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -68.36 -27.67 66.45 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 109.373 -0.603 . . . . 72.53 109.373 175.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.492 HD13 HG12 ' A' ' 32' ' ' VAL . 21.7 mt -68.61 -44.16 74.87 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 114.834 -1.076 . . . . 64.21 109.59 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 8' ' ' ASN . 68.1 mt -53.31 -59.79 4.12 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.874 1.358 . . . . 62.01 110.221 177.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -49.25 -46.98 46.83 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 124.511 1.132 . . . . 55.35 111.935 -175.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -63.0 -54.03 44.74 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.597 -0.729 . . . . 74.42 112.107 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 77.1 mtm -65.88 -40.72 91.87 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.202 0.601 . . . . 71.22 112.516 -172.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 63.9 mt -49.37 -43.56 44.12 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.262 1.025 . . . . 73.23 111.21 175.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -83.3 -27.22 29.96 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 115.237 -0.892 . . . . 54.0 112.131 -176.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 94.8 mt -63.79 -51.32 65.33 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.178 0.591 . . . . 72.53 110.277 172.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.497 HG21 ' HB2' ' A' ' 4' ' ' LEU . 75.4 mt -60.86 -36.27 70.47 Favored 'Isoleucine or valine' 0 C--O 1.247 0.969 0 C-N-CA 124.953 1.301 . . . . 73.13 111.189 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -62.79 -45.62 91.81 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 115.478 -0.783 . . . . 72.53 110.747 177.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -12.64 57.52 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.807 0.443 . . . . 63.32 111.881 -179.097 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 93.0 mt -71.05 -32.41 69.1 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 108.632 -0.877 . . . . 64.33 108.632 165.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.6 9.99 34.22 Favored Glycine 0 C--N 1.341 0.842 0 CA-C-N 115.006 -0.997 . . . . 75.04 112.218 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.479 ' HB2' HG23 ' A' ' 71' ' ' ILE . 16.4 m-85 -88.38 152.0 22.21 Favored 'General case' 0 C--O 1.245 0.825 0 C-N-CA 123.619 0.768 . . . . 71.34 109.536 176.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -73.18 137.42 45.06 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.294 -0.632 . . . . 71.34 109.294 175.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.1 t -107.42 134.78 48.15 Favored 'Isoleucine or valine' 0 C--O 1.244 0.799 0 C-N-CA 124.122 0.969 . . . . 63.11 109.933 -178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.417 ' HD1' HG13 ' A' ' 5' ' ' ILE . 56.1 t80 -134.09 146.69 50.52 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 107.432 -1.322 . . . . 63.51 107.432 170.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 55.6 tp -129.79 140.76 50.98 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 108.481 -0.933 . . . . 65.23 108.481 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.3 tp -136.79 112.88 9.73 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 106.429 -1.693 . . . . 74.55 106.429 174.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -119.72 151.03 39.41 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.212 0.605 . . . . 64.51 111.349 -172.67 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.486 ' HA ' HD21 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -145.89 109.53 4.78 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 107.808 -1.182 . . . . 72.13 107.808 172.607 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -104.08 154.35 19.82 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 108.228 -1.027 . . . . 72.42 108.228 169.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -70.56 -30.47 67.19 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.909 -0.587 . . . . 74.35 109.489 169.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -89.39 105.3 17.7 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.652 0.781 . . . . 65.21 109.236 173.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.486 ' HA ' HD13 ' A' ' 90' ' ' LEU . 10.5 tp10 -62.59 -29.89 70.93 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.458 0.703 . . . . 52.52 112.019 -178.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -60.37 -23.62 64.45 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.934 -1.03 . . . . 74.24 112.549 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -79.14 -38.97 34.76 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 112.522 0.564 . . . . 74.44 112.522 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.486 HD21 ' HA ' ' A' ' 83' ' ' GLN . 5.6 mp -62.9 -46.54 87.36 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 123.195 0.309 . . . . 64.15 111.174 -173.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.2 -41.86 97.58 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.766 0.826 . . . . 63.5 112.149 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -77.55 -36.52 52.18 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.006 0.522 . . . . 75.55 111.446 -175.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 97' ' ' ILE . 1.9 t80 -69.5 -40.47 76.99 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 109.065 -0.717 . . . . 73.34 109.065 175.134 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.64 ' HD3' ' HD2' ' A' ' 106' ' ' LYS . 23.0 mtpt -58.93 -52.88 63.87 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.41 0.684 . . . . 73.24 112.514 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -56.99 -26.51 60.23 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 123.496 0.498 . . . . 74.41 111.681 -173.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 32.8 mmtp -79.24 -50.25 11.23 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.596 0.758 . . . . 52.11 110.891 176.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 93' ' ' PHE . 38.3 mm -65.27 -39.55 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 123.939 0.896 . . . . 61.53 110.971 -175.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -53.47 -48.01 69.27 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.637 1.175 . . . . 72.41 111.75 168.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.1 t -70.37 -23.46 62.79 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 123.531 0.732 . . . . 72.23 111.259 -178.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.508 HE21 ' HA ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -75.67 -8.85 57.84 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.194 0.598 . . . . 73.44 111.456 174.695 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.07 25.58 24.05 Favored Glycine 0 C--N 1.344 0.994 0 CA-C-N 116.367 -0.379 . . . . 73.42 112.715 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.46 ' HB2' HG22 ' A' ' 97' ' ' ILE . 10.5 m-85 -113.13 158.0 20.94 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.755 -0.831 . . . . 74.41 108.755 174.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -109.26 131.54 54.97 Favored 'General case' 0 C--O 1.245 0.852 0 N-CA-C 108.766 -0.828 . . . . 54.21 108.766 175.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.569 HG13 ' HE3' ' A' ' 94' ' ' LYS . 1.5 p -134.79 133.11 54.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.268 -0.878 . . . . 65.05 110.558 -174.289 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -97.11 144.38 27.02 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 124.204 1.002 . . . . 64.13 109.918 171.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.64 ' HD2' ' HD3' ' A' ' 94' ' ' LYS . 14.4 ptmm? -117.25 141.63 48.06 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 124.019 0.928 . . . . 65.31 109.046 176.312 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.482 HG23 ' HB3' ' A' ' 83' ' ' GLN . 29.1 m -147.63 165.05 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 124.718 1.207 . . . . 61.53 109.38 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.7 m -116.95 -50.33 2.59 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.664 0.745 . . . . 70.12 109.473 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -94.08 160.29 14.78 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 114.346 -1.297 . . . . 65.23 110.49 -170.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -53.05 -53.64 47.27 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.451 1.5 . . . . 73.14 112.029 175.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -60.55 -36.76 79.22 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 123.943 0.777 . . . . 64.33 112.076 -173.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.47 -45.05 81.0 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.126 0.57 . . . . 64.0 109.997 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.44 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.04 -49.47 75.87 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.855 0.862 . . . . 75.1 111.788 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.8 mt -58.88 -45.02 91.17 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.207 1.003 . . . . 73.21 111.06 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 61.1 tttm -63.58 -44.94 92.6 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 114.476 -1.238 . . . . 62.13 110.169 -175.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 34.6 mt -72.89 -27.16 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.417 0.687 . . . . 75.14 112.564 -174.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 113' ' ' ALA . 73.9 t -54.18 -42.06 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 CA-C-O 121.4 0.619 . . . . 71.22 109.944 168.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -82.89 -37.21 24.58 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.461 1.105 . . . . 70.54 111.952 -178.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 24.9 mm-40 -57.73 -46.52 84.34 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.292 0.637 . . . . 61.13 109.552 176.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -43.94 -42.12 5.7 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 125.377 1.471 . . . . 73.22 112.322 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.9 mtt -62.5 -19.19 63.34 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 114.793 -1.094 . . . . 74.11 113.267 -172.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 . . . . . 0 N--CA 1.489 1.503 0 CA-C-N 118.24 0.473 . . . . 73.33 110.421 164.054 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 121.75 0.786 . . . . 70.04 111.619 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -113.6 149.64 34.24 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-N 114.27 -1.332 . . . . 72.55 108.449 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.94 121.82 12.0 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.721 -0.474 . . . . 74.52 109.721 -176.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 tt -118.55 137.46 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 109.552 -0.536 . . . . 73.53 109.552 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.514 HD21 ' HB2' ' A' ' 67' ' ' MET . 4.6 mp -116.34 132.0 56.79 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 107.832 -1.174 . . . . 73.11 107.832 174.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.553 HG13 HD23 ' A' ' 81' ' ' LEU . 2.2 mp -110.92 135.48 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 107.94 -1.133 . . . . 64.5 107.94 174.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.571 ' HB2' HD11 ' A' ' 64' ' ' LEU . 27.0 t-20 -116.54 109.01 16.7 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 107.101 -1.444 . . . . 71.33 107.101 168.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.631 HG23 HG12 ' A' ' 15' ' ' ILE . 1.2 t -125.64 118.66 26.15 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.511 -0.922 . . . . 54.02 108.511 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -94.79 10.77 33.9 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.907 -1.042 . . . . 75.24 110.202 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.492 ' O ' HG13 ' A' ' 15' ' ' ILE . 59.3 t-20 -108.43 119.63 40.07 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.702 1.201 . . . . 65.53 108.909 178.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -55.28 -56.6 18.2 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.667 1.187 . . . . 72.33 112.181 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -64.27 -32.43 74.02 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 115.323 -0.853 . . . . 65.32 110.651 -175.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.6 HD13 ' HB3' ' A' ' 110' ' ' ASP . 53.7 tp -69.99 -38.94 76.16 Favored 'General case' 0 C--N 1.362 1.138 0 CA-C-O 118.489 -0.767 . . . . 72.31 110.953 -179.383 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.631 HG12 HG23 ' A' ' 9' ' ' THR . 40.0 mt -51.57 -47.76 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 N-CA-C 109.066 -0.716 . . . . 63.23 109.066 176.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 52.9 mttm -59.47 -50.89 72.16 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.334 -1.303 . . . . 72.0 110.786 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.561 ' HE2' HD11 ' A' ' 114' ' ' LEU . 57.7 mtpt -58.11 -45.15 87.74 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.349 1.059 . . . . 72.22 111.697 -176.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.594 ' O ' HG23 ' A' ' 22' ' ' VAL . 75.6 mt -58.84 -53.56 45.82 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 O-C-N 124.369 1.043 . . . . 62.4 109.292 178.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 53.6 mtmt -56.69 -37.23 70.58 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 124.053 0.846 . . . . 70.44 112.156 -177.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 14.6 mmmm -66.87 -38.74 86.9 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 123.688 0.617 . . . . 71.11 111.039 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 25.0 mm-40 -62.61 -46.6 87.51 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 123.452 0.47 . . . . 61.11 110.212 173.279 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.597 HG21 HD22 ' A' ' 55' ' ' LEU . 58.1 t -63.26 -36.6 76.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.643 1.177 . . . . 62.44 111.547 -174.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.09 -39.67 90.19 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.81 0.844 . . . . 74.03 110.441 174.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -67.97 -26.7 66.06 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.563 0.745 . . . . 64.13 111.385 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 10.2 mm-40 -91.78 -10.2 40.83 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.111 0.565 . . . . 74.15 111.283 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.4 18.1 63.02 Favored Glycine 0 C--N 1.353 1.514 0 N-CA-C 114.548 0.579 . . . . 61.42 114.548 172.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.493 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 2.4 m-85 -88.02 156.56 19.25 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.452 0.701 . . . . 64.22 110.215 178.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -78.72 115.43 18.41 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 109.214 -0.662 . . . . 64.21 109.214 175.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.2 t -85.77 117.27 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 122.782 0.433 . . . . 50.43 110.891 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.502 ' HB2' ' HA ' ' A' ' 56' ' ' ILE . 7.1 mpt_? -99.19 122.87 42.97 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.113 0.565 . . . . 75.43 109.515 169.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -93.31 114.19 26.58 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 106.657 -1.609 . . . . 62.21 106.657 155.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.477 HG12 HD13 ' A' ' 63' ' ' LEU . 84.0 t -116.4 118.01 57.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 107.282 -1.377 . . . . 72.23 107.282 173.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -117.09 -18.04 10.15 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.516 1.126 . . . . 75.23 108.574 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -132.49 152.25 51.61 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.202 1.001 . . . . 63.2 109.685 -172.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.8 p -66.1 -22.07 66.38 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.297 1.039 . . . . 71.15 112.957 -175.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.06 -37.25 69.69 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.234 0.613 . . . . 65.32 109.562 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -67.9 -37.27 81.51 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.154 -0.93 . . . . 61.02 111.771 -173.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.457 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.0 pp -71.74 -45.68 60.98 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 123.22 0.325 . . . . 74.11 110.639 -179.173 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 18.2 ptpt -70.18 -28.31 65.21 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 111.486 0.18 . . . . 72.54 111.486 -172.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -80.28 -30.75 38.35 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 122.636 0.375 . . . . 70.33 111.726 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -85.5 -24.26 27.42 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 117.831 0.287 . . . . 53.12 111.338 176.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.552 ' SD ' HD12 ' A' ' 45' ' ' LEU . 13.7 mmt -65.31 -21.61 66.73 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.283 0.633 . . . . 73.04 110.997 171.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 95.7 mttt -69.2 -39.89 78.36 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.549 0.74 . . . . 63.01 110.979 172.07 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -56.16 -40.82 74.45 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.438 0.695 . . . . 64.24 110.273 174.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.552 HD12 ' SD ' ' A' ' 42' ' ' MET . 61.1 mt -68.66 -44.44 74.08 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.292 -1.322 . . . . 64.13 110.519 177.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.65 -28.25 68.96 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.643 0.777 . . . . 65.22 112.328 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -81.1 -53.26 6.55 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.872 0.469 . . . . 41.44 111.5 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -89.43 137.06 32.66 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.922 0.489 . . . . 71.22 110.773 -174.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -74.46 -64.75 0.96 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.003 0.814 . . . . 75.42 112.308 -168.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -147.48 95.14 2.48 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.255 -0.646 . . . . 74.41 109.255 -176.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -122.29 -176.19 3.3 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.203 -1.036 . . . . 73.43 108.203 171.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -52.12 140.28 21.24 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.545 0.738 . . . . 73.22 111.864 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 148.52 47.74 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.304 0.573 . . . . 64.55 111.421 -176.344 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 54' ' ' ILE . 3.4 mp -109.99 146.46 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 114.648 -1.16 . . . . 54.22 109.089 -169.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.597 HD22 HG21 ' A' ' 22' ' ' VAL . 6.4 tt -113.13 118.46 34.78 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.613 -0.884 . . . . 65.55 108.613 175.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.502 ' HA ' ' HB2' ' A' ' 30' ' ' ARG . 20.0 mm -97.92 137.14 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 108.211 -1.033 . . . . 74.24 108.211 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.474 HG21 HG23 ' A' ' 15' ' ' ILE . 61.1 mt -116.57 133.43 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 107.339 -1.356 . . . . 71.15 107.339 165.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.1 t -137.26 123.43 20.46 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 108.355 -0.98 . . . . 71.22 108.355 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -70.11 -35.32 74.03 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 124.084 0.865 . . . . 75.54 110.224 -178.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.404 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 27.1 t70 -99.3 150.14 22.41 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.081 0.953 . . . . 72.44 112.207 -173.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -78.71 -37.88 40.42 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.339 1.056 . . . . 65.21 111.764 -176.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -66.97 -32.53 73.83 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.171 0.588 . . . . 74.14 109.942 -176.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.477 HD13 HG12 ' A' ' 32' ' ' VAL . 57.4 mt -65.77 -43.0 90.16 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 124.088 0.867 . . . . 71.25 110.188 177.213 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 8' ' ' ASN . 88.7 mt -53.61 -52.05 61.09 Favored 'General case' 0 C--N 1.364 1.207 0 O-C-N 124.256 0.972 . . . . 72.01 110.017 177.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -56.82 -45.41 82.3 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.665 1.228 . . . . 70.01 111.232 -175.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -56.16 -50.19 71.85 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 123.822 0.701 . . . . 74.02 111.239 176.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.514 ' HB2' HD21 ' A' ' 6' ' ' LEU . 33.5 mtt -61.68 -49.45 76.47 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 115.605 -0.725 . . . . 75.3 111.29 -178.085 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 79.9 mt -53.12 -38.01 62.26 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.959 0.904 . . . . 41.2 111.286 -176.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -76.51 -34.5 58.59 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.925 -1.034 . . . . 73.24 112.149 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.32 -52.98 33.83 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.739 0.416 . . . . 73.54 110.339 174.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.482 HG23 ' HB2' ' A' ' 76' ' ' TYR . 61.3 mt -56.8 -30.5 33.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 125.66 1.584 . . . . 72.13 111.289 178.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.3 t -55.53 -51.84 65.68 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.014 0.925 . . . . 71.42 110.888 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.86 -6.78 57.93 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 112.212 0.449 . . . . 72.43 112.212 176.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 71' ' ' ILE . 80.2 mt -76.05 -21.42 56.82 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.267 -0.642 . . . . 72.51 109.267 170.051 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.17 4.09 74.96 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-N 115.909 -0.587 . . . . 54.31 113.957 173.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.482 ' HB2' HG23 ' A' ' 71' ' ' ILE . 8.5 m-30 -80.95 159.96 24.77 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 117.078 0.439 . . . . 74.25 110.455 -176.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -71.05 115.62 10.4 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 108.362 -0.977 . . . . 62.41 108.362 174.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.3 t -88.51 106.5 16.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 N-CA-C 108.579 -0.897 . . . . 73.3 108.579 -174.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -114.66 137.97 51.26 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 106.992 -1.484 . . . . 73.2 106.992 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.493 HD22 HD11 ' A' ' 68' ' ' LEU . 51.7 tp -134.35 148.03 50.64 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 108.02 -1.104 . . . . 74.41 108.02 -177.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.553 HD23 HG13 ' A' ' 7' ' ' ILE . 43.4 tp -142.93 141.28 31.44 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 106.806 -1.554 . . . . 74.13 106.806 177.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.59 HD13 ' HB3' ' A' ' 90' ' ' LEU . 1.1 pp -147.24 146.38 29.77 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.849 0.46 . . . . 70.44 110.801 176.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.63 140.03 23.4 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 124.657 1.183 . . . . 71.31 108.137 176.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.47 ' N ' HD11 ' A' ' 90' ' ' LEU . 23.2 t70 -164.76 165.63 20.54 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.34 0.656 . . . . 70.24 110.166 -179.375 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -57.53 -55.18 38.18 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.614 1.565 . . . . 74.12 110.768 170.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.06 92.55 8.32 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 108.584 -0.895 . . . . 72.14 108.584 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -80.11 -6.55 57.88 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 115.785 -0.643 . . . . 73.3 111.354 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -72.91 -27.88 62.14 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.723 -0.611 . . . . 64.25 110.516 176.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -74.93 -37.06 62.11 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.971 0.508 . . . . 63.44 110.427 169.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.59 ' HB3' HD13 ' A' ' 82' ' ' LEU . 75.2 mt -64.9 -42.31 94.86 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.255 0.622 . . . . 53.42 112.497 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.05 -33.11 71.53 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.739 0.416 . . . . 72.44 110.712 -178.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -63.95 -47.75 79.23 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.701 1.2 . . . . 70.41 110.749 175.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.423 ' O ' HG12 ' A' ' 97' ' ' ILE . 60.4 t80 -65.78 -48.06 73.05 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.013 0.925 . . . . 74.32 110.073 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.446 ' HG3' HG22 ' A' ' 104' ' ' VAL . 19.7 ttpt -56.99 -53.35 59.06 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.844 1.258 . . . . 71.41 112.391 -174.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -61.47 -28.95 69.65 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.905 0.706 . . . . 73.14 112.905 -173.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 33.3 mmtp -72.0 -37.49 69.82 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.657 -0.701 . . . . 55.34 110.207 176.321 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 93' ' ' PHE . 45.0 mm -73.36 -35.51 46.41 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.42 0 C-N-CA 124.169 0.988 . . . . 64.53 111.913 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -55.05 -49.45 71.56 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.483 0.713 . . . . 74.44 111.693 176.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 91.9 p -65.2 -19.58 66.04 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.005 -0.998 . . . . 64.55 112.319 -177.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 75.1 mm-40 -76.97 -16.73 59.25 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.284 0.634 . . . . 74.15 111.52 177.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.96 9.67 48.18 Favored Glycine 0 C--N 1.347 1.183 0 O-C-N 123.66 0.6 . . . . 72.11 112.967 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -95.5 140.87 29.73 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.214 0.606 . . . . 74.0 109.848 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -78.15 126.15 30.39 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.758 -0.83 . . . . 75.14 108.758 173.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.446 HG22 ' HG3' ' A' ' 94' ' ' LYS . 2.1 p -138.95 120.04 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 123.063 0.545 . . . . 64.33 110.464 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -100.31 123.28 44.35 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 123.098 0.559 . . . . 75.2 109.504 -178.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.495 ' HA ' HD12 ' A' ' 82' ' ' LEU . 23.0 ttpp -102.13 121.46 42.26 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 108.839 -0.801 . . . . 75.21 108.839 176.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 31.0 m -133.77 163.35 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.559 0.744 . . . . 63.33 109.123 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 21.2 m -109.49 -52.12 2.8 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 123.763 0.825 . . . . 72.43 109.247 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.559 ' HB2' ' HG2' ' A' ' 112' ' ' GLU . 7.9 m-20 -74.26 143.18 45.18 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.227 -0.897 . . . . 60.1 110.792 -173.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.6 ' HB3' HD13 ' A' ' 14' ' ' LEU . 41.7 m-20 -62.65 -35.91 81.16 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.105 -1.407 . . . . 72.03 112.085 177.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.0 -33.61 73.95 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.637 0.775 . . . . 65.31 111.368 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.559 ' HG2' ' HB2' ' A' ' 109' ' ' ASP . 12.8 mm-40 -69.7 -38.64 77.04 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 122.884 0.474 . . . . 65.44 109.935 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.87 -45.57 88.85 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.722 0.639 . . . . 73.11 111.367 176.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.561 HD11 ' HE2' ' A' ' 17' ' ' LYS . 89.7 mt -61.49 -38.07 85.98 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.506 0.722 . . . . 63.04 110.83 176.59 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.7 tmmt? -65.34 -39.21 92.1 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.817 0.847 . . . . 65.01 110.865 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.494 ' HA ' ' HG2' ' A' ' 119' ' ' GLU . 45.4 mm -67.35 -38.35 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 O-C-N 123.571 0.544 . . . . 74.11 110.452 177.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.416 HG21 HG23 ' A' ' 18' ' ' ILE . 67.7 t -60.72 -45.84 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.481 0.712 . . . . 42.11 110.342 174.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.52 -48.97 65.51 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.466 0.706 . . . . 54.21 111.466 -177.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.494 ' HG2' ' HA ' ' A' ' 116' ' ' ILE . 11.5 pt-20 -65.62 -26.75 67.96 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 119.205 -0.426 . . . . 61.42 111.487 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -58.83 -35.03 72.23 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 118.156 0.435 . . . . 75.13 110.582 173.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.493 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 14.8 mmt -60.58 -29.62 69.3 Favored 'General case' 0 CA--C 1.558 1.25 0 C-N-CA 122.76 0.424 . . . . 73.24 111.686 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 4.7 pt20 . . . . . 0 N--CA 1.484 1.261 0 C-N-CA 123.125 0.57 . . . . 73.43 112.102 177.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.9 tttt . . . . . 0 C--O 1.242 0.675 0 CA-C-O 121.249 0.547 . . . . 55.45 110.11 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 2.2 mp0 -119.01 154.7 32.66 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.425 1.09 . . . . 55.4 108.623 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -118.39 112.58 20.18 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.575 -0.898 . . . . 73.02 108.575 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.426 HG23 ' HG ' ' A' ' 55' ' ' LEU . 7.4 tt -100.38 124.62 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 109.19 -0.67 . . . . 53.22 109.19 177.41 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 mp -107.17 122.34 46.31 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.657 -0.868 . . . . 74.31 108.657 177.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.64 HG21 HD13 ' A' ' 18' ' ' ILE . 2.5 mp -101.15 129.45 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 108.195 -1.039 . . . . 73.54 108.195 174.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.654 ' HB2' HD11 ' A' ' 64' ' ' LEU . 7.1 t-20 -106.72 115.54 30.37 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.15 -1.055 . . . . 64.11 108.15 170.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.568 HG23 HG12 ' A' ' 15' ' ' ILE . 1.8 t -139.03 112.11 7.97 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 123.745 0.653 . . . . 75.5 109.408 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -84.99 -18.41 34.55 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 115.242 -0.89 . . . . 74.32 109.947 173.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.484 ' O ' HG13 ' A' ' 15' ' ' ILE . 48.7 t-20 -72.63 105.26 4.18 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 108.516 -0.92 . . . . 71.14 108.516 178.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -54.95 -46.44 74.99 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.721 1.208 . . . . 73.3 111.894 -172.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -65.65 -40.86 92.91 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 114.877 -1.056 . . . . 71.45 110.731 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 110' ' ' ASP . 39.3 tp -64.18 -37.41 87.35 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.462 0.705 . . . . 74.3 111.144 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.582 HG22 ' HE3' ' A' ' 19' ' ' LYS . 14.2 mt -54.89 -47.23 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 CA-C-O 121.148 0.499 . . . . 73.13 109.878 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -59.4 -46.98 87.19 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 114.595 -1.184 . . . . 74.31 111.295 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -64.01 -42.06 97.26 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.936 0.894 . . . . 74.42 111.647 -176.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.64 HD13 HG21 ' A' ' 7' ' ' ILE . 77.8 mt -58.93 -50.54 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.326 0.651 . . . . 63.31 109.398 177.157 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.582 ' HE3' HG22 ' A' ' 15' ' ' ILE . 98.1 mttt -52.53 -39.46 61.4 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 124.109 0.881 . . . . 71.53 112.444 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -64.76 -46.51 81.85 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.4 0.437 . . . . 71.33 110.258 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -62.25 -37.83 86.92 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.544 0.737 . . . . 63.12 111.977 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 18' ' ' ILE . 58.9 t -65.23 -36.3 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.302 1.041 . . . . 71.51 110.653 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.03 -42.15 94.61 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.865 -0.607 . . . . 60.45 110.0 174.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -67.4 -30.23 69.95 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.109 0.564 . . . . 73.3 111.164 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -78.92 -21.11 47.82 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.592 0.757 . . . . 72.11 111.013 177.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.06 22.6 54.58 Favored Glycine 0 C--N 1.345 1.063 0 CA-C-N 116.497 -0.32 . . . . 65.12 113.025 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.474 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 3.4 m-85 -97.0 158.51 15.39 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.919 0.888 . . . . 61.51 109.707 175.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.528 ' HB2' HG23 ' A' ' 54' ' ' ILE . 1.9 mp0 -82.67 112.66 19.74 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.784 -0.821 . . . . 73.41 108.784 -177.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.3 t -70.4 99.82 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 109.185 -0.672 . . . . 75.53 109.185 173.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.517 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 0.7 OUTLIER -119.97 107.16 12.77 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 107.631 -1.248 . . . . 65.43 107.631 178.89 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -123.88 117.1 24.08 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 121.466 0.651 . . . . 72.23 111.906 -170.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.63 HG21 ' SD ' ' A' ' 67' ' ' MET . 54.7 t -79.5 129.88 36.91 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 C-N-CA 125.408 1.483 . . . . 71.01 110.616 175.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -133.72 15.46 3.99 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.126 0.57 . . . . 75.22 110.434 173.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -161.01 152.83 19.64 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.898 0.879 . . . . 74.41 110.476 -176.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.9 m -65.69 -35.74 81.63 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.476 1.111 . . . . 75.25 113.03 -174.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.479 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 5.2 m-20 -83.15 -19.24 37.01 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.804 0.442 . . . . 72.01 111.177 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 18.5 mm-40 -72.61 -36.68 68.13 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.384 -0.371 . . . . 74.45 111.077 174.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.491 ' HB3' HG11 ' A' ' 32' ' ' VAL . 1.9 pp -64.66 -41.53 96.04 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 118.147 0.431 . . . . 70.03 111.023 -174.045 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 17.2 ptpt -69.83 -36.57 75.7 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.768 -0.651 . . . . 75.4 111.19 -173.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 22.9 ptmt -75.47 -26.11 57.94 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.177 0.591 . . . . 74.54 110.935 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.41 ' OE1' ' HG3' ' A' ' 30' ' ' ARG . 37.1 mt-10 -77.66 -32.64 53.32 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.995 0.918 . . . . 71.24 111.054 174.389 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.406 ' HG3' HD12 ' A' ' 70' ' ' LEU . 34.6 mmt -72.27 -28.83 63.37 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.013 0.525 . . . . 44.15 111.329 175.186 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 98.2 mttt -62.89 -37.38 86.71 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.75 0.42 . . . . 74.24 110.606 174.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -61.64 -27.4 68.64 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.974 0.91 . . . . 73.44 113.016 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.438 ' HB3' ' HE2' ' A' ' 76' ' ' TYR . 76.5 mt -73.01 -34.83 66.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 122.821 0.448 . . . . 74.33 110.726 175.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.61 -33.13 53.85 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.722 0.809 . . . . 64.11 111.351 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -77.92 -48.25 16.78 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.022 0.929 . . . . 72.43 110.867 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -104.84 116.3 31.77 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.046 0.938 . . . . 64.12 108.525 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -101.34 -66.19 0.93 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.086 0.554 . . . . 72.2 110.678 -175.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -91.67 98.11 11.44 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.642 0.777 . . . . 73.4 111.061 -168.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.53 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -171.06 -179.72 2.82 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.323 1.049 . . . . 63.21 109.939 173.064 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.36 144.11 56.75 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 121.194 0.521 . . . . 74.22 110.119 176.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 40.1 pttt -67.01 157.24 33.96 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.908 -1.042 . . . . 75.41 112.667 -174.211 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.53 HD11 ' CZ ' ' A' ' 51' ' ' PHE . 2.9 mp -109.28 143.04 20.21 Favored 'Isoleucine or valine' 0 C--O 1.245 0.821 0 CA-C-N 114.693 -1.139 . . . . 42.22 108.715 -168.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.543 HD22 HG21 ' A' ' 22' ' ' VAL . 9.0 tt -104.78 117.03 33.05 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.462 -0.94 . . . . 74.21 108.462 174.274 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 18.4 mm -97.23 137.06 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 123.668 0.787 . . . . 70.14 109.078 177.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 56.0 mt -116.49 147.98 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 107.64 -1.245 . . . . 71.13 107.64 167.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.5 t -146.02 146.14 30.86 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 123.765 0.826 . . . . 62.42 109.019 174.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -94.59 -5.07 46.65 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.704 -0.68 . . . . 71.24 112.242 -175.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -144.36 153.37 41.9 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.16 0.505 . . . . 73.2 111.927 -176.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HA ' HD12 ' A' ' 64' ' ' LEU . 47.2 mmtm -68.7 -32.56 72.45 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.622 1.169 . . . . 74.11 112.552 -177.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.02 -35.51 80.08 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.957 0.503 . . . . 64.52 110.682 -177.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.557 HD13 HG12 ' A' ' 32' ' ' VAL . 49.3 mt -73.56 -42.54 61.52 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-N 115.426 -0.806 . . . . 74.51 109.319 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.654 HD11 ' HB2' ' A' ' 8' ' ' ASN . 95.4 mt -52.79 -57.34 10.51 Favored 'General case' 0 C--N 1.361 1.072 0 O-C-N 124.192 0.933 . . . . 74.44 110.041 173.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -49.77 -48.91 50.13 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.057 1.343 . . . . 61.42 111.467 -171.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -59.86 -54.63 43.98 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.085 -0.962 . . . . 51.42 112.063 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.63 ' SD ' HG21 ' A' ' 32' ' ' VAL . 77.9 mtm -61.81 -46.74 88.19 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 123.505 0.503 . . . . 65.54 111.913 -176.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.484 HD13 HD12 ' A' ' 97' ' ' ILE . 83.9 mt -50.15 -42.75 51.42 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.799 1.24 . . . . 74.01 111.494 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -72.49 -44.49 62.2 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.36 -0.836 . . . . 74.33 111.402 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.406 HD12 ' HG3' ' A' ' 42' ' ' MET . 88.6 mt -61.94 -48.76 78.99 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.979 0.512 . . . . 73.34 111.387 -177.159 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 80.3 mt -58.17 -33.06 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 C-N-CA 125.014 1.325 . . . . 73.14 111.759 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -60.7 -50.4 73.64 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.595 0.758 . . . . 73.01 111.056 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.9 -6.77 58.68 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 112.187 0.44 . . . . 63.34 112.187 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.4 HD13 ' HB2' ' A' ' 45' ' ' LEU . 83.5 mt -73.61 -26.66 60.9 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 109.404 -0.591 . . . . 74.11 109.404 165.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.26 59.93 1.52 Allowed Glycine 0 C--N 1.347 1.146 0 CA-C-N 115.967 -0.56 . . . . 45.44 111.875 173.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.438 ' HE2' ' HB3' ' A' ' 45' ' ' LEU . 39.6 m-85 -131.29 161.33 32.56 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.167 0.987 . . . . 74.11 109.226 173.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -80.62 112.86 18.38 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 108.166 -1.05 . . . . 64.32 108.166 174.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.3 t -89.66 118.5 35.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 115.782 -0.645 . . . . 51.23 109.924 -170.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -113.06 143.55 44.14 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.052 -1.092 . . . . 71.44 108.052 175.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.1 tp -135.34 147.79 49.24 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.351 1.06 . . . . 75.03 108.716 177.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.5 tp -147.16 114.06 6.12 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 107.17 -1.418 . . . . 74.12 107.17 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 106' ' ' LYS . 1.0 OUTLIER -119.73 145.92 46.11 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.003 0.521 . . . . 65.34 110.89 -176.58 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.07 143.28 40.41 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 123.192 0.597 . . . . 60.13 109.867 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -168.1 162.06 12.88 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.816 0.846 . . . . 74.11 108.958 168.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -68.22 -30.73 69.86 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 122.948 0.499 . . . . 75.13 111.117 176.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -88.41 120.0 29.37 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 107.675 -1.231 . . . . 75.15 107.675 170.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.601 ' HG2' ' HD3' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -89.3 -25.1 21.83 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.814 1.246 . . . . 72.44 111.111 -174.349 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.453 ' O ' ' HG3' ' A' ' 92' ' ' GLU . 17.0 m120 -80.98 -30.43 35.08 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 112.735 0.643 . . . . 74.04 112.735 -172.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -69.3 -32.99 72.5 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.172 0.511 . . . . 74.22 109.788 172.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.453 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.8 mt -64.66 -38.06 89.7 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.065 -0.97 . . . . 54.43 111.428 177.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.48 ' HB3' ' NZ ' ' A' ' 106' ' ' LYS . 11.6 pt-20 -75.52 -29.88 59.6 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 123.225 0.328 . . . . 72.12 111.502 -178.38 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 88' ' ' ASN . 51.1 mt-10 -67.49 -40.98 85.23 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 123.02 0.528 . . . . 70.34 110.716 178.205 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.492 ' O ' HG12 ' A' ' 97' ' ' ILE . 65.6 t80 -69.48 -43.75 72.54 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.134 -0.485 . . . . 74.32 109.843 172.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -62.08 -44.24 97.09 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.701 0.8 . . . . 71.24 112.613 -172.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.02 -32.08 70.55 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.089 0.556 . . . . 61.45 111.439 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -64.56 -41.81 96.08 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.748 0.819 . . . . 73.11 110.467 173.533 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 93' ' ' PHE . 27.4 mm -74.04 -40.84 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 124.105 0.962 . . . . 72.45 111.053 -175.017 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.39 -31.19 71.82 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.644 1.178 . . . . 72.32 111.222 171.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.7 t -67.7 -34.26 76.53 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.207 0.603 . . . . 60.51 110.155 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 86.5 mm-40 -77.54 -21.34 52.76 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.339 0.656 . . . . 54.43 110.83 175.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.02 6.78 61.57 Favored Glycine 0 C--N 1.344 1.008 0 CA-C-O 119.648 -0.529 . . . . 54.33 113.718 175.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.46 ' HB2' HG22 ' A' ' 97' ' ' ILE . 8.9 m-85 -75.17 142.21 43.55 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 109.335 -0.617 . . . . 74.43 109.335 -178.033 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -74.13 88.08 1.93 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.356 0.663 . . . . 71.34 109.761 -178.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.3 p -101.97 139.62 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 123.448 0.699 . . . . 74.1 110.451 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -118.64 144.03 46.43 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 125.256 1.422 . . . . 71.44 108.812 175.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.601 ' HD3' ' HG2' ' A' ' 87' ' ' GLU . 30.6 ttmt -115.75 138.24 51.32 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.21 0.604 . . . . 71.41 109.581 174.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.8 m -143.57 -178.26 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.829 0 C-N-CA 124.329 1.051 . . . . 64.21 108.87 172.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 52.3 m -133.79 -48.21 0.81 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.361 0.664 . . . . 75.2 109.782 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -84.21 156.26 22.12 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.634 -0.712 . . . . 74.55 111.42 -172.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.431 ' HA ' HD22 ' A' ' 14' ' ' LEU . 8.7 t70 -51.85 -53.73 37.1 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.358 1.463 . . . . 64.53 111.267 176.057 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 11.0 pt-20 -62.94 -38.79 92.43 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.585 0.553 . . . . 74.23 111.116 -173.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.91 -36.97 85.69 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.525 0.73 . . . . 72.33 111.205 -175.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.97 81.03 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.742 -0.663 . . . . 73.42 110.663 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.36 -33.53 75.72 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.266 0.626 . . . . 73.23 111.375 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 111' ' ' GLU . 68.1 mttm -60.08 -52.23 66.24 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.474 0.71 . . . . 74.13 110.473 177.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.408 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 25.3 mt -74.82 -24.45 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 O-C-N 123.912 0.758 . . . . 74.43 112.052 -172.531 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 62.1 t -53.51 -43.74 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 N-CA-C 109.641 -0.503 . . . . 75.02 109.641 166.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -76.74 -38.26 54.54 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.935 -0.575 . . . . 71.42 111.562 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 17.5 mm-40 -64.01 -25.76 68.27 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.78 0.432 . . . . 73.22 112.121 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.442 ' HD2' ' SD ' ' A' ' 121' ' ' MET . 65.7 t80 -56.92 -47.61 80.19 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.849 0.46 . . . . 73.54 110.648 169.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.474 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 13.3 mmt -56.5 -29.49 61.88 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.725 1.265 . . . . 73.05 112.041 -169.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 . . . . . 0 CA--C 1.556 1.192 0 C-N-CA 123.058 0.543 . . . . 74.34 111.668 173.86 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 80.3 tttt . . . . . 0 C--O 1.238 0.47 0 N-CA-C 108.31 -0.996 . . . . 75.24 108.31 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.449 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 3.4 mp0 -88.89 139.86 30.02 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 114.683 -1.144 . . . . 65.53 109.887 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.403 ' HB3' HD13 ' A' ' 71' ' ' ILE . 4.5 mm? -119.52 109.9 16.26 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 107.382 -1.34 . . . . 63.33 107.382 175.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.414 HG23 ' HG ' ' A' ' 55' ' ' LEU . 8.7 tt -105.59 131.3 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 C-N-CA 123.576 0.75 . . . . 74.31 109.119 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -111.74 119.87 40.08 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 107.999 -1.111 . . . . 73.14 107.999 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.466 HG21 HD13 ' A' ' 18' ' ' ILE . 2.1 mp -99.2 126.43 52.48 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.518 0 N-CA-C 108.284 -1.006 . . . . 70.21 108.284 176.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.642 ' HB2' HD11 ' A' ' 64' ' ' LEU . 6.6 t-20 -105.52 116.65 32.3 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 108.037 -1.098 . . . . 72.21 108.037 173.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.597 HG23 HG12 ' A' ' 15' ' ' ILE . 1.6 t -145.72 122.1 10.96 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.075 0.55 . . . . 72.04 110.02 175.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -100.99 -2.42 31.77 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.749 0.82 . . . . 54.33 110.403 172.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.495 ' O ' HG13 ' A' ' 15' ' ' ILE . 46.5 t-20 -78.07 98.38 5.74 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 107.86 -1.163 . . . . 71.23 107.86 173.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -47.06 -43.24 19.84 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 125.747 1.619 . . . . 42.44 113.119 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.46 -55.75 24.71 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.213 -0.903 . . . . 73.15 110.982 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.459 ' O ' HG13 ' A' ' 18' ' ' ILE . 52.0 tp -58.37 -36.41 73.45 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.231 0.957 . . . . 72.41 112.211 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.597 HG12 HG23 ' A' ' 9' ' ' THR . 32.9 mt -55.13 -50.4 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 CA-C-O 121.132 0.492 . . . . 54.41 110.077 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 mtmp? -64.25 -38.77 92.24 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 114.732 -1.122 . . . . 74.15 111.242 -179.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -67.16 -39.51 86.51 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.446 0.698 . . . . 70.33 111.163 -178.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.545 ' O ' HG23 ' A' ' 22' ' ' VAL . 69.3 mt -62.94 -44.92 99.93 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 O-C-N 123.699 0.624 . . . . 64.43 109.318 176.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.524 ' HE3' HG22 ' A' ' 15' ' ' ILE . 97.3 mttt -52.47 -48.84 65.63 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 123.799 0.687 . . . . 73.12 111.661 177.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -65.55 -36.87 85.05 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.324 0.65 . . . . 61.53 111.217 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 48.3 mm-40 -68.37 -38.5 81.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.736 0.814 . . . . 74.04 112.084 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 18' ' ' ILE . 89.2 t -72.15 -30.77 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.908 0.883 . . . . 73.42 110.476 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -65.72 -37.74 87.25 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.529 -0.76 . . . . 71.4 110.17 171.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -69.15 -34.73 75.46 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.235 0.614 . . . . 71.23 110.607 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 79.0 mm-40 -77.33 -16.87 58.71 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.948 0.499 . . . . 74.14 110.638 178.35 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.62 4.95 79.22 Favored Glycine 0 C--N 1.349 1.279 0 C-N-CA 122.888 0.28 . . . . 73.1 113.551 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.41 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 2.1 m-85 -86.96 155.42 20.2 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.658 0.783 . . . . 71.4 109.4 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.74 118.05 23.09 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.782 -0.645 . . . . 72.45 109.73 -173.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.1 t -79.07 114.65 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 109.377 -0.601 . . . . 73.33 109.377 175.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.467 ' HD2' HG21 ' A' ' 54' ' ' ILE . 93.8 mtt-85 -124.68 105.58 9.43 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 108.186 -1.042 . . . . 75.31 108.186 168.397 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -99.49 134.92 41.66 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 121.351 0.596 . . . . 74.02 110.131 -177.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.501 HG11 ' HB3' ' A' ' 38' ' ' LEU . 78.0 t -109.24 120.64 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 124.659 1.184 . . . . 72.53 108.662 -175.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -107.56 -15.48 14.59 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.875 0.87 . . . . 72.15 110.743 -178.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -153.65 164.8 37.66 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.536 0.734 . . . . 74.41 109.86 -173.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.7 p -58.76 -31.27 68.19 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.823 0.849 . . . . 61.52 111.483 175.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -77.13 -21.0 54.84 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.597 -0.729 . . . . 74.32 110.121 -178.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 55.9 mm-40 -77.13 -38.38 52.19 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.94 -0.573 . . . . 72.42 112.069 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.516 ' O ' ' HG2' ' A' ' 42' ' ' MET . 4.0 pp -70.94 -39.59 72.55 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 119.022 0.828 . . . . 72.12 110.702 -177.083 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -37.94 84.05 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.676 0.39 . . . . 72.44 111.578 -176.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 21.1 ptmt -74.41 -28.84 61.26 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.399 0.68 . . . . 71.01 110.994 -175.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 5.1 mm-40 -85.35 -27.84 25.61 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.588 0.755 . . . . 52.14 111.103 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.516 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 85.4 mmm -69.56 -30.71 68.57 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 122.754 0.421 . . . . 65.43 110.165 173.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -58.08 -49.09 78.12 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 115.3 -0.864 . . . . 62.33 110.493 172.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.453 ' HG3' ' NH1' ' A' ' 30' ' ' ARG . 75.9 mmtt -56.45 -39.1 72.58 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.068 0.947 . . . . 65.23 111.969 -177.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.2 mt -68.82 -34.72 75.98 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 114.933 -1.03 . . . . 63.54 110.976 178.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.69 -41.77 36.86 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.868 0.867 . . . . 75.11 111.738 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -77.32 -55.06 5.73 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.025 0.53 . . . . 55.44 111.368 -171.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -71.36 133.21 45.81 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.687 -0.688 . . . . 64.41 109.556 -177.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -104.4 -63.13 1.24 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.535 0.734 . . . . 63.14 110.623 -176.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -85.72 92.28 8.55 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.087 0.47 . . . . 73.13 110.265 -176.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -162.32 168.95 21.4 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.143 0.977 . . . . 70.14 110.024 174.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -81.25 -169.69 2.39 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.414 0.686 . . . . 72.13 110.655 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.449 ' HD3' ' HB2' ' A' ' 3' ' ' GLU . 13.1 ptpt -85.74 146.08 26.97 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.206 0.527 . . . . 74.31 110.068 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.467 HG21 ' HD2' ' A' ' 30' ' ' ARG . 3.3 mp -109.64 142.14 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.835 0.854 . . . . 72.42 109.285 -174.168 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.541 HD22 HG21 ' A' ' 22' ' ' VAL . 8.0 tt -97.47 117.15 31.08 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 123.397 0.679 . . . . 73.32 109.222 175.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.548 HG21 ' SD ' ' A' ' 67' ' ' MET . 31.6 mm -98.38 133.88 39.02 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 123.96 0.904 . . . . 72.23 109.054 178.053 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 56.8 mt -111.02 149.17 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 107.163 -1.421 . . . . 73.13 107.163 167.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.3 t -143.3 131.72 22.21 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.47 1.108 . . . . 73.11 108.238 174.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -94.18 17.35 12.78 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.047 0.939 . . . . 70.53 111.038 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -154.25 145.26 22.7 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.797 0.839 . . . . 55.13 110.216 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -82.72 -27.39 31.19 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.991 0.916 . . . . 73.23 112.679 -172.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -71.93 -32.15 67.06 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 109.181 -0.674 . . . . 75.42 109.181 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.483 HD13 HG12 ' A' ' 32' ' ' VAL . 68.2 mt -65.26 -37.64 87.84 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 115.218 -0.901 . . . . 74.34 110.431 175.059 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.642 HD11 ' HB2' ' A' ' 8' ' ' ASN . 89.9 mt -57.38 -56.38 22.6 Favored 'General case' 0 C--N 1.366 1.289 0 O-C-N 124.079 0.862 . . . . 73.23 109.813 175.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -47.77 -53.16 16.15 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.169 1.388 . . . . 75.23 111.836 -173.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -62.33 -50.7 70.58 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 124.445 1.091 . . . . 74.3 111.754 178.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.548 ' SD ' HG21 ' A' ' 56' ' ' ILE . 24.0 ttm -62.03 -40.28 95.16 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.093 0.957 . . . . 52.5 111.456 -173.228 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.449 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 76.9 mt -54.69 -42.81 71.87 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.982 1.313 . . . . 73.34 111.373 177.087 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -75.78 -30.09 58.99 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.024 -0.989 . . . . 43.55 111.221 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.58 -38.42 84.02 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.014 0.526 . . . . 71.33 110.619 174.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.403 HD13 ' HB3' ' A' ' 4' ' ' LEU . 63.9 mt -72.16 -29.33 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 123.619 0.767 . . . . 73.53 110.071 176.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.8 t -68.02 -45.93 72.64 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.505 -0.771 . . . . 61.33 110.36 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -25.13 63.18 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.24 0.216 . . . . 55.33 111.341 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.86 -47.13 66.7 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 109.424 -0.584 . . . . 52.12 109.424 171.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.9 70.32 0.99 Allowed Glycine 0 C--N 1.344 1.01 0 CA-C-N 115.719 -0.673 . . . . 73.23 112.277 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -135.04 160.3 38.77 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.064 0.945 . . . . 71.23 109.443 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -73.15 115.09 12.07 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.367 -0.975 . . . . 63.43 108.367 171.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.2 t -97.18 115.67 37.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 123.408 0.683 . . . . 72.22 109.746 -173.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -104.65 143.09 33.55 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 107.666 -1.235 . . . . 72.32 107.666 172.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.504 HD11 HD13 ' A' ' 64' ' ' LEU . 61.4 tp -140.31 97.37 3.21 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.368 0.667 . . . . 71.12 109.625 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 40.7 tp -91.51 114.3 26.79 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 107.615 -1.254 . . . . 64.31 107.615 173.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 pp -120.81 146.97 45.98 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.35 0.523 . . . . 73.02 111.515 -175.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.433 ' HB3' HG23 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -147.22 157.73 43.7 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 123.988 0.915 . . . . 70.31 109.469 174.544 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.428 ' N ' HD11 ' A' ' 90' ' ' LEU . 22.6 t70 -161.12 174.57 13.5 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 114.424 -1.262 . . . . 72.12 108.099 176.317 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -62.4 -28.43 69.78 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.076 1.35 . . . . 75.13 111.608 174.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -129.13 134.81 48.21 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.019 0.927 . . . . 74.04 111.11 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.516 ' HA ' HD12 ' A' ' 90' ' ' LEU . 34.0 tt0 -81.92 -16.29 51.05 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.595 1.158 . . . . 73.13 112.411 -174.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -62.15 -48.58 79.46 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 122.943 0.497 . . . . 72.2 110.782 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -70.17 -22.04 63.0 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.328 -0.851 . . . . 71.04 111.296 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 87' ' ' GLU . 90.7 mt -82.4 -38.63 23.82 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.017 0.927 . . . . 72.01 112.09 -179.273 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.04 -35.44 64.33 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 110.008 -0.367 . . . . 71.21 110.008 -176.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 16.3 pt-20 -74.61 -37.61 62.79 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 116.002 -0.545 . . . . 74.14 110.406 177.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.549 ' O ' HG12 ' A' ' 97' ' ' ILE . 12.4 t80 -62.45 -51.76 66.24 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 108.919 -0.771 . . . . 53.14 108.919 176.188 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -54.06 -47.43 71.66 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.196 0.998 . . . . 70.34 111.709 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -69.09 -20.18 64.07 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 112.359 0.503 . . . . 75.33 112.359 -173.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 70.5 mmtt -71.6 -47.86 51.94 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.737 0.78 . . . . 60.44 109.307 169.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.549 HG12 ' O ' ' A' ' 93' ' ' PHE . 33.3 mm -69.43 -27.02 32.65 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.096 0 CA-C-N 114.291 -1.322 . . . . 74.21 111.474 -173.574 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -53.75 -45.05 70.44 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.319 1.047 . . . . 45.13 111.156 167.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.2 t -72.99 -19.55 61.19 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.779 0.831 . . . . 73.4 111.455 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -79.7 -19.99 47.58 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.105 0.562 . . . . 62.42 110.861 173.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.65 24.55 42.03 Favored Glycine 0 C--N 1.351 1.394 0 CA-C-N 115.988 -0.551 . . . . 73.12 112.875 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.51 ' HB2' HG22 ' A' ' 97' ' ' ILE . 11.1 m-30 -97.28 148.07 23.5 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.875 0.47 . . . . 72.5 109.832 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -78.07 88.22 4.2 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.471 0.653 . . . . 75.52 109.702 177.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.429 HG11 ' HB ' ' A' ' 97' ' ' ILE . 2.8 p -105.77 121.31 57.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-O 121.618 0.723 . . . . 74.43 110.502 -176.172 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -109.92 138.06 46.83 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 124.592 1.157 . . . . 74.35 109.394 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -111.99 129.83 56.06 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 123.595 0.758 . . . . 75.25 110.359 -175.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.433 HG23 ' HB3' ' A' ' 83' ' ' GLN . 32.7 m -138.37 175.09 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 108.063 -1.088 . . . . 55.11 108.063 173.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.1 m -141.42 -39.8 0.39 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.159 0.584 . . . . 62.05 109.76 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.435 ' HB3' ' HG3' ' A' ' 112' ' ' GLU . 13.7 t70 -86.13 156.01 20.53 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.33 -0.85 . . . . 72.31 110.509 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -53.79 -53.94 45.22 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.591 1.556 . . . . 71.13 111.962 177.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 9.8 pt-20 -63.2 -39.39 94.51 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 115.648 -0.705 . . . . 71.12 110.899 -174.494 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.435 ' HG3' ' HB3' ' A' ' 109' ' ' ASP . 61.5 mt-10 -61.77 -36.22 80.42 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 123.932 0.893 . . . . 73.23 111.397 -176.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.11 -47.89 82.59 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.656 -0.702 . . . . 64.12 110.465 176.266 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.408 HD22 ' HG3' ' A' ' 21' ' ' GLU . 74.0 mt -69.29 -25.28 64.16 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.502 0.721 . . . . 73.03 111.327 -176.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 111' ' ' GLU . 29.7 mmmt -60.06 -54.85 41.04 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.469 0.708 . . . . 63.34 109.822 173.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.528 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 12.1 mt -77.75 -23.57 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 115.374 -0.83 . . . . 61.31 111.875 -173.155 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 113' ' ' ALA . 78.2 t -56.46 -47.12 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 N-CA-C 109.35 -0.611 . . . . 71.1 109.35 168.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -71.08 -42.36 69.48 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 116.296 -0.411 . . . . 71.44 111.201 177.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.528 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 40.2 mt-10 -57.67 -37.05 72.74 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.085 0.554 . . . . 74.33 111.697 177.481 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -56.74 -41.26 77.23 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.873 0.469 . . . . 54.04 110.679 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.41 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 14.6 mmt -62.08 -23.88 66.77 Favored 'General case' 0 CA--C 1.553 1.074 0 O-C-N 123.921 0.763 . . . . 75.23 111.886 -174.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 20.6 pt20 . . . . . 0 N--CA 1.489 1.49 0 C-N-CA 122.8 0.44 . . . . 75.53 111.998 173.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? . . . . . 0 N--CA 1.469 0.484 0 N-CA-C 106.686 -1.598 . . . . 73.35 106.686 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 1.9 mp0 -99.53 137.39 38.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.127 0.571 . . . . 61.01 110.007 -178.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.441 HD23 HG23 ' A' ' 71' ' ' ILE . 3.8 mm? -118.04 113.11 21.15 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.36 -1.348 . . . . 64.43 107.36 173.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 tt -103.27 118.6 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 108.73 -0.841 . . . . 74.31 108.73 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 6' ' ' LEU . 3.9 mp -102.26 118.81 37.68 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.682 -0.859 . . . . 72.32 108.682 -176.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.679 HG21 HD13 ' A' ' 18' ' ' ILE . 2.2 mp -100.44 121.53 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 107.855 -1.165 . . . . 72.0 107.855 176.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.599 ' HB2' HD11 ' A' ' 64' ' ' LEU . 3.8 t-20 -111.13 112.05 23.57 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.295 -0.631 . . . . 73.24 109.295 173.26 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.2 t -146.96 135.4 21.86 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.135 -0.691 . . . . 61.14 109.135 165.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -76.58 -23.17 53.5 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.391 0.676 . . . . 74.4 109.793 173.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -68.56 93.26 0.49 Allowed 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 108.583 -0.895 . . . . 73.22 108.583 -178.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -61.3 -30.86 70.75 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.301 1.04 . . . . 71.41 112.379 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.52 -42.5 99.55 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.997 0.919 . . . . 72.45 109.521 176.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 110' ' ' ASP . 67.5 tp -69.7 -41.78 74.94 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 115.027 -0.988 . . . . 65.34 110.812 176.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.526 HG22 ' HE3' ' A' ' 19' ' ' LYS . 67.2 mt -53.23 -42.0 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 123.678 0.611 . . . . 75.25 110.087 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -61.9 -42.7 99.39 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 124.221 0.95 . . . . 75.42 111.614 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -64.51 -43.09 95.19 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.911 0.484 . . . . 62.34 110.392 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.679 HD13 HG21 ' A' ' 7' ' ' ILE . 82.7 mt -61.9 -40.57 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 124.37 1.044 . . . . 60.15 109.587 178.345 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.679 ' HG2' HG11 ' A' ' 29' ' ' VAL . 98.9 mttt -53.79 -56.18 19.81 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 124.081 0.863 . . . . 71.22 109.493 175.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -70.82 -21.05 62.51 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 112.677 0.621 . . . . 72.33 112.677 -172.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -64.31 -58.58 6.12 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 108.966 -0.753 . . . . 63.21 108.966 167.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.495 HG13 ' HB2' ' A' ' 27' ' ' TYR . 90.4 t -68.13 -33.97 63.96 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 CA-C-N 114.068 -1.424 . . . . 70.54 111.845 -170.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.48 -40.34 92.99 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.972 0.909 . . . . 52.5 109.84 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -78.77 -22.22 46.72 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.398 0.679 . . . . 72.22 111.051 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -87.89 -6.18 58.2 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.181 0.592 . . . . 61.12 111.369 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.0 6.43 66.98 Favored Glycine 0 C--N 1.348 1.202 0 N-CA-C 114.224 0.45 . . . . 43.21 114.224 170.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.495 ' HB2' HG13 ' A' ' 22' ' ' VAL . 2.4 m-85 -93.24 144.62 25.12 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.746 0.818 . . . . 64.11 109.301 177.56 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -76.86 133.15 39.4 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.581 -0.526 . . . . 73.15 109.581 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.679 HG11 ' HG2' ' A' ' 19' ' ' LYS . 20.1 t -96.1 108.84 21.78 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 N-CA-C 108.765 -0.828 . . . . 75.41 108.765 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.514 ' HB3' ' HA ' ' A' ' 56' ' ' ILE . 11.4 tpp180 -90.5 142.84 27.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.857 -1.164 . . . . 74.24 107.857 171.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -125.98 137.86 53.71 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.018 -0.734 . . . . 64.35 109.018 169.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.59 HG12 HD13 ' A' ' 63' ' ' LEU . 98.8 t -127.58 119.32 51.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 107.689 -1.226 . . . . 64.42 107.689 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -110.21 -16.6 13.72 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.134 0.974 . . . . 75.25 109.341 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -148.2 160.15 43.22 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.094 0.958 . . . . 64.43 109.472 -176.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m -59.64 -22.59 62.09 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.637 1.175 . . . . 33.22 112.694 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -68.88 -36.36 77.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.868 0.867 . . . . 75.15 110.41 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -80.83 -23.51 39.12 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 114.78 -1.1 . . . . 74.32 112.682 -169.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.505 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.5 pp -80.35 -47.27 14.73 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.39 0.138 . . . . 74.42 110.731 177.444 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -70.14 -25.6 63.54 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.937 0.495 . . . . 72.23 112.246 -171.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -71.72 -40.76 69.24 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 122.768 0.427 . . . . 74.24 111.138 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.41 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 2.4 pp20? -85.44 -28.23 25.2 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 115.996 -0.547 . . . . 71.21 110.197 -177.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.434 ' SD ' HD12 ' A' ' 45' ' ' LEU . 11.2 mmt -63.38 -32.03 73.34 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.065 0.946 . . . . 65.42 111.358 174.196 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -64.16 -50.11 69.46 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 115.884 -0.598 . . . . 73.05 109.666 169.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -60.01 -28.28 67.58 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.738 0.815 . . . . 74.01 112.371 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.615 ' HA ' ' HZ ' ' A' ' 51' ' ' PHE . 84.0 mt -62.17 -42.55 99.37 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.589 0.356 . . . . 72.4 110.558 174.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.428 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -76.53 -42.19 43.99 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.634 0.774 . . . . 64.23 111.732 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -71.77 -46.54 58.07 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.948 0.899 . . . . 71.42 112.117 -169.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.489 ' HB2' ' CE1' ' A' ' 51' ' ' PHE . 40.1 mm-40 -68.48 128.49 36.8 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 109.152 -0.684 . . . . 60.05 109.152 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -65.33 -54.38 29.75 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.366 1.066 . . . . 61.32 112.607 -167.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -143.5 119.5 10.68 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.082 0.553 . . . . 74.33 110.102 -175.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.615 ' HZ ' ' HA ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -166.37 171.16 12.29 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 124.234 1.014 . . . . 64.15 110.087 174.758 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.46 -168.11 1.87 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.04 0.936 . . . . 70.25 112.246 -173.117 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -97.07 134.05 40.93 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.497 1.119 . . . . 60.35 110.935 -170.386 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.6 mp -106.87 141.78 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 N-CA-C 109.064 -0.717 . . . . 75.52 109.064 -172.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 tt -90.83 118.91 30.62 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.828 -0.804 . . . . 64.41 108.828 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.514 ' HA ' ' HB3' ' A' ' 30' ' ' ARG . 22.3 mm -98.18 137.15 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 N-CA-C 108.881 -0.785 . . . . 64.25 108.881 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.409 HG12 ' HB ' ' A' ' 7' ' ' ILE . 54.0 mt -117.54 140.87 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 107.764 -1.199 . . . . 64.43 107.764 167.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.2 t -137.29 152.32 49.65 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.531 1.133 . . . . 71.21 109.163 174.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -95.38 -15.38 23.08 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.394 0.678 . . . . 74.53 110.906 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.466 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 17.6 t70 -129.76 143.78 50.98 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.355 0.662 . . . . 70.42 110.814 -170.617 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -77.73 -31.93 52.5 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.272 1.029 . . . . 73.41 113.0 -174.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.415 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 84.0 mm-40 -72.74 -21.94 60.94 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 110.453 -0.203 . . . . 70.43 110.453 177.384 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.59 HD13 HG12 ' A' ' 32' ' ' VAL . 71.9 mt -70.1 -44.42 69.07 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 122.976 0.51 . . . . 70.34 109.745 170.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 8' ' ' ASN . 71.5 mt -54.69 -51.26 66.09 Favored 'General case' 0 C--N 1.368 1.393 0 O-C-N 124.115 0.884 . . . . 64.11 109.445 176.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -52.53 -49.5 64.75 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 125.201 1.563 . . . . 72.12 111.482 -172.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 5.7 mm-40 -66.54 -41.32 88.91 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 123.703 0.627 . . . . 65.21 111.18 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 69.5 mtm -63.16 -45.88 89.77 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 118.842 -0.599 . . . . 72.02 111.872 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.517 HD11 HD22 ' A' ' 80' ' ' LEU . 67.2 mt -52.47 -37.13 56.41 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.914 0.885 . . . . 71.32 111.201 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -75.87 -38.64 57.72 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 114.761 -1.109 . . . . 75.35 111.078 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.468 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 90.2 mt -61.89 -52.04 65.71 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.507 0.723 . . . . 74.12 110.647 176.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.441 HG23 HD23 ' A' ' 4' ' ' LEU . 33.1 mt -55.14 -41.67 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 124.792 1.237 . . . . 75.23 110.711 177.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.4 t -65.05 -43.83 91.0 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 114.835 -1.075 . . . . 64.41 111.099 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -16.56 56.26 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.638 0.375 . . . . 50.45 111.596 -179.344 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 95.9 mt -74.76 -31.11 61.69 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.567 -0.531 . . . . 62.54 109.567 169.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.45 25.25 12.44 Favored Glycine 0 C--N 1.343 0.951 0 CA-C-N 115.565 -0.743 . . . . 72.45 111.752 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.431 ' HE2' ' HB3' ' A' ' 45' ' ' LEU . 23.0 m-30 -99.7 159.18 15.24 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.424 1.09 . . . . 52.05 110.868 178.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -73.76 122.55 22.58 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.856 0.723 . . . . 71.22 109.878 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.5 t -90.53 120.69 39.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 123.466 0.707 . . . . 73.53 109.819 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -130.35 131.74 45.5 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 107.404 -1.332 . . . . 74.12 107.404 171.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.567 HD11 HD13 ' A' ' 64' ' ' LEU . 41.2 tp -122.94 143.12 50.11 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.051 -1.092 . . . . 70.11 108.051 178.17 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.7 tp -145.48 113.93 6.7 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 106.793 -1.558 . . . . 73.34 106.793 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.74 137.93 53.84 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.97 0.891 . . . . 71.44 111.2 -176.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.472 ' HG2' ' HA ' ' A' ' 110' ' ' ASP . 0.5 OUTLIER -142.09 129.67 21.43 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 126.079 1.751 . . . . 62.15 107.397 -179.478 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.562 ' H ' HD11 ' A' ' 90' ' ' LEU . 8.0 m-20 -156.49 159.3 38.49 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.778 -1.193 . . . . 64.35 107.778 177.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -76.29 -22.71 54.73 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.471 -0.786 . . . . 72.22 109.683 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -90.86 92.48 8.8 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 123.661 0.784 . . . . 61.52 108.89 169.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -75.96 -24.26 55.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.987 0.515 . . . . 75.45 111.418 -177.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -62.2 -37.18 84.32 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.599 0.359 . . . . 73.4 111.188 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.57 -27.02 55.7 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.783 0.433 . . . . 75.44 111.212 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.562 HD11 ' H ' ' A' ' 84' ' ' ASP . 94.9 mt -67.36 -51.9 46.61 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.075 0.55 . . . . 74.4 110.813 176.386 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.88 -39.8 79.57 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.863 0.865 . . . . 64.01 111.802 -170.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 14.1 pt-20 -71.8 -36.08 70.17 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 122.787 0.435 . . . . 72.22 110.958 -176.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -74.81 -41.35 60.12 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.319 0.648 . . . . 75.42 110.215 176.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.456 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 25.8 ttpt -55.45 -51.16 67.84 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.827 0.851 . . . . 74.43 111.721 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -61.34 -26.46 67.83 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 124.164 0.915 . . . . 70.1 111.937 -175.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.488 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 33.3 mmtp -70.65 -40.99 72.73 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.069 0.548 . . . . 73.2 110.061 175.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 26.0 mm -69.03 -36.57 74.45 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 123.614 0.766 . . . . 65.32 110.122 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.24 -38.64 87.38 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.61 0.764 . . . . 62.4 110.832 171.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.0 t -68.35 -34.82 76.78 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.569 0.747 . . . . 75.11 110.318 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 82.7 mm-40 -72.18 -14.21 61.75 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.342 0.657 . . . . 73.22 110.831 175.451 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.53 7.05 72.67 Favored Glycine 0 C--N 1.35 1.318 0 C-N-CA 123.156 0.407 . . . . 53.42 113.14 175.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -85.96 149.52 25.13 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 123.06 0.544 . . . . 65.44 110.237 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -74.65 121.72 22.09 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-N 115.623 -0.717 . . . . 74.32 109.829 178.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.0 p -138.37 133.74 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 C-N-CA 123.905 0.882 . . . . 75.22 110.306 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -120.07 120.06 35.15 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.119 0.968 . . . . 75.02 109.622 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.456 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -105.58 135.44 46.98 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.862 -0.792 . . . . 75.5 108.862 178.474 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.478 ' HB ' ' HB2' ' A' ' 112' ' ' GLU . 27.4 m -133.0 148.26 31.43 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 C-N-CA 123.819 0.848 . . . . 73.1 109.68 178.193 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 m -81.02 -42.9 20.38 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.388 0.613 . . . . 61.04 109.745 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.471 ' HB3' ' HG3' ' A' ' 112' ' ' GLU . 4.3 t70 -101.09 151.33 21.94 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 114.953 -1.021 . . . . 55.3 111.241 -173.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.498 ' HB3' HD13 ' A' ' 14' ' ' LEU . 3.2 m-20 -64.54 -32.87 74.7 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 113.303 -1.771 . . . . 71.25 111.756 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.407 ' HA ' HD12 ' A' ' 114' ' ' LEU . 13.2 pt-20 -71.48 -32.5 68.33 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.578 0.751 . . . . 54.52 111.58 -178.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.478 ' HB2' ' HB ' ' A' ' 107' ' ' VAL . 37.8 mt-10 -70.03 -31.13 68.62 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.029 0.532 . . . . 72.1 110.32 -178.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.05 -44.08 97.46 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.761 -0.654 . . . . 63.24 110.47 172.195 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 111' ' ' GLU . 70.6 mt -65.27 -32.42 74.08 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.045 0.938 . . . . 43.44 110.667 -178.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -66.12 -48.19 71.69 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.753 -1.112 . . . . 72.11 110.488 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 60.3 mt -71.94 -27.15 26.69 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 C-N-CA 123.874 0.869 . . . . 72.22 111.613 -175.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 113' ' ' ALA . 67.7 t -56.62 -44.2 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 122.977 0.511 . . . . 61.44 110.494 173.358 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -71.39 -44.08 65.63 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.33 0.652 . . . . 61.0 110.914 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -59.94 -37.72 80.35 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.539 0.736 . . . . 73.32 112.22 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -50.67 -48.8 58.35 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.006 0.923 . . . . 65.12 111.554 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.7 mtt -64.16 -24.83 67.83 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 114.88 -1.055 . . . . 65.2 113.047 -170.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 . . . . . 0 N--CA 1.483 1.198 0 C-N-CA 123.602 0.761 . . . . 55.32 111.736 177.982 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tpt . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 120.568 0.223 . . . . 73.51 110.412 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.503 ' HD3' HD13 ' A' ' 54' ' ' ILE . 23.2 ttmm -140.53 136.81 33.26 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 123.913 0.885 . . . . 71.45 108.69 179.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.725 ' HG3' ' HB1' ' A' ' 124' ' ' ALA . 0.6 OUTLIER -110.08 145.27 37.39 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.627 0.771 . . . . 74.52 109.074 -176.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.412 HD11 HD13 ' A' ' 45' ' ' LEU . 4.4 mm? -126.84 115.02 18.69 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.595 1.158 . . . . 75.53 109.11 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.0 tt -110.36 123.29 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 109.136 -0.69 . . . . 73.11 109.136 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.493 ' HB3' HD22 ' A' ' 64' ' ' LEU . 5.9 mp -103.36 120.18 40.3 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.132 0.973 . . . . 75.53 108.436 -178.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.485 HG21 HD13 ' A' ' 18' ' ' ILE . 2.0 mp -100.56 135.02 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 108.319 -0.993 . . . . 62.14 108.319 175.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -116.05 108.98 16.89 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 107.959 -1.126 . . . . 74.33 107.959 173.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 t -147.66 137.29 22.64 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 122.779 0.432 . . . . 62.11 109.912 171.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -92.36 -7.3 48.18 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.334 0.654 . . . . 55.34 110.891 172.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -80.21 97.2 6.83 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 109.23 -0.656 . . . . 44.34 109.23 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -44.51 -48.57 10.16 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.578 1.551 . . . . 63.04 112.96 178.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.25 -36.04 82.91 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.001 -0.999 . . . . 75.41 111.013 -175.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.589 HD13 ' HB2' ' A' ' 110' ' ' ASP . 49.5 tp -68.0 -42.15 81.15 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 119.311 -0.376 . . . . 73.32 110.338 176.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.577 HG23 HG21 ' A' ' 57' ' ' ILE . 73.3 mt -51.56 -45.37 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 123.375 0.67 . . . . 64.55 110.601 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -67.99 -38.19 82.37 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.679 -0.691 . . . . 73.22 112.071 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HE2' HD11 ' A' ' 114' ' ' LEU . 57.3 mtpt -63.42 -38.01 89.49 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 122.946 0.498 . . . . 74.44 110.925 177.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.58 ' O ' HG23 ' A' ' 22' ' ' VAL . 87.2 mt -63.83 -49.79 80.41 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 108.452 -0.944 . . . . 70.22 108.452 177.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.555 ' HE3' HG22 ' A' ' 15' ' ' ILE . 95.5 mttt -52.76 -42.69 65.21 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 124.053 0.845 . . . . 72.51 111.346 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -57.61 -51.13 70.74 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 123.916 0.76 . . . . 62.35 110.445 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 33.3 mm-40 -56.92 -43.61 81.6 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 124.007 0.817 . . . . 74.11 111.776 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.586 HG13 ' HB2' ' A' ' 27' ' ' TYR . 58.8 t -69.51 -33.35 56.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.999 0.919 . . . . 72.0 110.622 -175.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 15.3 mm-40 -73.01 -30.15 63.55 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.204 0.602 . . . . 74.11 110.892 174.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -69.01 -35.25 76.45 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.264 0.626 . . . . 74.14 110.197 176.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 61.5 mm-40 -85.67 -26.59 25.87 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.815 -0.63 . . . . 60.0 110.948 -178.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.44 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . 98.2 8.69 54.89 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 115.818 -0.628 . . . . 65.35 113.683 178.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.586 ' HB2' HG13 ' A' ' 22' ' ' VAL . 2.0 m-85 -76.57 162.47 27.74 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 117.374 0.587 . . . . 62.43 110.384 178.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.604 ' HB2' HG13 ' A' ' 54' ' ' ILE . 19.7 mm-40 -94.54 112.82 24.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.106 0.562 . . . . 72.34 109.984 -173.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.509 HG11 ' HG2' ' A' ' 19' ' ' LYS . 34.8 t -79.72 124.36 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 C-N-CA 122.847 0.459 . . . . 70.43 109.878 176.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -131.68 128.57 39.27 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.611 -0.885 . . . . 75.2 108.611 167.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -92.93 135.95 33.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.198 0.999 . . . . 73.14 109.857 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.525 HG11 ' HB3' ' A' ' 38' ' ' LEU . 92.1 t -126.79 119.23 52.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 N-CA-C 107.762 -1.199 . . . . 61.45 107.762 171.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -135.68 15.81 3.37 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.047 0.939 . . . . 60.11 109.185 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.405 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 20.4 t70 -152.37 146.01 25.01 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 124.27 1.028 . . . . 74.42 108.837 -173.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.7 p -71.88 -26.2 62.25 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.822 0.849 . . . . 61.2 112.532 -172.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 30.1 t70 -83.26 -31.11 27.12 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.881 0.473 . . . . 73.52 110.444 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.474 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 41.0 mm-40 -63.19 -38.35 90.81 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.555 0.576 . . . . 64.41 112.555 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.525 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.5 pp -65.83 -39.67 91.03 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 111.772 0.286 . . . . 75.25 111.772 -175.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 16.7 ptpt -75.25 -24.34 57.62 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.75 0.42 . . . . 72.22 110.72 -176.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' ' 37' ' ' GLU . 57.9 mtpt -65.77 -52.83 47.68 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 108.53 -0.915 . . . . 73.44 108.53 168.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.544 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 41.0 mm-40 -57.9 -44.0 86.47 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 115.58 -0.736 . . . . 74.12 112.129 -176.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.449 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 33.9 mmt -55.14 -35.41 64.68 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.091 0.556 . . . . 73.45 111.841 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -75.73 -42.19 51.35 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.787 -0.642 . . . . 73.41 110.278 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.438 ' N ' ' HE2' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -57.82 -41.14 81.6 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.248 0.619 . . . . 73.43 110.382 178.778 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 64.1 mt -65.29 -40.06 93.37 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.332 1.053 . . . . 73.2 111.06 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.46 -39.92 70.66 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.589 -0.732 . . . . 73.45 111.239 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -72.82 -35.66 67.35 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.605 0.762 . . . . 73.42 111.366 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -105.45 111.63 24.41 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.265 0.626 . . . . 73.04 109.788 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -97.16 -66.7 0.89 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.243 0.617 . . . . 64.51 110.227 -173.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -81.97 83.35 7.28 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 115.194 -0.912 . . . . 65.34 110.868 -171.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.467 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 2.2 p90 -167.32 -178.56 4.1 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 125.064 1.346 . . . . 75.33 107.608 166.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 27' ' ' TYR . 10.3 tp10 -54.5 151.35 7.93 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.471 1.108 . . . . 75.12 112.816 -175.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.444 ' HD2' ' HG2' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -75.34 147.26 40.25 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.327 0.651 . . . . 44.52 110.609 174.594 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.604 HG13 ' HB2' ' A' ' 28' ' ' GLN . 2.0 mp -102.32 144.2 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 115.501 -0.772 . . . . 55.02 110.941 -165.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.581 HD22 HG21 ' A' ' 22' ' ' VAL . 6.1 tt -113.83 116.46 29.36 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.842 1.257 . . . . 65.2 108.028 173.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 30.5 mm -98.15 129.67 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.213 -1.032 . . . . 45.21 108.213 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.577 HG21 HG23 ' A' ' 15' ' ' ILE . 56.3 mt -109.45 139.3 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 108.591 -0.892 . . . . 63.42 108.591 170.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.541 ' HB3' HD21 ' A' ' 64' ' ' LEU . 32.4 t -149.5 163.59 37.38 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.957 0.903 . . . . 72.11 109.652 174.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -113.7 -13.89 12.64 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.201 1.0 . . . . 73.15 110.711 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -113.62 132.78 55.62 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.955 0.902 . . . . 71.33 110.017 -172.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -75.12 -33.28 61.57 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.386 1.074 . . . . 62.02 112.448 -174.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -64.51 -33.7 76.5 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.696 0.622 . . . . 74.55 109.929 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.484 HD13 HG12 ' A' ' 32' ' ' VAL . 35.5 mt -66.01 -56.45 11.54 Favored 'General case' 0 C--N 1.356 0.855 0 O-C-N 124.228 0.955 . . . . 42.04 109.499 176.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 58' ' ' SER . 73.7 mt -53.88 -44.29 70.33 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 114.631 -1.168 . . . . 73.41 111.506 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -62.75 -35.45 79.83 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 124.702 1.251 . . . . 74.14 110.789 -175.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.78 -54.99 34.88 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 123.522 0.514 . . . . 74.31 110.325 169.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.506 ' SD ' ' HB2' ' A' ' 38' ' ' LEU . 3.3 mpp? -63.27 -33.06 74.68 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.944 0.72 . . . . 50.3 112.944 -173.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 86.1 mt -55.81 -38.02 69.42 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 122.979 0.512 . . . . 64.12 110.913 175.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -82.81 -39.4 21.79 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.044 0.938 . . . . 74.42 111.777 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.4 HD13 ' HG3' ' A' ' 42' ' ' MET . 96.7 mt -67.12 -51.07 58.66 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.633 0.773 . . . . 75.21 110.979 -175.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.09 -31.41 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 124.743 1.217 . . . . 64.34 110.922 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.2 t -68.29 -29.26 67.99 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.494 0.717 . . . . 52.11 111.124 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -77.95 -40.43 39.45 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.857 0.863 . . . . 74.2 110.642 172.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.6 -26.27 68.61 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-N 115.048 -0.978 . . . . 74.01 110.938 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.58 53.01 2.85 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.62 0.575 . . . . 72.24 112.751 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -127.24 168.56 14.56 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.623 0.769 . . . . 70.51 109.824 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -73.29 115.88 13.17 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 108.495 -0.928 . . . . 73.11 108.495 172.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 44.3 t -89.85 137.76 20.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 N-CA-C 108.17 -1.048 . . . . 71.24 108.17 174.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -143.6 141.43 30.63 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 107.187 -1.412 . . . . 74.34 107.187 173.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.432 HD22 HD11 ' A' ' 68' ' ' LEU . 42.2 tp -129.35 139.52 51.69 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 108.565 -0.902 . . . . 63.31 108.565 177.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.0 tp -142.24 126.64 17.72 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 106.142 -1.799 . . . . 61.15 106.142 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 pp -137.26 145.08 43.11 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.234 0.54 . . . . 50.53 111.19 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -156.17 142.1 18.05 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 107.395 -1.335 . . . . 73.22 107.395 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.465 ' H ' HD11 ' A' ' 90' ' ' LEU . 34.1 t70 -165.05 167.28 18.5 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 109.459 -0.571 . . . . 70.22 109.459 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -66.02 -29.48 69.85 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.0 1.32 . . . . 74.1 110.667 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -95.42 99.02 10.99 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.12 0.968 . . . . 70.55 110.302 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -63.68 -36.7 84.72 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.475 0.71 . . . . 73.23 111.14 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -59.79 -39.12 83.89 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.007 0.923 . . . . 71.02 110.573 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -72.93 -30.45 63.89 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.733 -0.667 . . . . 71.23 111.934 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.465 HD11 ' H ' ' A' ' 84' ' ' ASP . 96.5 mt -68.32 -52.02 38.15 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.138 0.575 . . . . 65.23 111.081 178.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.31 -36.79 82.23 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.729 0.812 . . . . 65.31 112.56 -174.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -71.35 -34.36 70.42 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.308 0.243 . . . . 71.3 111.462 -177.617 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.438 ' O ' HG12 ' A' ' 97' ' ' ILE . 34.7 t80 -71.57 -48.33 49.14 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.84 0.456 . . . . 63.44 110.151 173.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.53 ' HD2' ' HB2' ' A' ' 106' ' ' LYS . 55.3 tttm -58.84 -46.08 88.56 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.903 0.881 . . . . 73.13 112.44 -174.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -59.61 -31.19 69.25 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 122.848 0.459 . . . . 70.44 112.026 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 2.2 mmmp? -72.15 -40.11 68.26 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.47 0.708 . . . . 65.1 109.982 177.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.453 HG22 ' HB2' ' A' ' 102' ' ' TYR . 31.1 mm -69.65 -33.73 57.98 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.152 0 C-N-CA 123.718 0.807 . . . . 73.32 110.709 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.94 -32.85 73.58 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.539 0.736 . . . . 71.14 111.059 171.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.3 t -72.42 -23.61 61.11 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.348 0.659 . . . . 74.43 110.739 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 78.3 mt-30 -80.31 -20.5 44.16 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.533 0.733 . . . . 63.4 110.319 170.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.59 38.6 8.1 Favored Glycine 0 C--N 1.357 1.699 0 C-N-CA 123.542 0.591 . . . . 64.34 113.113 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.453 ' HB2' HG22 ' A' ' 97' ' ' ILE . 69.5 m-85 -110.86 145.8 37.61 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.137 0.575 . . . . 74.23 110.92 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -68.58 101.77 1.34 Allowed 'General case' 0 CA--C 1.545 0.762 0 O-C-N 124.164 0.915 . . . . 72.44 109.409 171.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.4 p -124.03 131.2 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 124.609 1.164 . . . . 53.3 109.741 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -109.12 148.86 30.19 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.461 0.704 . . . . 75.14 109.313 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.53 ' HB2' ' HD2' ' A' ' 94' ' ' LYS . 28.2 ttpp -133.25 129.69 37.99 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.406 0.683 . . . . 64.4 109.659 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 32.8 m -140.96 162.37 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 123.25 0.62 . . . . 72.12 109.98 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.3 m -103.45 -52.63 2.96 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.762 0.825 . . . . 64.0 109.154 -176.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.458 ' HB3' ' HG2' ' A' ' 111' ' ' GLU . 1.9 m-20 -77.85 144.66 36.81 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 124.152 0.981 . . . . 72.14 110.245 177.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.589 ' HB2' HD13 ' A' ' 14' ' ' LEU . 1.3 p-10 -65.58 -30.14 70.83 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.196 -0.911 . . . . 42.45 110.928 177.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.458 ' HG2' ' HB3' ' A' ' 109' ' ' ASP . 15.2 pt-20 -62.54 -38.1 88.7 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.555 0.742 . . . . 73.42 111.471 -178.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.16 -38.55 85.67 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.814 0.846 . . . . 74.12 110.275 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.449 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -61.63 -42.69 99.25 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 115.289 -0.869 . . . . 72.42 110.414 175.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.417 HD11 ' HE2' ' A' ' 17' ' ' LYS . 98.0 mt -66.2 -33.79 76.56 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.692 0.797 . . . . 72.22 111.253 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -62.08 -49.72 74.83 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 123.59 0.557 . . . . 71.55 109.707 174.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 74.6 mt -70.3 -30.04 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 O-C-N 123.999 0.812 . . . . 60.53 111.452 -175.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 113' ' ' ALA . 55.2 t -59.28 -47.3 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 N-CA-C 109.372 -0.603 . . . . 74.1 109.372 170.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -70.15 -38.44 75.47 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.945 0.498 . . . . 75.33 111.433 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -59.55 -40.57 87.7 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.627 0.771 . . . . 74.43 111.718 176.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -60.12 -36.52 77.65 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 123.963 0.789 . . . . 62.13 110.659 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.505 ' HG3' ' HG3' ' A' ' 25' ' ' GLN . 22.9 mmt -57.15 -29.37 63.55 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.736 0.643 . . . . 64.33 112.736 -175.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -100.78 -36.11 9.21 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.893 0.477 . . . . 62.51 111.271 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -69.64 -20.86 63.59 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.908 0.883 . . . . 75.44 112.348 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.725 ' HB1' ' HG3' ' A' ' 3' ' ' GLU . . . -73.06 -29.37 62.91 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.389 0.676 . . . . 71.33 110.213 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -80.95 57.59 4.82 Favored Glycine 0 C--N 1.353 1.519 0 O-C-N 123.874 0.733 . . . . 75.21 111.856 174.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.5 m -84.28 157.84 21.42 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 124.003 0.921 . . . . 75.04 110.26 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.38 86.7 1.14 Allowed 'General case' 0 C--O 1.241 0.644 0 N-CA-C 106.896 -1.52 . . . . 72.11 106.896 172.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -71.77 91.09 1.12 Allowed 'General case' 0 C--O 1.239 0.527 0 C-N-CA 123.55 0.74 . . . . 72.01 109.509 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -69.1 94.81 0.69 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 107.162 -1.422 . . . . 75.04 107.162 172.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -58.55 -39.04 79.11 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.091 1.356 . . . . 73.33 111.86 -166.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -75.04 70.69 2.06 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 107.506 -1.294 . . . . 71.55 107.506 169.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -73.33 -19.63 60.98 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 115.029 -0.987 . . . . 74.22 113.37 -155.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -91.63 67.86 5.53 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 109.029 -0.73 . . . . 73.34 109.029 173.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 . . . . . 0 CA--C 1.561 1.383 0 C-N-CA 125.43 1.492 . . . . 54.12 111.526 178.681 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.4 mmm . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 111.521 0.193 . . . . 71.35 111.521 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -120.17 120.43 36.14 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 108.367 -0.975 . . . . 73.43 108.367 161.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -96.02 108.9 21.36 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.491 -0.929 . . . . 71.24 108.491 171.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -93.93 109.39 21.11 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 107.01 -1.478 . . . . 64.41 107.01 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.0 tt -101.36 119.05 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 108.997 -0.742 . . . . 62.32 108.997 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mp -104.41 122.48 45.58 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.846 -1.168 . . . . 72.12 107.846 175.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.484 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 3.0 mp -97.71 136.05 29.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 N-CA-C 107.319 -1.363 . . . . 73.23 107.319 173.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.542 ' HB2' HD11 ' A' ' 64' ' ' LEU . 4.3 t-20 -115.37 124.61 51.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.824 -1.547 . . . . 74.32 106.824 169.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.446 ' HA ' ' HG3' ' A' ' 83' ' ' GLN . 1.4 t -145.69 139.76 26.78 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.029 0.443 . . . . 53.44 110.331 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -86.29 -19.26 30.14 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.329 -0.85 . . . . 63.31 109.582 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -90.37 112.01 23.45 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.226 0.611 . . . . 74.14 109.901 -176.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -58.19 -46.08 86.44 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.75 1.22 . . . . 73.31 112.355 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.31 -32.92 70.88 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.011 -0.995 . . . . 74.01 110.4 -176.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.431 ' O ' HG13 ' A' ' 18' ' ' ILE . 52.6 tp -65.26 -37.95 88.81 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 118.977 -0.535 . . . . 74.25 110.148 177.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.52 HG23 HG21 ' A' ' 57' ' ' ILE . 54.9 mt -50.77 -50.11 24.14 Favored 'Isoleucine or valine' 0 C--N 1.367 1.351 0 O-C-N 123.858 0.724 . . . . 75.2 109.821 173.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 62.5 mttp -67.61 -36.0 80.01 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.617 -1.174 . . . . 62.21 111.925 -175.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HE2' HD11 ' A' ' 114' ' ' LEU . 61.0 mtpt -66.57 -40.21 88.87 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.953 0.501 . . . . 74.43 110.386 176.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 22' ' ' VAL . 95.2 mt -62.12 -43.95 98.42 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 CA-C-N 115.357 -0.838 . . . . 75.01 109.255 175.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.476 ' HE3' HG22 ' A' ' 15' ' ' ILE . 94.9 mttt -54.0 -50.78 65.84 Favored 'General case' 0 C--N 1.358 0.97 0 O-C-N 123.942 0.776 . . . . 72.42 110.164 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 14.5 mmmm -63.19 -39.58 95.04 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 124.078 0.861 . . . . 74.2 111.666 -175.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 26.7 mm-40 -51.92 -53.42 41.26 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 121.578 0.704 . . . . 65.42 110.171 173.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 18' ' ' ILE . 28.1 t -76.78 -22.42 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-N 113.976 -1.466 . . . . 73.51 111.897 -170.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 64.2 mm-40 -62.04 -46.3 89.77 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.388 0.675 . . . . 73.32 109.53 171.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -73.96 -20.48 60.34 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.719 -0.673 . . . . 71.3 111.24 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 6.6 mm-40 -81.02 -16.78 52.42 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 110.394 -0.224 . . . . 72.34 110.394 173.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.8 27.95 57.78 Favored Glycine 0 C--N 1.346 1.114 0 O-C-N 123.265 0.353 . . . . 74.34 113.689 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.474 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 2.6 m-85 -96.12 166.07 11.93 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.359 0.664 . . . . 72.43 109.841 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.478 ' HB2' HG23 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -87.42 115.06 24.58 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.097 -1.075 . . . . 62.45 108.097 -179.576 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.416 HG11 ' HG2' ' A' ' 19' ' ' LYS . 17.7 t -104.58 114.2 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 122.842 0.457 . . . . 54.23 110.555 -176.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -125.91 135.68 52.18 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 108.535 -0.913 . . . . 74.51 108.535 170.202 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -114.1 116.17 28.71 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 108.366 -0.976 . . . . 73.2 108.366 172.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.646 HG12 HD13 ' A' ' 63' ' ' LEU . 79.6 t -86.76 122.21 38.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 114.901 -1.045 . . . . 63.15 109.303 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -114.24 2.79 14.92 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.552 0.741 . . . . 73.41 110.953 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -160.86 152.06 18.96 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.718 0.807 . . . . 71.52 110.056 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.7 m -62.77 -21.88 66.18 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.906 0.882 . . . . 75.43 113.19 -175.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -73.24 -26.97 61.33 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.098 0.559 . . . . 63.32 110.215 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.55 ' HB2' HG13 ' A' ' 32' ' ' VAL . 7.9 mm-40 -75.17 -47.8 26.66 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.61 0.764 . . . . 71.42 111.296 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.572 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.6 pp -64.54 -40.35 95.44 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.344 0.257 . . . . 71.54 111.546 -174.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -63.39 -30.23 71.39 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 123.35 0.406 . . . . 73.5 111.716 -174.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -55.93 -57.79 10.63 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 123.939 0.774 . . . . 63.03 110.131 176.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.1 pt-20 -82.56 -27.09 31.83 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 114.122 -1.399 . . . . 52.43 112.651 -169.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.8 mmt -60.64 -38.98 86.6 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 121.083 0.468 . . . . 55.31 109.757 174.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -64.99 -45.94 83.51 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.228 -0.896 . . . . 74.12 110.449 172.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -62.44 -25.74 68.13 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 112.77 0.656 . . . . 74.5 112.77 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 84.5 mt -69.89 -34.96 74.23 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 118.099 0.409 . . . . 75.5 110.587 175.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.1 -24.81 65.97 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.634 0.774 . . . . 61.2 111.886 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -99.2 -55.5 2.67 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.441 0.696 . . . . 73.43 110.925 -176.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -78.42 108.02 11.47 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.427 0.691 . . . . 71.05 109.585 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -106.32 -33.27 7.82 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.439 0.696 . . . . 73.14 111.367 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -88.92 75.27 8.08 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 121.385 0.612 . . . . 72.12 110.651 -177.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.429 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -174.41 159.41 3.04 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.349 1.46 . . . . 72.12 107.933 169.418 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.48 171.38 13.87 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.466 0.65 . . . . 64.41 111.477 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.521 ' H ' ' HD3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -63.1 154.55 30.63 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 114.541 -1.208 . . . . 70.42 113.072 -179.559 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.478 HG23 ' HB2' ' A' ' 28' ' ' GLN . 3.3 mp -110.12 146.49 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-N 113.899 -1.501 . . . . 74.02 109.841 -171.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tt -106.11 120.51 41.98 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.674 0.79 . . . . 62.24 110.181 173.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 37.9 mm -112.67 146.53 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.334 1.053 . . . . 41.03 110.123 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.52 HG21 HG23 ' A' ' 15' ' ' ILE . 48.3 mt -125.78 157.83 35.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 N-CA-C 107.977 -1.12 . . . . 63.34 107.977 172.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.6 t -153.84 156.04 36.88 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.138 0.975 . . . . 71.24 109.304 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -108.0 6.05 26.75 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.635 0.774 . . . . 73.23 110.468 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -138.65 146.32 41.52 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.999 0.52 . . . . 61.2 111.692 -175.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -75.13 -39.31 60.61 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.832 1.253 . . . . 75.41 111.504 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -65.97 -33.88 76.83 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.393 0.677 . . . . 72.14 110.56 -173.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.646 HD13 HG12 ' A' ' 32' ' ' VAL . 80.9 mt -65.01 -45.3 86.09 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.525 0.73 . . . . 75.13 110.075 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 8' ' ' ASN . 56.6 mt -56.1 -50.68 70.37 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 114.928 -1.033 . . . . 63.51 109.626 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -54.36 -45.82 72.85 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 124.665 1.228 . . . . 65.43 111.313 -175.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -56.14 -56.56 19.37 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.93 0.769 . . . . 75.1 111.072 174.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 25.4 mtt -59.21 -48.07 82.97 Favored 'General case' 0 C--O 1.211 -0.959 0 O-C-N 124.19 0.932 . . . . 63.23 111.405 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.545 HD11 HD22 ' A' ' 80' ' ' LEU . 76.1 mt -54.94 -43.8 73.72 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.843 0.857 . . . . 70.52 111.558 -176.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.81 -35.52 74.88 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.782 0.833 . . . . 75.45 111.051 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 95.3 mt -70.17 -49.05 54.4 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.025 0.53 . . . . 74.33 111.279 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 76.7 mt -62.38 -29.31 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 124.571 1.149 . . . . 72.53 110.401 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.9 t -66.44 -44.04 83.97 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 115.362 -0.835 . . . . 64.12 110.89 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 14.0 ptmm? -79.19 -20.69 47.75 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 122.36 0.264 . . . . 73.13 110.815 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 86.2 mt -72.57 -33.95 67.12 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 109.202 -0.666 . . . . 64.31 109.202 169.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.23 70.89 1.31 Allowed Glycine 0 C--N 1.346 1.088 0 CA-C-N 115.395 -0.821 . . . . 61.22 111.88 177.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -133.69 171.29 14.33 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.702 0.801 . . . . 74.42 110.181 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.415 ' HA ' ' HE3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -76.41 109.7 10.33 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 109.013 -0.736 . . . . 74.22 109.013 172.839 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.4 t -92.91 111.14 24.09 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 123.453 0.701 . . . . 75.04 109.979 -176.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -112.55 144.17 42.47 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.499 1.119 . . . . 73.45 108.676 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.545 HD22 HD11 ' A' ' 68' ' ' LEU . 66.2 tp -143.23 108.51 5.01 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.388 0.675 . . . . 73.41 109.738 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.484 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 48.5 tp -102.15 114.45 28.6 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 108.662 -0.866 . . . . 64.45 108.662 173.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 pp -118.39 145.52 45.11 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.832 -0.542 . . . . 72.3 111.47 -175.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.446 ' HG3' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -146.64 145.3 30.0 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 124.039 0.935 . . . . 74.42 109.452 -178.849 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -161.11 169.23 22.78 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 114.8 -1.091 . . . . 64.33 108.232 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -85.69 1.28 50.05 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.357 0.663 . . . . 74.13 111.594 -178.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -125.71 149.25 48.66 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.194 0.998 . . . . 65.14 109.609 175.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -80.88 -48.53 12.23 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.888 0.875 . . . . 72.22 111.157 -176.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -61.82 -41.83 98.26 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 115.198 -0.91 . . . . 73.31 111.875 -171.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.14 -28.98 70.02 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.901 0.88 . . . . 52.44 111.565 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 90.6 mt -81.18 -53.68 6.17 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.475 0.71 . . . . 64.53 111.756 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -70.76 -25.53 62.94 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 123.536 0.523 . . . . 74.32 111.829 -170.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.24 -43.25 70.96 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 123.433 0.458 . . . . 71.54 110.351 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.532 ' O ' HG12 ' A' ' 97' ' ' ILE . 41.4 t80 -71.24 -45.82 62.39 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 108.971 -0.752 . . . . 72.03 108.971 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -51.31 -54.1 29.39 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.661 1.184 . . . . 71.3 112.287 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -61.42 -34.78 75.96 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 123.388 0.43 . . . . 73.43 111.279 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 12.4 mmmm -63.19 -43.81 97.14 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.112 0.565 . . . . 74.04 110.741 175.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 93' ' ' PHE . 36.1 mm -72.7 -33.34 44.08 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.203 0 C-N-CA 123.396 0.679 . . . . 75.44 111.267 -177.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -65.26 -34.24 77.88 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.438 0.695 . . . . 71.1 110.651 169.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.3 t -72.36 -26.91 62.09 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.489 0.716 . . . . 64.41 110.776 175.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 25.0 mm-40 -76.1 -23.41 54.93 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 109.638 -0.505 . . . . 73.2 109.638 171.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 104.71 2.41 43.15 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-O 119.658 -0.523 . . . . 61.42 113.766 173.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.439 ' HB2' HG22 ' A' ' 97' ' ' ILE . 19.2 m-85 -82.32 151.82 26.55 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.042 0.537 . . . . 63.31 111.483 -174.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -77.08 92.08 3.72 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.208 1.003 . . . . 75.41 109.634 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.9 p -113.95 130.13 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 121.479 0.656 . . . . 61.43 110.965 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -119.28 148.29 43.31 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.322 1.049 . . . . 51.3 109.596 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -118.29 152.65 35.35 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.189 0.518 . . . . 74.01 110.676 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.5 m -145.97 133.78 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 125.135 1.374 . . . . 75.32 107.464 173.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.4 m -103.61 12.94 34.3 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 121.532 0.682 . . . . 75.12 110.122 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -131.57 150.81 52.02 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.388 1.075 . . . . 74.44 110.202 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -69.01 -48.25 63.46 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.878 1.271 . . . . 75.11 112.493 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.94 -34.74 78.8 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.248 0.619 . . . . 73.11 111.375 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -68.2 -30.62 69.75 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.451 -0.795 . . . . 72.12 110.573 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -65.2 -51.1 63.14 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 123.279 0.631 . . . . 73.32 110.647 176.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.421 HD11 ' HE2' ' A' ' 17' ' ' LYS . 95.8 mt -59.05 -37.68 77.59 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.402 0.681 . . . . 64.54 110.558 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -66.6 -50.26 63.62 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 114.148 -1.387 . . . . 74.04 111.224 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 27.1 mt -71.23 -27.69 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 122.481 0.312 . . . . 75.01 111.159 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 113' ' ' ALA . 38.7 t -58.79 -50.74 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 122.963 0.505 . . . . 53.04 110.75 173.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.7 ptm85 -78.54 -22.78 46.74 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 116.576 -0.284 . . . . 62.43 111.587 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.56 ' HB3' ' HE2' ' A' ' 123' ' ' LYS . 39.5 mt-10 -65.74 -39.35 91.01 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.957 0.503 . . . . 75.44 111.138 168.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' A' ' 117' ' ' VAL . 0.5 OUTLIER -49.52 -38.69 31.52 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.429 1.091 . . . . 75.42 111.3 -177.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 18.8 mmt -52.91 -33.38 50.14 Favored 'General case' 0 CA--C 1.551 0.995 0 O-C-N 124.571 1.17 . . . . 74.25 111.7 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -104.7 -24.83 12.89 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.664 0.786 . . . . 72.42 111.848 172.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.56 ' HE2' ' HB3' ' A' ' 119' ' ' GLU . 21.2 ttmm -84.89 -24.16 28.61 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 114.033 1.123 . . . . 74.41 114.033 -164.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -90.98 -32.49 15.93 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 121.138 -0.976 . . . . 64.14 112.947 -171.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -63.03 -76.72 0.25 Allowed Glycine 0 C--N 1.349 1.263 0 O-C-N 123.847 0.717 . . . . 25.45 114.42 -170.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.8 t -153.4 108.2 3.15 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 117.076 0.438 . . . . 72.21 110.741 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.421 HD21 ' O ' ' A' ' 123' ' ' LYS . 2.4 pt? -173.89 174.07 3.12 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.823 1.649 . . . . 54.41 108.192 170.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.5 87.07 1.58 Allowed 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 121.451 0.643 . . . . 73.34 110.163 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -144.84 115.88 7.88 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 107.303 -1.369 . . . . 75.51 107.303 172.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -169.94 129.99 0.97 Allowed 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.756 -0.831 . . . . 74.03 108.756 -178.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -135.33 96.63 3.52 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.76 0.824 . . . . 72.53 109.013 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -90.47 65.24 6.07 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 108.059 -1.089 . . . . 63.35 108.059 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -73.91 140.27 45.52 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 115.193 -0.912 . . . . 73.14 109.581 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 . . . . . 0 C--O 1.25 1.093 0 O-C-N 124.481 1.113 . . . . 74.14 111.123 178.51 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptm . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 110.379 -0.23 . . . . 64.52 110.379 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -132.34 124.35 28.6 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.653 0.781 . . . . 72.24 109.998 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 4.8 mm-40 -96.57 117.8 31.71 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 107.622 -1.251 . . . . 73.21 107.622 176.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -108.51 113.32 26.25 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 122.091 -0.381 . . . . 72.4 110.042 -173.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.0 tt -104.88 121.11 56.4 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.003 0 C-N-CA 123.293 0.637 . . . . 75.2 109.453 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.25 118.8 37.64 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 108.472 -0.936 . . . . 63.23 108.472 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.728 HG21 HD13 ' A' ' 18' ' ' ILE . 2.1 mp -100.06 115.67 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 108.494 -0.928 . . . . 73.43 108.494 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.605 ' HB2' HD11 ' A' ' 64' ' ' LEU . 22.5 t-20 -100.23 124.93 46.26 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 106.807 -1.553 . . . . 74.42 106.807 170.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 t -143.94 129.81 19.4 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 122.875 0.47 . . . . 72.11 109.864 -177.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.26 -24.98 29.71 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.21 -0.905 . . . . 72.42 109.56 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.474 ' ND2' ' HB2' ' A' ' 14' ' ' LEU . 45.9 t30 -91.68 114.25 26.74 Favored 'General case' 0 C--O 1.245 0.866 0 C-N-CA 123.722 0.809 . . . . 63.24 110.849 -175.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -69.29 -40.35 77.76 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.912 -1.04 . . . . 73.23 111.981 -174.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.433 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -67.54 -26.17 66.18 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 110.118 -0.327 . . . . 51.32 110.118 178.615 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.474 ' HB2' ' ND2' ' A' ' 11' ' ' ASN . 29.1 tp -68.18 -41.8 80.91 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-O 118.733 -0.651 . . . . 64.11 110.291 176.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.495 ' HA ' HD12 ' A' ' 18' ' ' ILE . 34.4 mt -48.24 -41.6 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 124.261 0.976 . . . . 72.33 111.303 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 46.5 mtmt -59.6 -49.47 77.62 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 123.984 0.802 . . . . 71.14 110.472 178.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -67.57 -31.41 71.46 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.55 1.14 . . . . 73.21 111.564 -176.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.728 HD13 HG21 ' A' ' 7' ' ' ILE . 82.4 mt -63.47 -53.12 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.412 -0.959 . . . . 74.21 108.412 173.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.563 ' HG2' HG11 ' A' ' 29' ' ' VAL . 99.2 mttt -52.66 -46.85 67.37 Favored 'General case' 0 C--N 1.362 1.133 0 O-C-N 124.476 1.11 . . . . 63.35 110.631 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -62.61 -38.02 88.54 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.8 0.84 . . . . 63.13 112.092 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 24.7 mm-40 -62.39 -42.85 99.74 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.873 0.469 . . . . 70.21 110.947 173.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 18' ' ' ILE . 35.8 t -72.03 -27.42 27.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 123.76 0.824 . . . . 74.51 110.907 -177.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 23.0 mm-40 -71.98 -31.21 66.03 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.285 0.634 . . . . 74.3 111.017 174.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -73.25 -29.21 62.6 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.052 0.541 . . . . 71.14 110.447 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.586 ' HG3' ' HG3' ' A' ' 121' ' ' MET . 17.3 mm-40 -88.69 -26.82 21.63 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.635 0.774 . . . . 61.01 110.5 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.3 47.24 8.37 Favored Glycine 0 C--N 1.341 0.84 0 CA-C-N 116.262 -0.427 . . . . 55.22 113.053 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.524 ' HB2' HG13 ' A' ' 22' ' ' VAL . 2.2 m-85 -108.7 171.22 7.55 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.807 0.843 . . . . 72.44 109.727 174.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -91.46 116.17 28.63 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.358 0.663 . . . . 71.31 110.061 -176.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.563 HG11 ' HG2' ' A' ' 19' ' ' LYS . 36.9 t -94.89 117.88 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.498 0.719 . . . . 73.53 109.859 177.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -127.14 109.01 11.41 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.863 -1.162 . . . . 73.45 107.863 165.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -86.74 116.22 24.7 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 109.19 -0.67 . . . . 61.21 109.19 175.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.536 HG11 ' HB3' ' A' ' 38' ' ' LEU . 74.1 t -88.96 123.61 41.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 124.785 1.234 . . . . 73.11 109.914 173.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -121.21 4.77 10.31 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.352 1.061 . . . . 73.23 110.736 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.435 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 25.6 t70 -155.22 152.28 29.14 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.099 0.56 . . . . 73.11 110.845 -171.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.426 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 48.9 m -64.36 -32.43 74.04 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.888 0.875 . . . . 62.11 112.682 -176.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -80.4 -21.9 41.81 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 122.472 0.309 . . . . 73.35 110.363 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 28.3 mm-40 -67.65 -44.14 78.61 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.95 0.5 . . . . 63.23 111.159 175.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.536 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.2 pp -66.19 -42.0 89.44 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.064 0.227 . . . . 61.21 111.428 -175.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -71.21 -33.03 69.52 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.617 0.573 . . . . 64.02 110.39 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.7 pttm -73.12 -32.13 64.74 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 109.337 -0.616 . . . . 61.32 109.337 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.568 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 63.2 mm-40 -72.49 -30.97 64.99 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 123.38 0.425 . . . . 75.34 110.916 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 33.3 mmt -66.02 -31.16 71.89 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.323 0.249 . . . . 62.31 110.425 172.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -74.98 -36.46 62.01 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.688 0.795 . . . . 72.33 110.38 174.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -59.87 -60.72 3.39 Favored 'General case' 0 C--O 1.206 -1.196 0 C-N-CA 123.979 0.911 . . . . 74.02 110.511 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 32.1 mt -61.28 -28.07 68.93 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.566 0.746 . . . . 53.01 111.495 -174.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.37 -48.53 41.02 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.981 0.912 . . . . 53.04 111.421 177.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -80.59 -35.26 34.41 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.216 0.607 . . . . 74.24 112.022 -174.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -72.96 96.5 2.14 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 107.758 -1.201 . . . . 62.52 107.758 171.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -75.37 -64.79 0.99 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.085 -0.507 . . . . 52.33 112.104 -165.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -105.86 94.96 5.47 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.195 0.598 . . . . 54.0 111.229 -174.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -159.79 161.56 34.65 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 124.016 0.926 . . . . 74.54 109.057 165.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -66.14 160.57 23.76 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.548 0.739 . . . . 64.21 111.293 -174.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 13.4 ptpt -48.69 148.89 1.92 Allowed 'General case' 0 C--O 1.245 0.849 0 C-N-CA 125.661 1.584 . . . . 52.55 112.681 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.59 142.43 27.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-N 115.081 -0.963 . . . . 73.23 110.162 -165.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.523 HD22 HG21 ' A' ' 22' ' ' VAL . 3.8 tt -106.57 110.39 22.58 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.925 -1.034 . . . . 75.33 108.905 175.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.495 HG21 ' SD ' ' A' ' 67' ' ' MET . 36.3 mm -99.43 127.56 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 123.687 0.795 . . . . 72.32 108.888 177.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.432 HG21 HG23 ' A' ' 15' ' ' ILE . 60.5 mt -103.84 110.64 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 108.635 -0.876 . . . . 55.53 108.635 173.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.0 t -113.7 106.43 14.49 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 108.656 -0.868 . . . . 44.34 108.656 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -83.93 13.61 4.8 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.963 0.905 . . . . 62.02 112.557 -171.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.438 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 20.1 t70 -140.32 144.79 36.54 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.537 0.735 . . . . 72.1 109.394 172.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.611 ' HE2' ' HB3' ' A' ' 89' ' ' GLU . 63.8 mttp -84.09 -23.96 30.54 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.281 -0.872 . . . . 74.54 112.68 -173.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -71.29 -32.04 68.18 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 109.015 -0.735 . . . . 73.51 109.015 174.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.444 HD13 HG12 ' A' ' 32' ' ' VAL . 59.7 mt -66.59 -40.83 89.07 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 115.619 -0.719 . . . . 62.31 110.803 175.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.605 HD11 ' HB2' ' A' ' 8' ' ' ASN . 88.5 mt -53.59 -58.68 6.32 Favored 'General case' 0 C--N 1.362 1.144 0 O-C-N 124.445 1.091 . . . . 72.0 110.591 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -55.29 -48.87 73.45 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 124.265 0.978 . . . . 72.43 112.27 -170.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -58.3 -47.75 82.67 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 124.008 0.817 . . . . 74.11 110.903 176.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.495 ' SD ' HG21 ' A' ' 56' ' ' ILE . 24.1 ttm -66.01 -39.51 90.33 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.157 -0.929 . . . . 73.22 111.338 -173.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 80.8 mt -55.18 -45.48 75.78 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.271 1.028 . . . . 60.24 110.766 178.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.53 -32.44 62.47 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.69 -1.141 . . . . 72.02 111.353 -176.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 90.7 mt -68.37 -42.75 78.7 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 122.421 0.288 . . . . 62.01 110.976 175.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.45 HG23 ' HB2' ' A' ' 76' ' ' TYR . 92.0 mt -63.22 -33.65 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 123.597 0.759 . . . . 74.45 110.581 174.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.5 t -61.29 -45.79 93.03 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.449 -0.796 . . . . 63.4 110.792 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -14.54 55.24 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.654 0.382 . . . . 72.03 111.707 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 83.7 mt -73.8 -29.97 62.47 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 109.596 -0.52 . . . . 63.23 109.596 169.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.11 7.95 51.51 Favored Glycine 0 C--N 1.348 1.238 0 CA-C-N 116.031 -0.531 . . . . 73.34 113.324 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.45 ' HB2' HG23 ' A' ' 71' ' ' ILE . 12.5 m-85 -89.5 161.61 16.14 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.706 0.402 . . . . 65.32 110.078 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -70.63 128.19 35.24 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 123.423 0.452 . . . . 54.32 109.851 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.0 t -93.11 106.69 18.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 N-CA-C 108.533 -0.914 . . . . 73.34 108.533 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -115.84 140.93 48.74 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 106.794 -1.558 . . . . 73.14 106.794 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.3 tp -132.14 144.03 50.4 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.342 -0.985 . . . . 62.52 108.342 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.8 tp -141.7 114.31 8.39 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 105.824 -1.917 . . . . 64.11 105.824 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.505 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -122.32 133.46 54.67 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.317 0.579 . . . . 72.3 110.17 -176.713 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.33 147.64 49.2 Favored 'General case' 0 C--O 1.245 0.857 0 CA-C-N 114.92 -1.036 . . . . 61.42 108.216 176.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.495 ' HB2' HD21 ' A' ' 90' ' ' LEU . 7.5 t70 -164.09 156.79 17.49 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.379 -0.971 . . . . 75.14 108.379 -177.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -73.28 -13.08 61.06 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.243 0.617 . . . . 75.13 111.449 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -130.86 112.02 12.62 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.081 1.352 . . . . 73.22 108.254 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -78.72 -4.61 50.06 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.177 0.591 . . . . 73.03 112.381 -172.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -64.77 -38.33 90.62 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.536 -0.542 . . . . 73.05 109.536 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.611 ' HB3' ' HE2' ' A' ' 61' ' ' LYS . 49.0 mm-40 -55.87 -47.9 76.53 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.106 -0.952 . . . . 55.44 111.435 169.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.505 HD22 ' HB2' ' A' ' 82' ' ' LEU . 80.4 mt -70.21 -39.32 75.22 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.627 -1.17 . . . . 73.42 112.63 -171.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -81.63 -32.0 32.14 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.718 0.636 . . . . 61.45 111.086 -173.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.7 -46.82 83.75 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 123.695 0.798 . . . . 62.23 109.692 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.475 ' O ' HG12 ' A' ' 97' ' ' ILE . 6.4 t80 -63.12 -52.76 61.27 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 114.684 -1.144 . . . . 75.11 109.817 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -60.82 -46.13 91.76 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.789 0.836 . . . . 71.44 111.99 -174.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -60.97 -28.76 69.23 Favored 'General case' 0 N--CA 1.485 1.304 0 O-C-N 123.596 0.56 . . . . 64.05 111.473 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -71.47 -44.78 64.13 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.82 -0.627 . . . . 63.32 110.053 172.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 93' ' ' PHE . 48.5 mm -67.41 -30.29 48.51 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.282 0 C-N-CA 124.089 0.956 . . . . 54.14 111.864 -176.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -53.71 -49.22 68.55 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.495 0.718 . . . . 54.31 110.644 169.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.3 t -72.42 -30.69 64.86 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 114.892 -1.049 . . . . 71.34 110.913 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -77.04 -15.89 59.46 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.645 0.778 . . . . 75.31 111.089 177.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.65 42.38 26.66 Favored Glycine 0 C--N 1.35 1.335 0 CA-C-O 119.746 -0.475 . . . . 43.41 113.823 172.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -117.07 135.96 53.34 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.499 -0.926 . . . . 75.22 108.499 173.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -68.96 109.75 4.1 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.207 0.603 . . . . 73.14 110.489 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.7 p -128.2 135.65 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-O 121.483 0.658 . . . . 65.25 111.584 -174.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.508 ' HB3' HD13 ' A' ' 116' ' ' ILE . 5.0 mmp_? -109.7 141.84 41.72 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.404 1.081 . . . . 74.11 109.126 178.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -128.39 130.78 48.19 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.476 0.71 . . . . 73.52 110.675 -174.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.4 m -151.92 128.08 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.361 1.064 . . . . 73.32 109.833 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.1 m -69.42 -40.16 77.44 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 121.786 0.803 . . . . 74.5 109.263 167.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.4 ' OD1' ' HG2' ' A' ' 111' ' ' GLU . 13.1 t70 -78.14 132.02 37.48 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.369 -1.287 . . . . 75.24 110.303 -170.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -65.49 -43.26 90.72 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 114.37 -1.286 . . . . 75.33 113.252 -175.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.4 ' HG2' ' OD1' ' A' ' 109' ' ' ASP . 9.3 pt-20 -76.61 -26.12 54.64 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 122.117 -0.365 . . . . 74.05 110.36 -176.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -69.96 -24.24 63.31 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.629 0.372 . . . . 74.11 111.087 173.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -69.02 -40.32 78.71 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.593 0.357 . . . . 71.11 110.489 170.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.07 -36.76 85.05 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 123.755 0.659 . . . . 53.31 110.35 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 4.3 ttmp? -58.24 -40.98 83.14 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 124.097 0.873 . . . . 74.22 110.782 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.508 HD13 ' HB3' ' A' ' 105' ' ' ARG . 62.0 mt -80.95 -28.39 11.16 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 C-N-CA 123.045 0.538 . . . . 73.52 111.38 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 113' ' ' ALA . 62.4 t -59.54 -53.6 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 122.876 0.471 . . . . 71.24 109.837 172.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 115' ' ' LYS . 1.3 ptm180 -69.59 -36.36 76.17 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.406 0.441 . . . . 75.54 111.279 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.5 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 19.9 mt-10 -53.77 -54.77 33.5 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 118.719 -0.658 . . . . 62.54 110.946 173.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -49.77 -34.36 19.06 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.718 0.807 . . . . 72.22 112.213 -174.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.586 ' HG3' ' HG3' ' A' ' 25' ' ' GLN . 20.2 mmt -62.21 -38.36 88.85 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.863 0.865 . . . . 74.45 112.225 -177.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -101.3 -25.38 13.99 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.372 0.669 . . . . 73.22 112.118 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -89.51 -24.04 21.89 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.748 0.819 . . . . 74.33 111.361 -171.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.656 ' HA ' ' HB2' ' A' ' 127' ' ' LEU . . . -63.55 -27.21 69.1 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 110.057 -0.349 . . . . 51.12 110.057 174.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.91 108.44 2.48 Favored Glycine 0 C--N 1.355 1.615 0 N-CA-C 110.699 -0.96 . . . . 74.55 110.699 165.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.4 m 67.01 36.23 4.31 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.859 1.264 . . . . 71.35 110.71 -174.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.656 ' HB2' ' HA ' ' A' ' 124' ' ' ALA . 26.2 tp -62.86 147.37 50.34 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.109 -0.95 . . . . 61.25 110.897 175.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.541 ' HG3' ' HG ' ' A' ' 127' ' ' LEU . 33.1 mt-10 75.01 -20.72 0.33 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.93 1.292 . . . . 74.13 112.453 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -67.72 -43.91 78.89 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 107.923 -1.14 . . . . 73.11 107.923 167.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -102.94 88.93 3.29 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.665 -1.152 . . . . 64.33 108.617 171.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -158.94 168.3 27.13 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.129 0.972 . . . . 74.01 108.413 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -138.82 144.69 39.4 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.321 0.648 . . . . 62.1 109.783 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -156.41 -163.69 1.5 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.711 0.804 . . . . 61.54 109.356 -174.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 . . . . . 0 CA--C 1.554 1.101 0 N-CA-C 108.727 -0.842 . . . . 73.1 108.727 173.531 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 109.788 -0.449 . . . . 74.24 109.788 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -78.2 145.55 35.5 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.234 0.54 . . . . 75.35 110.099 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.559 ' HA ' ' HB3' ' A' ' 77' ' ' LYS . 35.9 mt-10 -128.36 118.19 22.74 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.548 1.139 . . . . 72.54 107.947 -176.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.73 112.65 24.83 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.791 -0.818 . . . . 72.03 108.791 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 tt -112.47 117.34 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.935 0.894 . . . . 65.14 109.048 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.507 ' HB3' HD22 ' A' ' 64' ' ' LEU . 6.2 mp -104.09 123.32 47.03 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.595 -0.891 . . . . 64.02 108.595 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 mp -101.89 140.0 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 108.349 -0.982 . . . . 75.01 108.349 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.49 ' HB2' HD11 ' A' ' 64' ' ' LEU . 4.2 t-20 -117.39 108.7 15.89 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 107.627 -1.249 . . . . 53.52 107.627 171.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.2 t -146.58 134.48 21.33 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.053 0.454 . . . . 70.34 109.852 174.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -99.83 2.68 44.16 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.215 -0.902 . . . . 61.54 110.075 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -93.03 102.19 14.53 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.24 1.016 . . . . 73.02 108.823 175.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 6.8 m-20 -61.48 -34.88 76.21 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.072 0.949 . . . . 72.51 111.969 -177.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -61.83 -38.8 89.52 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.136 0.897 . . . . 74.04 110.154 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.8 tp -67.44 -44.1 79.5 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 123.697 0.623 . . . . 70.14 110.891 176.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.502 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 46.4 mt -54.53 -44.35 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 O-C-N 123.801 0.688 . . . . 74.23 109.858 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 30.0 mmmt -53.88 -49.88 67.56 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.23 1.012 . . . . 71.35 111.428 176.315 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.558 ' HE2' HD11 ' A' ' 114' ' ' LEU . 57.7 mtpt -67.98 -39.64 83.28 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.282 1.033 . . . . 53.41 111.564 -175.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 22' ' ' VAL . 81.5 mt -60.94 -51.83 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 108.91 -0.774 . . . . 75.54 108.91 176.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.617 ' HG2' HG11 ' A' ' 29' ' ' VAL . 93.9 mttt -50.21 -51.15 46.63 Favored 'General case' 0 C--N 1.362 1.113 0 O-C-N 124.527 1.142 . . . . 74.01 110.809 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -54.98 35.31 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.333 1.021 . . . . 73.31 111.596 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 28.2 mm-40 -53.25 -50.05 65.61 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 123.88 0.738 . . . . 64.34 111.237 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.558 HG13 ' HB2' ' A' ' 27' ' ' TYR . 71.9 t -69.29 -32.27 52.92 Favored 'Isoleucine or valine' 0 C--O 1.25 1.128 0 C-N-CA 125.467 1.507 . . . . 73.31 112.632 -172.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.62 -32.53 73.31 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.736 0.815 . . . . 72.22 111.362 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -78.04 -18.49 55.78 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.606 0.362 . . . . 60.23 111.094 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 8.7 mm-40 -92.0 -7.48 48.77 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.167 0.587 . . . . 73.03 110.993 175.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.04 -3.12 85.81 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-O 119.203 -0.776 . . . . 45.33 114.774 172.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.558 ' HB2' HG13 ' A' ' 22' ' ' VAL . 2.2 m-85 -73.28 146.94 45.0 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 118.023 0.912 . . . . 72.03 109.943 -176.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.407 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 1.0 OUTLIER -78.0 110.24 12.77 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 108.436 -0.95 . . . . 62.13 108.436 -179.102 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.617 HG11 ' HG2' ' A' ' 19' ' ' LYS . 38.3 t -83.21 122.15 37.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 122.824 0.449 . . . . 60.43 110.067 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.407 ' NH1' ' HB3' ' A' ' 28' ' ' GLN . 2.4 mpt_? -116.48 150.79 37.3 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.9 0.88 . . . . 74.43 108.796 168.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -127.33 113.58 16.45 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 107.728 -1.212 . . . . 74.12 107.728 162.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.6 HG11 ' HB3' ' A' ' 38' ' ' LEU . 79.7 t -97.38 120.6 46.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.327 -0.99 . . . . 71.12 108.327 175.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -113.15 -18.08 12.22 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.062 0.945 . . . . 72.23 110.374 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -135.05 154.35 51.74 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.584 0.754 . . . . 65.43 110.15 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.8 m -65.77 -20.19 66.17 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.285 1.034 . . . . 54.24 113.103 -172.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -66.76 -44.02 82.52 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.488 0.315 . . . . 72.31 110.648 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.5 ' HB2' HG13 ' A' ' 32' ' ' VAL . 39.7 mt-10 -61.29 -46.22 91.22 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.053 0.941 . . . . 65.31 112.13 -172.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.6 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.6 pp -66.27 -44.22 84.21 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.729 0.643 . . . . 74.34 111.658 -174.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -73.38 -32.29 64.4 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 116.442 -0.345 . . . . 72.12 110.72 -171.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 28.0 mtpp -60.12 -51.87 67.77 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.999 0.812 . . . . 75.42 110.417 174.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -78.36 -27.29 46.9 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.835 -0.62 . . . . 75.41 111.811 -173.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.439 ' SD ' HD12 ' A' ' 45' ' ' LEU . 14.0 mmt -68.61 -31.9 71.39 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.692 0.397 . . . . 75.53 111.187 177.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -62.19 -46.52 88.55 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.691 0.619 . . . . 75.51 109.424 168.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 28.3 mmmt -71.03 -22.25 62.17 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.387 -0.824 . . . . 54.1 112.613 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.439 HD12 ' SD ' ' A' ' 42' ' ' MET . 93.7 mt -76.3 -40.75 50.76 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.694 -0.484 . . . . 75.04 109.694 173.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.56 93.07 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.919 0.888 . . . . 72.03 111.205 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -76.44 -55.63 5.37 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.759 0.824 . . . . 53.32 110.135 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -104.95 94.94 5.53 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.502 -0.772 . . . . 63.01 109.47 -173.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.554 ' HE2' ' HE1' ' A' ' 76' ' ' TYR . 38.0 ttmt -74.19 -64.05 1.1 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 107.925 -1.139 . . . . 73.35 107.925 169.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 26.33 -80.09 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 127.322 2.249 . . . . 74.5 115.748 168.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -68.59 172.72 5.83 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.711 1.204 . . . . 55.21 112.535 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.06 -164.24 0.05 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 125.054 1.342 . . . . 33.24 112.558 -174.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.09 152.47 29.29 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.902 0.881 . . . . 64.42 112.272 -178.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.67 143.22 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.128 0.971 . . . . 75.11 109.979 -168.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.425 HD22 HG11 ' A' ' 22' ' ' VAL . 1.7 tp -101.02 131.37 46.94 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.039 0.936 . . . . 70.51 109.324 170.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.3 mm -118.08 135.04 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 108.027 -1.101 . . . . 65.42 108.027 174.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.1 mt -123.05 146.64 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 108.524 -0.917 . . . . 73.11 108.524 171.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.3 t -153.66 155.09 35.37 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.728 0.811 . . . . 74.22 109.305 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -95.69 -15.95 22.32 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.606 0.762 . . . . 62.41 110.456 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -113.98 134.84 54.58 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.825 0.85 . . . . 72.03 110.808 -170.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.453 ' HA ' HD12 ' A' ' 64' ' ' LEU . 9.4 mptt -77.75 -29.06 50.85 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.055 0.542 . . . . 72.03 112.243 -176.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -68.64 -30.4 69.09 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 110.144 -0.317 . . . . 70.52 110.144 -177.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.568 HD13 HG12 ' A' ' 32' ' ' VAL . 62.7 mt -68.15 -46.29 71.2 Favored 'General case' 0 C--O 1.247 0.942 0 C-N-CA 123.526 0.73 . . . . 63.1 109.55 175.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' A' ' 6' ' ' LEU . 76.7 mt -57.56 -50.19 73.92 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 114.675 -1.148 . . . . 74.5 110.289 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 54.6 tptt -51.33 -52.48 45.03 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 124.703 1.252 . . . . 75.41 110.999 -177.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -58.2 -48.07 81.49 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 124.003 0.815 . . . . 75.12 111.811 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.43 ' O ' HG13 ' A' ' 71' ' ' ILE . 76.5 mtm -62.01 -48.73 79.01 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 123.46 0.475 . . . . 62.32 111.346 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 90.7 mt -53.17 -44.06 67.56 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.733 1.213 . . . . 74.23 111.571 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 56.6 mm-40 -66.67 -41.82 87.56 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 115.659 -0.7 . . . . 73.01 110.799 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.406 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 97.2 mt -60.53 -51.66 68.51 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.664 0.603 . . . . 74.43 111.273 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 67' ' ' MET . 44.5 mt -59.57 -28.48 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 124.432 1.093 . . . . 75.22 111.339 -175.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 t -60.83 -49.76 76.2 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.68 -0.691 . . . . 63.51 111.117 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.417 ' HE3' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -86.57 -6.56 58.85 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 122.213 -0.304 . . . . 54.22 111.378 178.382 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 70.3 mt -78.77 -20.35 50.09 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 109.356 -0.609 . . . . 72.1 109.356 168.082 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.35 20.52 78.76 Favored Glycine 0 C--N 1.35 1.344 0 CA-C-N 115.63 -0.713 . . . . 63.34 113.355 173.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.554 ' HE1' ' HE2' ' A' ' 49' ' ' LYS . 15.1 m-85 -92.05 161.43 14.78 Favored 'General case' 0 C--O 1.24 0.603 0 C-N-CA 123.268 0.627 . . . . 74.42 109.467 174.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.559 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 24.5 ttmm -67.55 111.49 4.18 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.655 -0.702 . . . . 73.41 110.155 -178.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.6 t -90.83 123.97 43.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 N-CA-C 109.764 -0.458 . . . . 70.2 109.764 -177.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -136.95 141.78 42.63 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.957 -1.127 . . . . 65.45 107.957 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.504 HD11 HD13 ' A' ' 64' ' ' LEU . 50.2 tp -131.02 148.17 52.72 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.67 -0.863 . . . . 65.24 108.67 175.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.558 HD13 HG21 ' A' ' 116' ' ' ILE . 19.4 tp -138.83 135.1 34.21 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 105.867 -1.901 . . . . 64.22 105.867 175.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.687 HD13 ' HB3' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -140.16 137.07 34.11 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.183 0.516 . . . . 73.41 110.748 178.063 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' A' ' 107' ' ' VAL . 2.6 pp0? -145.24 142.3 29.39 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 114.792 -1.095 . . . . 73.53 109.124 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -165.49 161.38 18.63 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 115.093 -0.958 . . . . 54.02 109.063 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -63.99 -32.05 73.45 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.64 0.776 . . . . 74.24 110.228 174.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -101.31 111.99 24.37 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.704 0.801 . . . . 71.41 109.075 171.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.552 ' HG3' HD12 ' A' ' 90' ' ' LEU . 31.5 tt0 -85.38 -3.61 58.9 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 122.998 0.519 . . . . 74.14 111.264 -178.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -75.33 -27.15 59.13 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.674 0.389 . . . . 73.24 110.664 176.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -63.25 -43.44 98.0 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 121.687 0.756 . . . . 60.2 110.483 168.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.687 ' HB3' HD13 ' A' ' 82' ' ' LEU . 52.9 mt -71.07 -39.44 72.19 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.025 -1.443 . . . . 72.44 112.148 -170.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.54 -41.02 66.27 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.075 0.55 . . . . 72.43 111.857 -175.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -62.33 -42.66 99.56 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.361 0.664 . . . . 71.3 111.421 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' ' 97' ' ' ILE . 10.1 t80 -68.28 -51.38 45.59 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.483 -0.781 . . . . 60.43 109.7 176.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.495 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 27.9 ttpp -59.06 -48.75 80.45 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 113.201 0.815 . . . . 71.52 113.201 -171.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.9 ptt85 -58.85 -27.05 64.77 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 112.13 0.418 . . . . 44.3 112.13 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.33 -35.13 25.44 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.233 0.613 . . . . 73.12 110.837 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.534 HG23 ' HD2' ' A' ' 102' ' ' TYR . 33.4 mm -69.42 -38.23 76.75 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.371 0 C-N-CA 123.506 0.722 . . . . 64.2 111.265 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.43 -27.8 68.78 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 124.55 1.14 . . . . 71.13 111.665 171.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.7 t -67.82 -36.72 80.88 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.918 0.487 . . . . 71.4 110.487 176.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -71.93 -25.37 61.87 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 110.161 -0.311 . . . . 70.44 110.161 169.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.76 45.14 3.22 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 116.336 -0.393 . . . . 75.45 112.949 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.534 ' HD2' HG23 ' A' ' 97' ' ' ILE . 17.7 m-85 -104.37 145.45 30.24 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.484 -0.561 . . . . 74.22 109.484 177.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -78.25 96.2 5.18 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.032 -0.729 . . . . 71.33 109.032 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 80' ' ' LEU . 1.8 p -119.52 130.84 73.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 C-N-CA 123.874 0.87 . . . . 50.31 110.848 -175.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -110.77 144.1 40.27 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 123.052 0.541 . . . . 70.24 110.514 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.495 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 28.2 ttpp -117.85 125.23 50.14 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.524 1.13 . . . . 72.34 109.668 -177.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 83' ' ' GLN . 21.1 m -142.91 143.38 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.312 1.045 . . . . 74.1 108.655 178.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.7 m -87.44 -26.27 23.35 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.375 0.607 . . . . 64.23 110.188 169.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.3 144.73 26.66 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.732 0.813 . . . . 70.12 112.495 -167.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -58.36 -56.16 25.66 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.823 1.249 . . . . 71.21 110.149 168.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -64.37 -33.76 76.6 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 114.788 -1.096 . . . . 51.34 112.397 -173.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.476 ' O ' HG12 ' A' ' 116' ' ' ILE . 44.2 mm-40 -76.43 -29.62 57.08 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 122.388 0.275 . . . . 64.01 110.903 178.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -66.74 -40.28 88.25 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.624 0.37 . . . . 63.34 110.311 173.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.558 HD11 ' HE2' ' A' ' 17' ' ' LYS . 92.1 mt -60.35 -41.76 94.34 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.556 0.742 . . . . 73.01 110.249 173.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 4.7 ttmp? -60.61 -49.49 77.32 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.207 0.942 . . . . 74.35 110.245 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.558 HG21 HD13 ' A' ' 81' ' ' LEU . 43.1 mm -59.64 -39.39 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 123.186 0.595 . . . . 65.32 111.71 -175.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 113' ' ' ALA . 94.5 t -57.49 -41.98 79.94 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 122.999 0.52 . . . . 62.51 110.379 177.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -71.91 -47.63 51.28 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.082 0.953 . . . . 73.11 110.862 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 17.1 mm-40 -54.69 -40.48 69.18 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.178 0.991 . . . . 71.13 111.344 178.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.478 ' HE2' ' HE2' ' A' ' 27' ' ' TYR . 25.5 t80 -53.78 -54.08 43.33 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 124.272 0.983 . . . . 75.2 111.328 177.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.422 ' HG3' ' O ' ' A' ' 117' ' ' VAL . 53.6 mtt -61.58 -25.12 67.12 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 124.002 0.814 . . . . 70.31 112.581 -168.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -95.16 -39.53 10.06 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.037 0.535 . . . . 73.42 111.285 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -16.7 61.36 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.229 0.538 . . . . 73.45 110.902 -177.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.67 -2.99 25.44 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.448 1.099 . . . . 45.34 111.529 175.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -82.38 48.48 3.96 Favored Glycine 0 C--N 1.351 1.39 0 N-CA-C 111.858 -0.497 . . . . 73.12 111.858 169.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.7 t -165.72 176.16 8.23 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 124.851 1.26 . . . . 72.11 108.551 -174.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 61.3 tp -105.88 142.45 35.58 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.857 0.863 . . . . 60.1 109.441 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -80.64 74.89 7.55 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.631 -0.877 . . . . 61.21 108.631 173.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -94.82 16.67 15.3 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.304 0.642 . . . . 63.51 110.469 -176.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -77.48 76.8 4.01 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 121.403 0.621 . . . . 75.53 110.059 173.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -100.93 -52.04 3.4 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 108.253 -1.017 . . . . 74.11 108.253 172.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -158.22 108.3 2.1 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.19 -0.914 . . . . 71.21 109.889 177.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -125.0 -40.09 2.19 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 108.156 -1.053 . . . . 75.34 108.156 170.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 . . . . . 0 C--O 1.251 1.171 0 CA-C-N 114.481 -1.236 . . . . 72.12 108.139 165.4 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptp . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.884 0.373 . . . . 74.4 110.574 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 76' ' ' TYR . 9.5 ptpp? -134.84 132.82 39.07 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 107.069 -1.456 . . . . 71.2 107.069 164.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.54 ' HB2' ' HD2' ' A' ' 53' ' ' LYS . 1.4 mp0 -84.17 135.05 34.53 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.263 0.554 . . . . 72.0 110.215 -176.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -110.76 112.91 25.11 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 107.985 -1.116 . . . . 64.44 107.985 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 tt -106.6 122.4 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 108.762 -0.829 . . . . 73.5 108.762 176.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.63 123.02 48.75 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.368 -0.975 . . . . 72.11 108.368 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.664 HG21 HD13 ' A' ' 18' ' ' ILE . 2.4 mp -103.85 123.96 57.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 108.911 -0.774 . . . . 73.32 108.911 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.522 ' HB2' HD11 ' A' ' 64' ' ' LEU . 59.0 t30 -96.66 119.47 35.19 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 106.15 -1.796 . . . . 63.25 106.15 166.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.575 HG23 HG12 ' A' ' 15' ' ' ILE . 2.3 t -143.58 117.74 9.52 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.385 -0.598 . . . . 73.23 109.385 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -107.44 6.36 28.15 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.393 -0.821 . . . . 63.15 111.294 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.415 ' O ' HG13 ' A' ' 15' ' ' ILE . 50.0 t-20 -92.05 108.67 20.11 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.106 -1.442 . . . . 55.04 107.106 166.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.87 -47.3 80.74 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.565 1.146 . . . . 44.21 111.586 -175.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.15 -37.66 88.27 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.158 -0.928 . . . . 73.23 110.413 -178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.0 tp -66.45 -38.15 86.74 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 118.711 -0.662 . . . . 73.32 111.729 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.575 HG12 HG23 ' A' ' 9' ' ' THR . 16.8 mt -54.01 -44.16 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 CA-C-O 121.232 0.539 . . . . 75.33 109.934 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -63.08 -41.32 99.4 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 114.392 -1.276 . . . . 71.03 111.099 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -70.89 -38.29 73.04 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.473 -0.785 . . . . 64.52 111.392 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.664 HD13 HG21 ' A' ' 7' ' ' ILE . 98.9 mt -58.76 -50.12 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.533 0.733 . . . . 61.55 109.224 177.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.633 ' HG2' HG11 ' A' ' 29' ' ' VAL . 99.5 mttt -49.93 -43.77 50.03 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 124.601 1.188 . . . . 72.24 111.556 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -70.35 -36.87 74.46 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.756 0.823 . . . . 75.02 112.441 -177.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 18.5 mm-40 -63.39 -39.42 94.45 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 121.047 0.451 . . . . 44.31 110.275 174.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 18' ' ' ILE . 57.4 t -73.81 -29.4 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.369 1.067 . . . . 72.22 111.101 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -71.01 -26.08 62.96 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.547 0.739 . . . . 72.43 110.631 173.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -71.66 -35.51 70.38 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.114 0.566 . . . . 71.43 110.003 172.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 76.3 mm-40 -82.75 -24.4 33.54 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.582 0.753 . . . . 32.11 111.172 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.6 22.21 58.69 Favored Glycine 0 C--N 1.346 1.089 0 CA-C-N 115.831 -0.622 . . . . 43.34 114.068 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.508 ' HB2' HG13 ' A' ' 22' ' ' VAL . 1.7 m-85 -90.52 161.39 15.51 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 109.53 -0.545 . . . . 74.33 109.53 175.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -91.17 121.21 32.74 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.518 0.727 . . . . 71.11 110.836 -175.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.633 HG11 ' HG2' ' A' ' 19' ' ' LYS . 91.4 t -92.19 122.76 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 122.874 0.47 . . . . 62.12 110.369 175.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -117.77 106.58 13.18 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 108.123 -1.066 . . . . 74.24 108.123 167.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -86.56 117.35 25.28 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.348 -0.982 . . . . 73.12 108.348 175.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.582 HG11 ' HB3' ' A' ' 38' ' ' LEU . 80.0 t -101.98 120.87 52.26 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 CA-C-N 115.25 -0.886 . . . . 74.34 109.71 -175.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -115.03 -21.74 9.89 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.698 -1.137 . . . . 71.51 109.332 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.447 ' HB2' ' HG2' ' A' ' 37' ' ' GLU . 13.9 m-20 -119.93 145.83 46.37 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.165 0.986 . . . . 74.43 110.269 -175.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.9 p -70.4 -21.07 62.89 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.086 0.954 . . . . 72.22 112.712 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -90.76 -28.13 18.46 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 122.239 -0.288 . . . . 72.5 111.409 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.447 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 32.2 mm-40 -63.23 -33.89 76.47 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.444 0.298 . . . . 72.02 111.206 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.582 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.6 pp -65.16 -49.02 71.45 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 123.292 0.37 . . . . 45.45 110.402 178.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -69.72 -28.32 65.72 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 111.611 0.226 . . . . 64.31 111.611 -171.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -64.46 -42.3 96.02 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.531 0.732 . . . . 72.22 110.299 173.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 53.6 mm-40 -76.36 -25.46 54.67 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 112.354 0.501 . . . . 62.21 112.354 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.506 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 80.9 mmm -66.43 -31.36 72.06 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 110.231 -0.285 . . . . 63.3 110.231 173.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -68.27 -42.04 80.16 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.365 0.666 . . . . 74.24 110.446 173.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -58.94 -35.54 73.29 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.966 0.906 . . . . 75.43 111.377 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 73.4 mt -61.05 -48.96 79.33 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.597 0.759 . . . . 73.35 110.873 177.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -69.47 -56.12 8.32 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.045 0.84 . . . . 63.35 111.493 -176.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.65 -50.79 72.11 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.293 1.037 . . . . 71.05 111.623 -173.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -83.05 100.34 10.43 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 107.945 -1.132 . . . . 72.24 107.945 173.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -79.28 -56.77 4.1 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.453 0.301 . . . . 74.32 110.426 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -92.82 91.09 7.29 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.91 0.484 . . . . 65.33 110.656 -176.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -159.96 161.04 34.08 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 123.584 0.754 . . . . 54.13 109.566 164.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.57 133.95 53.95 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.553 0.741 . . . . 74.34 111.211 -174.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.54 ' HD2' ' HB2' ' A' ' 3' ' ' GLU . 46.0 pttt -56.2 135.08 53.43 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.093 0.957 . . . . 64.5 111.383 -176.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.455 ' N ' HD12 ' A' ' 54' ' ' ILE . 3.0 mp -96.43 130.76 44.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 CA-C-N 115.215 -0.902 . . . . 64.21 110.09 -160.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 tt -90.94 113.24 25.42 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.352 -0.84 . . . . 65.31 109.132 174.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.424 HG21 ' SD ' ' A' ' 67' ' ' MET . 26.9 mm -96.66 136.24 28.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 N-CA-C 108.549 -0.908 . . . . 73.54 108.549 176.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.3 mt -113.61 149.62 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 107.244 -1.391 . . . . 54.33 107.244 166.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.4 t -151.73 154.37 36.18 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.394 -0.595 . . . . 55.13 109.394 171.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -90.8 -20.0 22.83 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.351 -0.84 . . . . 55.22 111.139 -173.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -134.15 145.71 49.52 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 122.604 0.362 . . . . 65.41 111.444 -166.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.512 ' HA ' HD12 ' A' ' 64' ' ' LEU . 87.3 mttt -70.57 -34.93 72.74 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.595 1.158 . . . . 42.31 112.345 -173.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.01 -35.98 82.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.881 0.472 . . . . 53.15 110.69 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.449 HD13 HG12 ' A' ' 32' ' ' VAL . 50.9 mt -67.93 -51.72 44.48 Favored 'General case' 0 C--O 1.244 0.784 0 N-CA-C 109.535 -0.543 . . . . 64.44 109.535 179.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.522 HD11 ' HB2' ' A' ' 8' ' ' ASN . 74.8 mt -50.41 -46.79 56.57 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-N 114.771 -1.104 . . . . 71.35 111.278 176.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -61.09 -48.52 81.31 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 114.674 -1.148 . . . . 73.45 111.03 -171.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -60.25 -41.24 92.8 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.872 0.733 . . . . 74.31 111.054 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.474 ' O ' HG13 ' A' ' 71' ' ' ILE . 32.0 mtt -57.3 -47.2 82.09 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-O 118.762 -0.637 . . . . 60.02 110.43 176.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 41.9 mt -55.87 -41.61 74.67 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.684 0.794 . . . . 71.23 111.564 -176.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.37 -42.84 95.97 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.357 -0.838 . . . . 70.04 109.889 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.68 -40.91 79.89 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 115.277 -0.874 . . . . 75.31 111.935 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 67' ' ' MET . 38.7 mt -63.06 -37.55 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 C-N-CA 123.371 0.669 . . . . 75.43 109.409 178.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.7 t -60.19 -48.18 82.8 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 114.623 -1.171 . . . . 63.04 110.834 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.23 -15.53 56.77 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 112.204 0.446 . . . . 74.53 112.204 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.451 HD22 ' HB2' ' A' ' 46' ' ' ALA . 85.2 mt -78.67 -22.83 46.17 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 109.425 -0.583 . . . . 74.34 109.425 171.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.84 9.16 68.61 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 116.18 -0.463 . . . . 61.33 113.247 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.416 ' HB2' HG23 ' A' ' 71' ' ' ILE . 21.9 m-85 -85.28 171.81 11.62 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.271 0.628 . . . . 61.44 110.403 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -83.0 131.68 35.18 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.316 -0.402 . . . . 73.54 110.15 177.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.8 t -89.91 129.01 41.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 123.576 0.75 . . . . 71.34 109.191 171.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -136.22 127.0 27.37 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 105.922 -1.881 . . . . 72.34 105.922 169.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.1 tp -119.88 147.9 44.14 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.175 -1.046 . . . . 75.22 108.175 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.5 tp -145.7 119.42 9.21 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 106.166 -1.79 . . . . 74.11 106.166 178.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.66 HD13 ' HB3' ' A' ' 90' ' ' LEU . 0.9 OUTLIER -126.75 141.67 51.77 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.041 0.448 . . . . 73.34 111.234 -174.401 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.44 148.07 35.55 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 114.919 -1.037 . . . . 72.15 108.475 177.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.494 ' N ' HD11 ' A' ' 90' ' ' LEU . 28.7 t70 -164.47 158.42 18.33 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 114.771 -1.104 . . . . 71.13 108.129 174.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.86 -16.01 62.67 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.58 0.752 . . . . 72.25 110.588 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -117.47 97.13 5.72 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.479 1.111 . . . . 73.14 108.515 169.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -70.84 -16.46 62.72 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.314 0.646 . . . . 73.01 112.098 -176.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -66.76 -25.63 66.58 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.782 0.433 . . . . 73.34 110.704 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -73.7 -32.38 63.89 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.61 0.764 . . . . 71.23 110.967 175.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.66 ' HB3' HD13 ' A' ' 82' ' ' LEU . 89.2 mt -74.52 -47.54 32.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.07 0.948 . . . . 72.21 111.692 -175.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.85 -34.33 77.68 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.812 0.695 . . . . 53.35 112.145 -174.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -69.05 -45.68 69.8 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 122.818 0.447 . . . . 71.02 110.946 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.506 ' O ' HG12 ' A' ' 97' ' ' ILE . 30.6 t80 -61.08 -41.77 97.26 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 109.553 -0.536 . . . . 71.13 109.553 174.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.551 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 29.0 ttpp -66.18 -42.68 88.57 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.817 0.847 . . . . 73.55 112.103 -172.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -63.89 -25.91 68.37 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.392 0.277 . . . . 72.32 111.664 -177.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -68.47 -48.54 64.22 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.203 0.601 . . . . 75.25 110.409 169.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 93' ' ' PHE . 38.1 mm -62.31 -44.08 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 C-N-CA 124.129 0.972 . . . . 74.34 110.994 -175.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.36 -38.79 90.91 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.694 1.198 . . . . 65.2 111.552 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.8 t -66.91 -32.07 73.08 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.017 0.527 . . . . 74.13 110.931 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -88.61 7.08 35.13 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.855 0.862 . . . . 63.41 111.514 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 72.13 25.46 74.57 Favored Glycine 0 C--N 1.348 1.241 0 O-C-N 123.302 0.377 . . . . 64.04 113.84 174.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -96.78 128.54 43.83 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 109.34 -0.615 . . . . 75.23 109.34 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.54 123.15 19.24 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.395 0.678 . . . . 74.54 110.422 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.0 p -141.1 141.94 30.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 123.729 0.812 . . . . 54.34 111.126 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -121.88 142.96 49.73 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.932 0.893 . . . . 74.25 109.026 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.551 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 26.0 ttpp -115.14 138.13 51.25 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.508 0.723 . . . . 64.14 110.964 -177.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.22 -179.16 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.186 0.994 . . . . 74.24 108.961 173.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.8 m -140.21 -42.89 0.42 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.196 0.998 . . . . 73.34 108.376 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.85 147.08 45.76 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 114.527 -1.215 . . . . 62.44 111.115 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -55.16 -50.04 70.31 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 114.426 -1.261 . . . . 74.01 110.079 170.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -65.27 -38.25 89.7 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.051 -0.977 . . . . 72.4 112.001 -175.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -75.94 -25.02 55.55 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.797 0.439 . . . . 73.03 111.278 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -72.44 -50.74 24.03 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 122.877 0.471 . . . . 63.24 110.377 175.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.411 HD22 ' HG3' ' A' ' 21' ' ' GLU . 93.8 mt -60.81 -34.85 75.15 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.758 0.823 . . . . 73.23 110.19 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -55.13 -59.04 5.31 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 114.583 -1.189 . . . . 73.24 111.053 176.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.519 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 32.3 mt -72.57 -25.28 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.161 0 C-N-CA 122.753 0.421 . . . . 72.43 111.938 -174.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 113' ' ' ALA . 70.9 t -58.17 -48.71 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 N-CA-C 109.971 -0.381 . . . . 62.54 109.971 168.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -70.17 -39.75 75.1 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.521 0.728 . . . . 71.14 111.261 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.519 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 40.1 mm-40 -61.68 -38.37 87.55 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 123.682 0.793 . . . . 75.32 111.868 178.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -53.19 -41.39 65.21 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.762 0.425 . . . . 74.44 110.497 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 16.5 mmt -60.07 -37.1 78.88 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 124.086 0.866 . . . . 53.41 111.102 -174.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -92.05 -26.72 18.2 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.159 0.584 . . . . 72.23 112.041 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -83.55 -19.36 35.77 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.327 0.651 . . . . 73.21 111.086 -178.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -88.77 15.38 8.39 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.772 0.829 . . . . 50.34 110.495 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 76.31 75.83 0.85 Allowed Glycine 0 C--N 1.347 1.183 0 CA-C-N 115.724 -0.671 . . . . 74.22 112.243 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.7 p -74.97 71.2 2.05 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-O 122.171 0.986 . . . . 62.34 108.565 169.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.1 mt -73.41 113.56 10.64 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 114.308 -1.315 . . . . 71.12 109.682 -171.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -76.99 75.7 3.56 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.524 0.678 . . . . 53.53 109.565 175.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -76.05 -29.89 58.2 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 106.979 -1.489 . . . . 72.32 106.979 168.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -113.25 101.64 9.6 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 106.772 -1.566 . . . . 74.44 106.772 165.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -72.62 86.37 1.2 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 108.587 -0.894 . . . . 72.2 108.587 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -106.57 114.81 29.14 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 114.569 -1.196 . . . . 74.42 111.488 -167.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -74.54 168.39 19.85 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 109.511 -0.552 . . . . 73.51 109.511 170.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 . . . . . 0 CA--C 1.556 1.191 0 CA-C-O 119.121 -0.466 . . . . 74.14 110.721 -179.68 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 120.949 0.404 . . . . 43.21 109.912 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.423 ' O ' ' HB3' ' A' ' 76' ' ' TYR . 2.0 tppp? -149.75 120.9 7.77 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 105.903 -1.888 . . . . 65.32 105.903 177.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -95.2 128.18 41.83 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.565 -0.532 . . . . 63.23 109.565 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.467 HD11 HD13 ' A' ' 45' ' ' LEU . 3.5 mm? -123.58 110.49 15.09 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 107.428 -1.323 . . . . 75.33 107.428 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.4 HG23 ' HG ' ' A' ' 55' ' ' LEU . 8.4 tt -97.15 124.86 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 108.045 -1.095 . . . . 71.34 108.045 170.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.571 ' HB3' HD22 ' A' ' 64' ' ' LEU . 5.0 mp -106.71 122.03 45.54 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 107.885 -1.154 . . . . 63.43 107.885 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.477 HG21 HD13 ' A' ' 18' ' ' ILE . 2.4 mp -101.29 143.93 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 108.509 -0.923 . . . . 75.23 108.509 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.49 ' HB2' HD11 ' A' ' 64' ' ' LEU . 22.2 t-20 -118.99 109.07 15.52 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 109.143 -0.688 . . . . 73.33 109.143 172.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.639 HG23 HD13 ' A' ' 15' ' ' ILE . 2.0 t -146.08 122.84 11.22 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.428 -0.953 . . . . 72.51 108.428 170.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -86.16 -13.51 46.85 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.495 0.718 . . . . 72.43 109.245 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -75.17 102.75 5.07 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.245 0.618 . . . . 63.04 109.925 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 2.8 m-20 -45.05 -44.9 10.55 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 125.212 1.405 . . . . 75.33 112.326 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -62.53 -41.53 98.93 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.829 0.852 . . . . 70.12 111.489 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.1 tp -69.47 -36.32 76.45 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.841 -0.618 . . . . 54.11 110.762 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.639 HD13 HG23 ' A' ' 9' ' ' THR . 3.6 mm -53.21 -45.62 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 109.539 -0.541 . . . . 63.51 109.539 176.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 69.5 mmtt -58.69 -46.22 87.73 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.764 -1.107 . . . . 74.13 110.765 -176.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' HE2' HD11 ' A' ' 114' ' ' LEU . 50.9 mtpt -72.72 -35.44 67.56 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 114.553 -1.203 . . . . 64.34 111.076 -174.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.615 ' O ' HG23 ' A' ' 22' ' ' VAL . 76.6 mt -63.48 -46.72 94.41 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 N-CA-C 109.393 -0.595 . . . . 72.0 109.393 175.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.502 ' HE3' HG22 ' A' ' 15' ' ' ILE . 97.3 mttt -55.14 -36.4 65.73 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.124 0.57 . . . . 73.52 111.179 177.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -62.49 -47.99 81.53 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.5 0.72 . . . . 74.3 110.935 174.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 24.9 mm-40 -57.77 -46.35 84.68 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.951 0.782 . . . . 74.31 110.013 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 18' ' ' ILE . 21.7 t -64.23 -32.87 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.032 0.933 . . . . 71.3 110.867 -175.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -73.09 -35.29 66.59 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.033 0.533 . . . . 72.04 110.939 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -68.22 -34.91 77.11 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.462 0.705 . . . . 64.52 109.992 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 79.3 mm-40 -87.14 -22.68 25.19 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 114.927 -1.033 . . . . 63.13 111.17 -177.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.72 49.05 11.22 Favored Glycine 0 C--N 1.343 0.947 0 CA-C-N 116.02 -0.536 . . . . 72.04 113.286 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.435 ' HB2' HG13 ' A' ' 22' ' ' VAL . 2.7 m-85 -111.66 169.72 8.63 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.53 1.132 . . . . 71.54 108.962 172.218 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.502 ' HB2' HG23 ' A' ' 54' ' ' ILE . 65.5 mt-30 -87.15 118.61 26.67 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 122.57 0.348 . . . . 73.12 110.423 -178.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.6 t -79.48 118.06 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.173 0.589 . . . . 63.13 110.521 177.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -126.92 133.02 50.74 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.254 1.022 . . . . 73.33 108.443 167.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -130.57 117.09 19.05 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.921 0.488 . . . . 72.04 109.97 170.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.555 HG11 ' HB3' ' A' ' 38' ' ' LEU . 27.3 t -84.32 123.2 38.81 Favored 'Isoleucine or valine' 0 C--O 1.242 0.69 0 C-N-CA 124.041 0.936 . . . . 75.31 109.518 176.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -106.34 -24.65 12.21 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.506 0.722 . . . . 74.45 110.002 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -139.75 150.07 44.34 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.958 0.903 . . . . 73.33 110.474 -170.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 m -65.76 -24.64 66.99 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.009 0.924 . . . . 73.53 113.096 -173.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -76.16 -30.25 58.05 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 122.413 0.285 . . . . 74.1 110.324 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -66.01 -39.86 90.61 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.726 0.41 . . . . 51.45 111.531 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.555 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.1 pp -67.08 -40.53 87.0 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 123.386 0.429 . . . . 71.33 111.856 -172.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -63.7 -34.44 77.87 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.925 0.393 . . . . 71.12 110.378 -176.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -72.36 -44.67 62.23 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.092 0.957 . . . . 73.32 111.134 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.527 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 11.0 pt-20 -78.21 -29.84 48.59 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 119.438 -0.315 . . . . 75.24 111.679 -176.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 34.4 mmt -58.8 -31.91 68.85 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 122.841 0.456 . . . . 70.4 110.261 171.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -70.03 -47.61 61.38 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 115.954 -0.566 . . . . 74.43 110.193 174.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -52.87 -44.18 66.65 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 123.83 0.852 . . . . 64.32 111.216 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 56.6 mt -66.79 -29.7 69.71 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.187 0.995 . . . . 72.24 111.98 -177.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.09 -26.75 16.61 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.88 0.872 . . . . 73.32 112.236 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.03 -42.51 16.09 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.414 0.685 . . . . 73.13 109.991 -177.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -71.59 117.62 13.39 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 108.07 -1.085 . . . . 74.2 108.07 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.536 ' H ' ' HD2' ' A' ' 49' ' ' LYS . 3.1 mptp? -68.34 -63.79 0.99 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.905 0.882 . . . . 74.01 111.065 -164.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -131.91 111.55 11.67 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 109.193 -0.669 . . . . 63.51 109.193 -178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -149.68 172.65 14.73 Favored 'General case' 0 C--O 1.246 0.868 0 C-N-CA 124.936 1.294 . . . . 61.34 107.651 169.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -68.45 158.72 33.12 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.087 0.47 . . . . 65.55 111.532 -174.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.437 ' HD3' ' HB1' ' A' ' 124' ' ' ALA . 10.1 ptpt -70.67 146.56 49.87 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 114.913 -1.04 . . . . 72.3 110.975 -175.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.502 HG23 ' HB2' ' A' ' 28' ' ' GLN . 3.5 mp -113.16 143.77 22.17 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-N 115.48 -0.782 . . . . 62.53 109.765 -163.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.561 HD22 HG21 ' A' ' 22' ' ' VAL . 6.2 tt -101.75 111.15 23.31 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 108.502 -0.925 . . . . 70.42 108.502 173.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.0 mm -96.46 141.21 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 124.212 1.005 . . . . 63.24 108.373 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.3 mt -125.1 157.77 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 106.681 -1.6 . . . . 72.13 106.681 171.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.4 m -141.62 145.08 34.59 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 123.124 0.57 . . . . 50.51 109.623 167.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -78.12 -13.8 59.72 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 114.686 -1.143 . . . . 72.01 110.085 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -137.43 155.67 49.07 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.557 1.143 . . . . 70.21 110.373 -172.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -87.26 -31.0 20.49 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.06 0.944 . . . . 75.31 112.582 -173.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -70.49 -26.16 63.48 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.856 0.462 . . . . 50.2 110.817 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.451 HD13 HG12 ' A' ' 32' ' ' VAL . 56.2 mt -62.75 -43.54 98.53 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 121.643 0.735 . . . . 62.44 109.603 173.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.571 HD22 ' HB3' ' A' ' 6' ' ' LEU . 92.8 mt -64.75 -47.59 77.65 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 114.428 -1.26 . . . . 55.1 110.964 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -53.16 -45.0 68.25 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 123.887 0.742 . . . . 74.45 110.906 -173.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -61.39 -56.55 19.02 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.469 -0.787 . . . . 74.33 111.348 173.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.465 ' SD ' ' HB2' ' A' ' 38' ' ' LEU . 76.1 mtm -62.3 -38.5 89.65 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 113.42 0.896 . . . . 74.23 113.42 -172.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.518 HD21 HD13 ' A' ' 80' ' ' LEU . 78.1 mt -52.97 -43.23 66.24 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.774 0.83 . . . . 51.34 110.874 177.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -81.55 -27.01 34.56 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 114.813 -1.085 . . . . 62.1 111.253 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.47 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 85.9 mt -71.05 -51.76 23.44 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.005 0.522 . . . . 64.14 110.399 176.143 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 70.7 mt -60.06 -32.19 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.443 1.097 . . . . 71.23 110.492 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.1 t -66.77 -43.89 82.83 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.591 -0.732 . . . . 71.23 111.07 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -16.33 57.79 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 117.725 0.239 . . . . 53.45 111.27 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 83.3 mt -70.66 -31.48 68.42 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 108.63 -0.878 . . . . 62.41 108.63 167.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.47 25.63 25.31 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.181 -0.918 . . . . 53.41 111.774 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.423 ' HB3' ' O ' ' A' ' 2' ' ' LYS . 21.2 m-30 -92.73 167.73 11.69 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 123.79 0.836 . . . . 64.25 111.042 175.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.52 ' HD3' HD22 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -81.08 118.99 22.98 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.244 -0.889 . . . . 64.23 109.404 177.362 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.6 t -101.04 128.56 53.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.341 0.656 . . . . 62.43 110.127 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -125.44 151.0 46.79 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 106.297 -1.742 . . . . 71.44 106.297 171.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.53 HD11 HD13 ' A' ' 64' ' ' LEU . 43.8 tp -139.32 148.06 42.43 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.462 0.705 . . . . 75.43 109.59 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.542 HD13 HG21 ' A' ' 116' ' ' ILE . 35.5 tp -139.84 134.8 32.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.258 -1.756 . . . . 73.5 106.258 174.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.35 142.12 39.69 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 120.937 0.399 . . . . 62.01 111.085 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.01 147.14 39.98 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.386 -0.824 . . . . 74.12 109.542 178.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -146.39 175.17 10.74 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 124.638 1.175 . . . . 70.31 108.829 173.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -78.12 -37.45 46.21 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.208 -0.905 . . . . 75.21 108.836 168.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -98.25 137.98 36.19 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.204 1.002 . . . . 72.01 110.122 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.416 ' HA ' HD12 ' A' ' 90' ' ' LEU . 2.3 tm-20 -88.88 -27.62 20.89 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.171 0.588 . . . . 63.24 110.888 -174.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -62.51 -36.03 81.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 122.003 -0.435 . . . . 73.11 110.493 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -64.18 -42.18 96.81 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.121 0.568 . . . . 73.2 110.386 174.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 87' ' ' GLU . 82.1 mt -61.3 -55.46 31.56 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.195 0.998 . . . . 43.25 112.337 -176.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -68.05 -34.88 77.3 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 123.716 0.635 . . . . 75.55 111.685 -172.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 1.4 pp20? -74.33 -38.33 63.31 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 110.406 -0.22 . . . . 74.4 110.406 -176.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.444 ' O ' HG12 ' A' ' 97' ' ' ILE . 10.9 t80 -71.68 -41.02 69.17 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.955 0.502 . . . . 74.42 110.177 176.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.585 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 19.4 ttpp -62.82 -43.06 99.8 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.199 0.599 . . . . 74.24 111.307 -177.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -68.16 -21.6 64.9 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 115.899 -0.591 . . . . 74.33 111.692 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 32.6 mmtp -65.71 -47.07 76.59 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.943 -0.762 . . . . 54.42 108.943 170.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 93' ' ' PHE . 24.6 mm -68.5 -32.6 56.0 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 CA-C-N 114.368 -1.287 . . . . 72.31 110.973 -174.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -53.74 -48.83 69.27 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.634 0.773 . . . . 70.21 110.557 168.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.1 m -67.08 -40.07 86.92 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.886 0.875 . . . . 72.35 111.299 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -69.86 -20.68 63.4 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.982 0.913 . . . . 63.55 111.785 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.05 32.15 7.26 Favored Glycine 0 C--N 1.342 0.887 0 N-CA-C 113.869 0.307 . . . . 61.24 113.869 172.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -121.45 130.77 53.77 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.357 0.663 . . . . 73.31 109.233 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.63 123.19 23.54 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 109.543 -0.54 . . . . 75.4 109.543 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.5 p -135.82 136.77 49.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.649 0.78 . . . . 64.52 111.346 -170.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -109.24 155.8 20.67 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 124.283 1.033 . . . . 74.01 110.142 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.585 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -136.31 127.72 28.48 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.072 -0.967 . . . . 63.13 109.397 -171.708 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.1 m -140.02 143.97 28.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.163 0.985 . . . . 63.32 109.478 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.8 m -102.59 -21.36 14.18 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.088 0.555 . . . . 64.13 109.591 168.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -90.15 143.11 27.07 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.639 0.776 . . . . 74.25 112.022 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -50.4 74.19 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.762 1.225 . . . . 64.1 110.544 169.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 11.4 pt-20 -56.7 -45.33 81.89 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 124.078 0.861 . . . . 54.1 111.026 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.475 ' O ' HG12 ' A' ' 116' ' ' ILE . 17.3 mm-40 -70.77 -30.2 66.62 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.344 0.658 . . . . 73.43 111.594 -176.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.57 89.98 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.961 0.504 . . . . 73.45 110.484 176.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.449 HD11 ' HE2' ' A' ' 17' ' ' LYS . 70.5 mt -66.83 -32.54 73.88 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.617 -0.72 . . . . 74.02 110.329 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 32.7 mmmt -63.62 -48.31 77.86 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 123.656 0.597 . . . . 63.0 110.431 175.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.542 HG21 HD13 ' A' ' 81' ' ' LEU . 50.9 mm -62.53 -35.08 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 C-N-CA 123.196 0.598 . . . . 75.44 111.567 -177.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 93.8 t -56.38 -45.86 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 122.866 0.466 . . . . 60.42 109.797 174.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -70.83 -38.93 73.26 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 123.77 0.828 . . . . 64.11 110.893 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 21.9 mm-40 -60.07 -37.31 79.52 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.923 0.889 . . . . 74.23 111.691 177.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.18 -33.93 76.54 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 123.426 0.454 . . . . 73.0 110.966 176.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.414 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 16.5 mmt -65.39 -34.46 78.36 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 112.205 0.446 . . . . 72.12 112.205 -174.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -88.91 -29.51 19.55 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.804 0.442 . . . . 54.14 110.694 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -63.72 -42.77 97.87 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.805 0.842 . . . . 64.21 110.003 173.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.437 ' HB1' ' HD3' ' A' ' 53' ' ' LYS . . . -77.07 -23.86 51.95 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.193 0.997 . . . . 64.44 110.839 -173.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -61.1 -19.45 56.95 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-N 116.083 -0.508 . . . . 64.42 112.719 170.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 56.9 p -123.69 11.45 9.13 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 123.77 0.828 . . . . 72.52 112.239 177.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.52 HD22 ' HD3' ' A' ' 77' ' ' LYS . 29.7 mt -85.06 30.7 0.58 Allowed 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 121.372 0.606 . . . . 61.23 110.847 174.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.12 -19.41 32.25 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.081 1.352 . . . . 73.24 111.856 167.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -60.8 85.64 0.01 OUTLIER 'General case' 0 C--N 1.361 1.108 0 C-N-CA 124.443 1.097 . . . . 72.13 110.427 177.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -80.28 154.91 27.55 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-N 114.269 -1.332 . . . . 74.23 108.422 172.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -69.51 143.35 53.48 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 109.256 -0.646 . . . . 64.41 109.256 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -70.91 100.28 1.92 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 121.315 0.579 . . . . 74.54 109.646 175.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -76.97 153.82 34.17 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.459 -0.791 . . . . 75.3 111.508 -173.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 76.1 t60 . . . . . 0 C--O 1.253 1.273 0 N-CA-C 107.612 -1.255 . . . . 73.01 107.612 173.079 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.5 mtm . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 110.216 -0.291 . . . . 74.54 110.216 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -136.57 158.65 43.95 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 107.754 -1.202 . . . . 34.42 107.754 171.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 2.9 mp0 -109.27 131.06 55.42 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.302 0.572 . . . . 52.02 110.19 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -120.5 111.88 18.25 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 107.414 -1.328 . . . . 71.21 107.414 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 tt -103.37 116.65 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.396 0.678 . . . . 41.15 109.252 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mp -102.69 121.93 43.42 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.811 -0.811 . . . . 74.4 108.811 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.544 HG21 HD13 ' A' ' 18' ' ' ILE . 2.8 mp -100.28 141.22 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 108.259 -1.015 . . . . 72.31 108.259 176.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.51 ' HB2' HD11 ' A' ' 64' ' ' LEU . 3.4 t-20 -113.58 106.82 14.99 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 123.723 0.809 . . . . 73.32 108.888 174.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.423 HG23 HG12 ' A' ' 15' ' ' ILE . 3.8 t -146.25 131.0 17.97 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 123.587 0.755 . . . . 71.34 109.894 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -94.49 -6.49 43.75 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.31 1.044 . . . . 73.24 109.923 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.477 ' O ' HG13 ' A' ' 15' ' ' ILE . 48.0 t-20 -82.11 113.43 19.96 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.437 1.095 . . . . 64.45 109.341 -176.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.36 -46.85 85.48 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.487 1.115 . . . . 75.54 111.088 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -63.46 -41.55 98.61 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 113.917 -1.492 . . . . 74.12 110.249 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' A' ' 110' ' ' ASP . 60.2 tp -69.81 -37.6 76.32 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 118.678 -0.677 . . . . 63.0 111.265 -177.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.494 HG22 ' HE3' ' A' ' 19' ' ' LYS . 65.8 mt -55.19 -42.38 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 N-CA-C 109.106 -0.701 . . . . 62.54 109.106 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -61.86 -46.68 88.35 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 124.164 0.915 . . . . 72.32 111.301 177.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.623 ' HE2' HD11 ' A' ' 114' ' ' LEU . 57.0 mtpt -60.05 -44.09 94.92 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.769 0.828 . . . . 74.32 111.139 -178.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.544 HD13 HG21 ' A' ' 7' ' ' ILE . 76.1 mt -60.38 -51.54 71.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 O-C-N 124.405 1.066 . . . . 71.34 108.841 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.684 ' HG2' HG11 ' A' ' 29' ' ' VAL . 89.5 mttt -52.64 -41.01 63.38 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 124.448 1.092 . . . . 74.3 111.327 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 20' ' ' LYS . 71.3 mmtt -68.03 -41.7 81.72 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 123.754 0.659 . . . . 74.42 111.269 -178.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 25.6 mm-40 -59.01 -42.98 91.43 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 123.83 0.706 . . . . 74.03 110.472 173.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 18' ' ' ILE . 67.0 t -73.48 -29.69 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 124.568 1.147 . . . . 72.02 111.249 -175.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -75.95 -27.91 57.73 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.513 0.725 . . . . 73.24 110.746 174.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -68.8 -23.51 64.29 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.056 0.542 . . . . 73.43 110.031 174.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.723 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 72.7 mm-40 -97.54 -29.12 13.64 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.206 1.003 . . . . 73.22 110.624 178.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.0 39.41 7.48 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 115.732 -0.667 . . . . 45.12 114.515 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.438 ' HB2' HG13 ' A' ' 22' ' ' VAL . 1.0 OUTLIER -97.51 170.03 9.32 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.257 0.623 . . . . 75.52 110.104 176.284 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -92.04 113.38 25.64 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.329 -0.989 . . . . 73.22 108.329 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.684 HG11 ' HG2' ' A' ' 19' ' ' LYS . 21.3 t -93.81 136.42 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 CA-C-N 118.143 0.429 . . . . 52.23 110.388 177.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -133.22 132.88 42.01 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 107.797 -1.186 . . . . 40.33 107.797 162.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -107.24 116.58 32.18 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 108.0 -1.111 . . . . 61.44 108.0 170.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.591 HG12 HD13 ' A' ' 63' ' ' LEU . 86.4 t -92.09 122.27 43.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 C-N-CA 124.511 1.124 . . . . 61.12 109.415 178.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -109.87 -14.69 14.24 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.748 0.819 . . . . 74.02 110.399 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -150.36 156.39 41.42 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.512 0.725 . . . . 75.21 110.887 -176.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.9 m -62.66 -24.23 67.51 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.142 0.977 . . . . 64.32 112.737 -177.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -76.29 -23.47 54.37 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.057 0.143 . . . . 74.3 110.676 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.52 -47.5 32.57 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.38 0.672 . . . . 74.35 110.889 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.536 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.4 pp -71.52 -33.55 69.29 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 112.375 0.509 . . . . 52.22 112.375 -173.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -65.48 -32.99 74.9 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.755 0.312 . . . . 75.32 110.447 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -67.65 -44.99 76.58 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 115.237 -0.892 . . . . 55.1 109.823 174.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 52.3 mm-40 -70.35 -34.34 72.52 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.732 0.641 . . . . 74.21 112.732 -175.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 36.6 mmt -65.39 -35.9 82.34 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 109.469 -0.567 . . . . 75.23 109.469 174.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 64.3 tttp -68.12 -43.33 78.64 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 115.558 -0.747 . . . . 63.23 110.111 174.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -55.43 -36.93 67.03 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 124.507 1.123 . . . . 64.11 111.191 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 66.8 mt -67.72 -44.6 77.25 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.359 -0.837 . . . . 74.31 109.756 176.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.81 -22.92 63.26 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.148 0.979 . . . . 65.23 112.092 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 14.1 mm-40 -77.73 -54.99 5.72 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 108.437 -0.949 . . . . 63.35 108.437 174.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -114.56 105.79 13.5 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 114.528 -1.214 . . . . 70.32 110.629 -170.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -101.81 -4.04 27.0 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.786 0.834 . . . . 73.54 109.094 170.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -87.01 29.05 0.85 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.586 1.555 . . . . 70.32 112.504 -172.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -147.33 176.66 9.83 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.293 0.637 . . . . 74.22 109.867 172.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -77.77 -179.83 6.2 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.193 0.997 . . . . 62.22 112.681 -173.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 14.1 ptpt -66.59 153.55 42.75 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.018 1.327 . . . . 54.13 112.694 -174.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.0 mp -122.48 143.1 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.873 0.869 . . . . 75.5 109.514 -169.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 tt -108.65 121.86 45.9 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.456 1.103 . . . . 65.14 109.699 175.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.4 mm -106.05 145.98 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.003 0 C-N-CA 124.196 0.998 . . . . 71.12 109.289 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 61.8 mt -126.33 149.26 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 107.134 -1.432 . . . . 73.12 107.134 170.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.4 t -155.52 151.04 27.18 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.447 0.699 . . . . 71.45 109.41 174.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -87.82 -38.31 15.81 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.318 0.647 . . . . 74.15 109.752 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -95.39 143.78 26.46 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.088 0.955 . . . . 73.13 110.486 -176.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 89' ' ' GLU . 61.8 mttp -86.28 -23.47 26.32 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.938 0.895 . . . . 61.52 112.27 -174.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -77.4 -23.18 50.73 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.321 0.248 . . . . 71.32 110.531 178.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.591 HD13 HG12 ' A' ' 32' ' ' VAL . 74.2 mt -67.79 -44.25 77.81 Favored 'General case' 0 C--O 1.253 1.284 0 N-CA-C 109.387 -0.598 . . . . 75.33 109.387 170.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.561 HD13 HD11 ' A' ' 80' ' ' LEU . 87.1 mt -55.26 -49.66 71.48 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 114.473 -1.24 . . . . 61.22 109.575 175.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -48.1 -53.12 17.63 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.456 1.098 . . . . 74.11 110.761 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -53.54 -53.79 46.63 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 124.511 1.132 . . . . 73.33 111.215 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 77.5 mtm -64.3 -47.41 79.58 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.583 -0.735 . . . . 65.34 112.161 -175.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 73.0 mt -52.25 -40.03 61.16 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 124.486 1.114 . . . . 71.52 111.319 -178.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -73.55 -47.72 38.51 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.053 -0.976 . . . . 50.13 110.909 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.66 -48.71 76.13 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 123.619 0.574 . . . . 71.45 112.072 -175.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 96.3 mt -54.54 -35.92 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 125.313 1.445 . . . . 72.24 111.588 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.6 t -59.05 -50.57 73.56 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.971 0.908 . . . . 71.14 111.463 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.456 ' HD2' ' H ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -86.05 -7.23 58.76 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 111.652 0.241 . . . . 72.32 111.652 179.102 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.0 mt -72.42 -24.49 61.24 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 108.917 -0.771 . . . . 73.45 108.917 166.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.4 39.94 3.82 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 111.37 -0.692 . . . . 54.13 111.37 171.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.406 ' HE2' ' HB3' ' A' ' 45' ' ' LEU . 17.2 m-85 -123.63 152.03 42.39 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.932 0.893 . . . . 63.53 109.693 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -67.54 119.52 12.46 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 123.919 0.762 . . . . 73.34 110.002 171.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.2 t -92.13 110.17 22.41 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 C-N-CA 123.576 0.75 . . . . 61.44 109.537 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -112.18 144.22 41.94 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 108.174 -1.047 . . . . 72.42 108.174 173.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.561 HD11 HD13 ' A' ' 64' ' ' LEU . 51.9 tp -137.05 146.97 45.84 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.351 -0.981 . . . . 73.13 108.351 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.0 tp -144.86 120.88 10.72 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.346 -1.724 . . . . 73.55 106.346 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -123.54 134.98 53.78 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.453 0.645 . . . . 74.43 110.501 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -130.8 144.19 51.28 Favored 'General case' 0 C--O 1.238 0.447 0 CA-C-N 114.864 -1.062 . . . . 72.41 108.37 176.262 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -165.87 163.5 18.63 Favored 'General case' 0 C--O 1.247 0.924 0 N-CA-C 108.331 -0.988 . . . . 74.31 108.331 174.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -71.34 -38.15 71.65 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.641 -0.503 . . . . 43.44 109.641 174.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -86.16 126.49 34.27 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.358 1.063 . . . . 54.02 109.284 175.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -91.36 -8.16 48.81 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 111.911 0.337 . . . . 75.11 111.911 -176.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -71.53 -39.09 70.96 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 118.902 0.774 . . . . 71.21 109.703 174.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.422 ' HB3' ' HE2' ' A' ' 61' ' ' LYS . 56.5 mm-40 -57.65 -37.36 73.22 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.23 1.012 . . . . 74.44 110.719 173.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 66.8 mt -78.1 -54.91 5.73 Favored 'General case' 0 C--O 1.209 -1.049 0 CA-C-N 115.522 -0.763 . . . . 75.12 111.351 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -67.8 -47.91 67.75 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.617 1.167 . . . . 65.21 111.244 -168.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 53.6 mt-10 -63.43 -48.18 78.82 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 123.669 0.606 . . . . 72.03 110.745 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.427 ' O ' HG12 ' A' ' 97' ' ' ILE . 58.8 t80 -67.13 -39.45 86.6 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 123.565 0.54 . . . . 71.2 110.18 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -58.73 -54.67 44.42 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.262 1.025 . . . . 60.4 111.327 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.455 ' NH2' ' HG2' ' A' ' 92' ' ' GLU . 22.6 ptt180 -65.38 -21.82 66.72 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 123.802 0.688 . . . . 75.23 111.702 -174.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 11.3 mmpt? -69.68 -49.07 57.11 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 109.795 -0.446 . . . . 64.4 109.795 170.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 93' ' ' PHE . 50.3 mm -65.34 -33.91 66.9 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.277 0 C-N-CA 123.778 0.831 . . . . 75.43 111.277 -177.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -62.83 -39.74 95.28 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.831 0.853 . . . . 65.41 110.726 172.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.8 t -68.16 -37.17 80.73 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.289 0.635 . . . . 55.34 110.568 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.409 ' NE2' HD13 ' A' ' 97' ' ' ILE . 32.8 mt-30 -69.45 -19.11 63.77 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.009 0.924 . . . . 73.22 111.541 175.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 98.44 1.92 57.79 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-O 119.556 -0.58 . . . . 65.33 114.059 173.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -86.32 144.59 27.3 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.024 0.53 . . . . 72.41 109.812 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.79 123.51 22.79 Favored 'General case' 0 C--N 1.344 0.367 0 N-CA-C 109.117 -0.697 . . . . 71.34 109.117 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 p -138.12 129.28 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.561 0.744 . . . . 50.21 110.127 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -113.67 143.12 45.12 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.922 -0.769 . . . . 73.15 108.922 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.515 ' HA ' HD12 ' A' ' 82' ' ' LEU . 21.5 ptmt -113.88 143.71 44.23 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.204 0.602 . . . . 63.24 110.178 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 83' ' ' GLN . 6.7 m -152.57 130.18 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.835 1.254 . . . . 65.35 109.468 177.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.4 m -79.75 -33.08 41.01 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.47 0.652 . . . . 75.12 109.716 172.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -88.38 143.15 27.18 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.324 -0.853 . . . . 74.04 111.106 -174.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.472 ' HB2' HD13 ' A' ' 14' ' ' LEU . 6.1 p-10 -76.33 -31.6 58.23 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.155 0.982 . . . . 64.43 109.255 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -54.04 -52.3 61.31 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.394 1.878 . . . . 63.43 110.73 168.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -72.08 -24.14 61.45 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.48 -0.782 . . . . 73.13 111.954 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.434 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -66.61 -45.17 80.03 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.823 0.449 . . . . 72.34 110.111 174.117 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.623 HD11 ' HE2' ' A' ' 17' ' ' LYS . 95.6 mt -61.39 -37.24 82.72 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 123.769 0.668 . . . . 72.43 110.257 175.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -62.07 -53.53 54.18 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 124.127 0.892 . . . . 74.31 110.75 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 18.7 mt -69.92 -25.77 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.072 0.549 . . . . 75.15 112.333 -173.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.456 ' O ' ' HG3' ' A' ' 121' ' ' MET . 60.7 t -55.22 -44.88 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 109.653 -0.499 . . . . 65.23 109.653 167.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -75.61 -43.97 45.29 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 124.301 1.04 . . . . 72.04 111.308 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -54.27 -40.29 67.67 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.206 1.002 . . . . 65.22 111.058 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -57.25 -50.84 71.62 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.895 0.878 . . . . 73.2 110.836 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.723 ' SD ' ' HG3' ' A' ' 25' ' ' GLN . 59.1 mtt -65.09 -34.41 78.35 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.276 -0.875 . . . . 71.43 112.002 -168.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -81.18 -42.04 21.44 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 123.449 0.468 . . . . 63.21 110.935 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -74.84 -56.48 4.73 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.51 0.724 . . . . 63.44 111.441 -170.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.57 -35.82 81.95 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.22 0.608 . . . . 73.15 110.234 175.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -63.55 -27.82 71.5 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-N 115.279 -0.873 . . . . 72.43 113.784 176.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.8 m -70.68 -62.94 1.2 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.827 0.451 . . . . 71.03 110.502 173.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 44.4 tp 60.62 20.03 9.95 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 122.389 1.09 . . . . 54.31 111.113 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.09 -35.9 41.6 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.709 0.804 . . . . 75.43 111.351 -176.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 75.64 -59.58 0.52 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.545 1.538 . . . . 71.01 112.287 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -63.77 -8.51 10.81 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 115.332 1.605 . . . . 43.11 115.332 -165.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -69.23 -47.86 63.54 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 118.505 0.593 . . . . 75.11 110.889 171.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 176.51 163.16 0.41 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.596 1.558 . . . . 64.21 108.479 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -174.22 -175.35 0.99 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.789 0.836 . . . . 61.4 109.878 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 . . . . . 0 N--CA 1.481 1.094 0 C-N-CA 124.004 0.922 . . . . 72.2 110.072 172.486 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 109.898 -0.408 . . . . 51.42 109.898 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -103.92 123.24 46.8 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 108.822 -0.807 . . . . 65.22 108.822 169.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.522 ' HG3' ' HB3' ' A' ' 77' ' ' LYS . 3.2 mp0 -91.63 120.69 32.63 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.548 -0.908 . . . . 75.43 108.548 176.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.575 HD11 HD13 ' A' ' 45' ' ' LEU . 4.2 mm? -100.51 112.44 24.81 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 107.951 -1.129 . . . . 71.31 107.951 -177.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.427 ' HA ' ' HB3' ' A' ' 79' ' ' PHE . 5.1 tt -106.11 115.97 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.788 0.835 . . . . 74.03 109.258 -177.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mp -102.53 121.02 41.53 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.194 0.998 . . . . 63.24 108.352 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.503 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 2.8 mp -100.46 132.46 46.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 109.316 -0.624 . . . . 34.13 109.316 177.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.448 ' HB3' ' HA ' ' A' ' 82' ' ' LEU . 58.7 t30 -99.08 113.12 25.16 Favored 'General case' 0 C--N 1.346 0.418 0 N-CA-C 107.404 -1.332 . . . . 73.45 107.404 168.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.649 HG23 HG12 ' A' ' 15' ' ' ILE . 2.5 t -148.37 117.71 6.92 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 109.302 -0.629 . . . . 64.3 109.302 169.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.68 -0.79 57.59 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.898 -0.592 . . . . 74.43 110.204 170.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -84.7 97.88 9.91 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.917 -1.142 . . . . 75.04 107.917 173.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -51.6 -38.57 55.17 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.444 1.498 . . . . 73.34 112.462 -176.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -60.09 -47.66 84.95 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 124.914 1.384 . . . . 74.13 110.127 -177.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' O ' HG13 ' A' ' 18' ' ' ILE . 52.8 tp -67.3 -38.5 85.11 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.771 -1.104 . . . . 73.14 111.142 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.649 HG12 HG23 ' A' ' 9' ' ' THR . 58.9 mt -52.85 -45.42 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 C-N-CA 122.911 0.484 . . . . 61.5 110.271 178.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -62.12 -42.43 99.23 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.208 -0.905 . . . . 31.13 111.045 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 58.2 mtpt -65.6 -46.0 81.03 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.242 -0.89 . . . . 75.54 110.886 -178.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.561 ' O ' HG23 ' A' ' 22' ' ' VAL . 74.9 mt -57.51 -46.32 86.01 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 C-N-CA 123.833 0.853 . . . . 71.31 109.873 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.616 ' HG2' HG11 ' A' ' 29' ' ' VAL . 85.4 mttt -51.55 -50.88 59.2 Favored 'General case' 0 N--CA 1.483 1.21 0 O-C-N 124.016 0.823 . . . . 61.21 111.447 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -66.42 -35.31 79.99 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 123.953 0.783 . . . . 74.22 111.808 -177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 36.1 mm-40 -57.45 -50.52 72.75 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 123.752 0.658 . . . . 75.52 109.797 174.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.569 HG21 HD22 ' A' ' 55' ' ' LEU . 54.6 t -71.45 -27.66 29.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 C-N-CA 125.184 1.394 . . . . 63.11 111.527 -174.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -71.6 -33.09 68.7 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.487 0.715 . . . . 62.13 110.78 175.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -83.92 -15.16 48.99 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 122.616 0.366 . . . . 52.03 110.864 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 84.2 mm-40 -83.28 -22.77 32.89 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.174 0.59 . . . . 74.55 109.822 168.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.94 4.54 67.02 Favored Glycine 0 C--N 1.352 1.47 0 N-CA-C 114.46 0.544 . . . . 62.34 114.46 175.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.43 ' CE2' ' SD ' ' A' ' 121' ' ' MET . 1.2 m-85 -85.64 166.81 15.89 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.478 0.711 . . . . 73.12 110.47 -178.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.6 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 70.7 mt-30 -89.23 143.6 26.72 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.986 0.914 . . . . 74.12 109.9 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.616 HG11 ' HG2' ' A' ' 19' ' ' LYS . 20.1 t -121.26 121.78 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 C-N-CA 123.043 0.537 . . . . 75.4 110.408 -178.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.6 ' NH1' ' HB3' ' A' ' 28' ' ' GLN . 10.0 mpt_? -122.73 108.57 13.2 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 109.003 -0.739 . . . . 64.13 109.003 168.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -93.1 122.68 35.71 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.584 -0.895 . . . . 74.02 108.584 173.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.534 HG11 ' HB3' ' A' ' 38' ' ' LEU . 96.6 t -99.09 118.76 46.15 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 C-N-CA 123.459 0.704 . . . . 71.13 109.115 -177.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -111.65 -19.83 12.35 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.509 1.524 . . . . 72.45 109.431 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -137.25 147.82 46.02 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.658 1.183 . . . . 74.14 109.253 -174.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.8 m -64.13 -21.05 66.39 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.929 0.892 . . . . 73.2 112.969 -173.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -76.58 -31.45 57.53 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.048 0.539 . . . . 75.24 110.135 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.9 -30.37 68.84 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.47 0.708 . . . . 61.13 111.995 -177.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.534 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.0 pp -78.55 -42.23 29.86 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 117.762 0.255 . . . . 73.33 110.697 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -73.8 -31.76 63.41 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.811 0.444 . . . . 55.51 111.516 -172.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.432 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 22.2 ptmt -67.14 -35.19 79.18 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 123.35 0.406 . . . . 64.43 109.906 175.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 61.4 mm-40 -77.45 -33.24 54.81 Favored 'General case' 0 C--O 1.21 -0.998 0 CA-C-N 115.914 -0.585 . . . . 74.11 111.18 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.498 ' HG3' HD13 ' A' ' 70' ' ' LEU . 35.7 mmt -60.61 -33.43 72.74 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 118.437 0.562 . . . . 74.24 110.446 174.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.61 -50.74 63.95 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.683 0.793 . . . . 64.31 110.921 173.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 14.0 mmmm -60.55 -47.7 85.03 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.666 0.786 . . . . 64.4 111.319 -177.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.575 HD13 HD11 ' A' ' 4' ' ' LEU . 54.9 mt -74.53 -30.99 61.99 Favored 'General case' 0 C--O 1.219 -0.52 0 C-N-CA 123.58 0.752 . . . . 60.53 111.026 -173.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.19 -55.99 17.87 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.384 0.673 . . . . 73.31 110.811 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -73.17 -43.34 61.62 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.55 -1.205 . . . . 54.23 111.709 -170.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -82.42 118.48 23.24 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 108.732 -0.84 . . . . 70.42 108.732 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -105.62 -66.89 0.95 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 120.68 0.276 . . . . 72.32 111.631 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -76.96 94.06 3.9 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.325 0.65 . . . . 75.44 110.476 -174.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -172.75 -177.48 1.68 Allowed 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 125.067 1.347 . . . . 75.31 109.333 171.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.61 153.79 40.6 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 120.915 0.388 . . . . 72.34 111.877 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -81.66 149.76 28.38 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.578 -0.737 . . . . 71.43 110.564 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 54' ' ' ILE . 3.4 mp -112.23 132.35 61.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 115.013 -0.994 . . . . 64.14 109.684 -163.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.569 HD22 HG21 ' A' ' 22' ' ' VAL . 4.0 tt -91.68 115.12 27.79 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.324 -0.853 . . . . 63.15 108.879 172.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.7 mm -98.04 138.71 21.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 124.092 0.957 . . . . 74.23 108.465 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 56.3 mt -117.09 154.99 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 N-CA-C 107.179 -1.415 . . . . 61.13 107.179 165.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.3 t -156.02 145.79 21.16 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.206 -1.035 . . . . 63.45 108.206 167.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -105.24 23.75 13.19 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 124.001 0.92 . . . . 60.24 110.843 -175.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.426 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 20.9 t70 -145.12 136.84 25.47 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 123.011 0.524 . . . . 74.15 110.369 176.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' A' ' 64' ' ' LEU . 49.9 mtpt -71.08 -33.88 70.63 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.25 1.02 . . . . 74.32 111.527 -172.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -75.34 -33.31 61.1 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.709 0.404 . . . . 71.31 110.81 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.517 HD13 HG12 ' A' ' 32' ' ' VAL . 53.8 mt -65.66 -44.21 87.01 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 109.418 -0.586 . . . . 70.13 109.418 178.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.459 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 37.1 mt -58.94 -51.54 69.59 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 114.604 -1.18 . . . . 74.04 110.978 174.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -56.29 -41.92 76.68 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.585 1.154 . . . . 71.02 111.505 -174.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -61.23 -53.4 57.34 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 123.695 0.622 . . . . 53.3 111.174 172.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.492 ' SD ' ' HB2' ' A' ' 38' ' ' LEU . 76.7 mtm -62.37 -30.7 71.38 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.86 0.689 . . . . 72.43 112.86 -176.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.499 HD11 HD22 ' A' ' 80' ' ' LEU . 80.4 mt -60.55 -43.22 97.47 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.001 0.52 . . . . 73.03 110.751 177.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -81.28 -29.98 34.14 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.225 -0.898 . . . . 62.14 111.39 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.498 HD13 ' HG3' ' A' ' 42' ' ' MET . 90.7 mt -67.85 -54.67 17.11 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.042 0.537 . . . . 70.13 109.99 176.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.446 HG22 HG22 ' A' ' 78' ' ' VAL . 98.1 mt -59.94 -30.1 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 124.555 1.142 . . . . 71.4 111.399 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.9 t -66.4 -40.55 89.7 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.123 0.569 . . . . 72.43 111.237 175.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -16.1 40.58 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 119.569 -0.253 . . . . 73.41 111.365 177.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 51.4 mt -71.42 -34.99 70.81 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 108.856 -0.794 . . . . 72.35 108.856 170.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.78 67.18 0.98 Allowed Glycine 0 C--N 1.346 1.129 0 CA-C-N 115.53 -0.759 . . . . 71.52 111.751 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -141.17 151.98 44.29 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.443 1.097 . . . . 64.01 109.677 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.522 ' HB3' ' HG3' ' A' ' 3' ' ' GLU . 49.9 tptt -70.05 108.73 4.2 Favored 'General case' 0 C--N 1.352 0.678 0 N-CA-C 108.586 -0.894 . . . . 75.41 108.586 175.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 71' ' ' ILE . 39.2 t -89.15 130.25 38.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 123.685 0.794 . . . . 75.1 109.59 -172.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.427 ' HB3' ' HA ' ' A' ' 5' ' ' ILE . 21.3 t80 -128.32 145.3 51.11 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 106.913 -1.514 . . . . 75.13 106.913 177.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.499 HD22 HD11 ' A' ' 68' ' ' LEU . 56.8 tp -139.51 102.05 4.37 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 108.995 -0.743 . . . . 44.54 108.995 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.503 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 46.2 tp -92.59 111.55 23.18 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 107.358 -1.349 . . . . 65.34 107.358 171.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.448 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 3.8 pp -111.27 144.38 40.53 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.33 0.513 . . . . 73.45 110.866 -176.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -156.04 150.39 25.67 Favored 'General case' 0 C--O 1.244 0.763 0 C-N-CA 124.051 0.94 . . . . 65.13 109.622 -176.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.406 ' H ' HD11 ' A' ' 90' ' ' LEU . 7.6 t70 -164.45 172.53 13.24 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-N 114.834 -1.076 . . . . 74.13 108.263 172.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -78.96 -15.75 57.86 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.28 0.632 . . . . 64.31 110.655 173.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -101.21 142.15 33.06 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.486 1.114 . . . . 73.42 109.701 173.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -90.38 -37.44 13.99 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.542 0.737 . . . . 75.03 111.848 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -57.11 -44.57 83.37 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.394 0.678 . . . . 73.33 111.891 -170.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -63.46 -37.4 87.15 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 115.327 -0.851 . . . . 72.13 111.59 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.406 HD11 ' H ' ' A' ' 84' ' ' ASP . 70.1 mt -72.06 -53.76 11.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.759 0.824 . . . . 75.12 111.999 -173.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.8 -42.45 99.02 Favored 'General case' 0 C--O 1.247 0.948 0 C-N-CA 123.577 0.751 . . . . 74.13 111.792 -174.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 1.7 pp20? -74.99 -32.11 61.58 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 123.823 0.702 . . . . 74.15 110.599 -177.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.541 ' O ' HG12 ' A' ' 97' ' ' ILE . 6.0 t80 -69.19 -49.28 58.05 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.401 -0.592 . . . . 72.04 109.401 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.425 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 20.8 ttpt -55.88 -51.92 65.87 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.157 0.983 . . . . 73.11 111.92 -176.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -59.74 -28.5 67.41 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 123.806 0.691 . . . . 63.5 112.435 -175.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 30.7 mmtp -69.86 -51.32 34.38 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.451 -0.574 . . . . 63.1 109.451 175.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 93' ' ' PHE . 34.7 mm -68.09 -28.87 42.62 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.421 0 CA-C-N 114.564 -1.198 . . . . 65.13 111.487 -171.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -61.44 -46.75 88.78 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 123.584 0.754 . . . . 72.12 110.636 169.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.0 t -72.44 -17.95 61.74 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.292 -0.867 . . . . 71.31 111.185 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -90.3 1.61 56.36 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.335 1.054 . . . . 70.43 111.512 175.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 73.91 31.4 60.1 Favored Glycine 0 C--N 1.35 1.355 0 N-CA-C 114.156 0.422 . . . . 65.0 114.156 171.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.525 ' HB2' HG22 ' A' ' 97' ' ' ILE . 38.7 m-85 -110.89 139.58 46.1 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 108.725 -0.842 . . . . 75.22 108.725 174.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -73.36 88.59 1.57 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.077 0.551 . . . . 71.55 109.915 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.0 p -109.19 136.22 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.614 0.766 . . . . 62.43 110.721 -173.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -123.55 146.1 48.38 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.695 1.198 . . . . 70.2 108.928 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.425 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 28.5 ttpp -114.56 129.8 56.7 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.391 0.676 . . . . 64.11 110.532 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.9 m -135.34 133.52 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 108.615 -0.883 . . . . 74.32 108.615 173.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.3 m -97.41 -0.37 46.39 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 121.528 0.68 . . . . 62.52 110.063 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -125.3 150.52 47.04 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.494 0.717 . . . . 64.14 111.017 -171.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -57.86 -55.28 36.95 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.418 1.487 . . . . 50.25 111.393 173.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.48 -38.76 92.15 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.786 0.834 . . . . 71.25 111.781 -174.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -65.28 -31.24 72.29 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.465 0.706 . . . . 43.3 110.908 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.72 70.33 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.342 0.657 . . . . 41.12 110.626 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.427 HD22 ' HG3' ' A' ' 21' ' ' GLU . 89.5 mt -61.64 -33.34 73.78 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.457 0.703 . . . . 55.42 110.821 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -62.58 -57.51 10.85 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 123.698 0.624 . . . . 73.12 111.116 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 56.0 mt -64.98 -28.64 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 123.047 0.539 . . . . 62.01 111.81 -174.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 50.1 t -58.76 -48.78 85.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 C-N-CA 123.436 0.695 . . . . 63.14 110.977 171.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -76.41 -44.73 34.74 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.706 0.802 . . . . 73.31 111.377 -175.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.58 -26.21 68.31 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.816 0.847 . . . . 73.12 112.06 175.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -57.9 -42.02 83.84 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.914 0.486 . . . . 74.22 110.356 173.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.43 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 11.9 mmt -59.62 -23.33 62.91 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 124.033 0.833 . . . . 73.01 112.571 -172.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -100.43 -36.11 9.33 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.358 0.663 . . . . 72.25 111.116 173.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -76.44 -25.9 54.89 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 125.153 1.381 . . . . 73.23 112.808 -170.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.41 -54.74 41.99 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 124.521 1.128 . . . . 75.22 111.671 -169.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -84.13 70.35 3.17 Favored Glycine 0 C--N 1.35 1.356 0 N-CA-C 110.989 -0.845 . . . . 72.01 110.989 174.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.1 p -76.9 172.06 13.76 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.344 1.057 . . . . 73.43 110.945 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.0 mt -81.28 79.04 8.0 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 112.489 0.552 . . . . 74.32 112.489 -169.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 43.14 -86.5 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 126.974 2.11 . . . . 73.31 114.42 174.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -84.25 114.32 21.74 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.416 0.686 . . . . 75.11 110.207 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -157.0 79.44 0.91 Allowed 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.827 0.822 . . . . 73.3 109.209 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -144.13 152.25 40.68 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.95 0.9 . . . . 63.55 110.313 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -93.19 33.07 1.23 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 124.416 1.087 . . . . 75.32 109.379 174.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -134.91 123.96 24.23 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.232 1.413 . . . . 72.43 109.053 -170.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 C--O 1.253 1.238 0 O-C-N 123.85 0.719 . . . . 74.41 109.353 174.416 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 109.421 -0.585 . . . . 64.31 109.421 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -92.27 133.84 35.45 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.778 0.799 . . . . 70.13 110.725 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.54 ' HG3' ' HD2' ' A' ' 77' ' ' LYS . 2.0 mp0 -113.46 133.27 55.3 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-N 113.382 -1.735 . . . . 73.12 108.756 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.84 111.73 20.11 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 107.632 -1.248 . . . . 73.44 107.632 173.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.467 HG23 ' HG ' ' A' ' 55' ' ' LEU . 3.8 tt -108.04 128.57 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 123.901 0.88 . . . . 75.04 108.798 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -112.57 120.21 40.8 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 107.913 -1.143 . . . . 62.54 107.913 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.524 HG21 HD13 ' A' ' 18' ' ' ILE . 3.1 mp -99.37 141.48 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 N-CA-C 108.057 -1.09 . . . . 65.31 108.057 176.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.589 ' HB2' HD11 ' A' ' 64' ' ' LEU . 14.8 t30 -121.47 112.6 18.72 Favored 'General case' 0 C--N 1.345 0.413 0 C-N-CA 122.948 0.499 . . . . 73.15 110.063 173.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.406 HG23 HG12 ' A' ' 15' ' ' ILE . 6.5 t -146.53 124.05 11.73 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 108.128 -1.064 . . . . 44.41 108.128 165.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -79.85 -18.04 51.76 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 122.704 0.402 . . . . 73.24 110.06 174.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -67.47 102.44 1.13 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.166 -1.05 . . . . 70.21 108.166 175.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -58.68 -35.24 72.29 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.755 1.222 . . . . 52.33 112.265 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -72.7 -37.14 67.93 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.277 -0.874 . . . . 61.15 110.586 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 110' ' ' ASP . 41.3 tp -71.53 -31.23 66.81 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.896 0.478 . . . . 72.1 110.965 177.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.499 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 65.2 mt -52.24 -45.16 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 N-CA-C 109.424 -0.584 . . . . 62.55 109.424 173.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -60.6 -41.9 95.7 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.582 1.153 . . . . 74.14 111.866 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HE2' HD11 ' A' ' 114' ' ' LEU . 57.2 mtpt -66.18 -40.38 90.42 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.666 0.786 . . . . 75.24 110.887 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 22' ' ' VAL . 60.6 mt -65.92 -40.49 87.61 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 CA-C-N 115.482 -0.781 . . . . 71.03 108.975 176.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 83.5 mttt -56.31 -51.61 67.57 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.615 0.766 . . . . 70.22 111.435 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -32.02 73.11 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.329 0.393 . . . . 74.41 111.345 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.535 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 61.6 mm-40 -62.15 -40.64 96.64 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.589 0.355 . . . . 71.54 111.355 172.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 18' ' ' ILE . 57.9 t -67.08 -31.36 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.888 0.875 . . . . 40.14 110.917 177.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.47 -29.73 61.57 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.566 0.746 . . . . 74.15 110.643 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -67.1 -30.74 70.84 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.048 0.539 . . . . 71.3 110.048 172.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 62.9 mm-40 -84.85 -27.58 26.63 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.435 0.694 . . . . 72.0 110.063 177.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.79 33.49 15.62 Favored Glycine 0 C--N 1.356 1.677 0 C-N-CA 123.692 0.663 . . . . 70.52 114.063 176.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.441 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 2.3 m-85 -99.5 165.68 11.52 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.815 0.846 . . . . 74.42 110.189 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.503 ' HB2' HG23 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -77.03 112.99 14.26 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 107.718 -1.215 . . . . 64.52 107.718 178.801 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.76 101.17 6.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 O-C-N 123.777 0.673 . . . . 72.04 109.42 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -116.81 109.17 16.76 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.217 0.607 . . . . 73.32 109.395 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -101.74 116.42 32.7 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 108.556 -0.905 . . . . 74.35 108.556 173.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.606 HG12 HD13 ' A' ' 63' ' ' LEU . 84.2 t -90.0 119.78 37.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 C-N-CA 123.962 0.905 . . . . 74.32 108.798 175.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -116.67 -7.62 11.53 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.24 1.016 . . . . 65.4 109.373 175.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -131.13 143.4 50.61 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.44 1.096 . . . . 51.44 109.856 -172.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.7 m -70.58 -24.4 62.76 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.797 0.839 . . . . 74.04 112.937 -173.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.514 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 17.4 t70 -80.99 -31.02 34.87 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.805 -0.443 . . . . 73.54 109.805 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -54.18 -50.08 67.84 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.846 0.459 . . . . 70.11 111.924 175.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.574 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.2 pp -62.5 -40.91 98.25 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.541 0.526 . . . . 73.02 111.541 -173.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.514 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 17.6 ptpt -66.61 -34.51 78.05 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 110.483 -0.192 . . . . 61.51 110.483 -175.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -61.4 -49.1 78.26 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.161 0.984 . . . . 75.32 111.183 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 5.7 pt-20 -82.81 -26.68 31.52 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.387 -0.824 . . . . 74.45 112.119 -173.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 37.3 mmt -62.73 -39.2 93.33 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.262 0.553 . . . . 71.12 109.956 171.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.54 -43.64 69.15 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.119 -0.946 . . . . 70.4 110.44 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 41' ' ' GLU . 41.1 mmtm -54.04 -34.07 59.01 Favored 'General case' 0 N--CA 1.501 2.085 0 C-N-CA 124.163 0.985 . . . . 53.43 112.225 177.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 96.2 mt -57.33 -48.7 78.3 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.751 0.821 . . . . 74.3 111.082 174.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.02 -17.24 33.42 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.166 0.986 . . . . 74.22 112.223 -176.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -74.67 -52.83 10.58 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.99 0.516 . . . . 74.52 109.833 177.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -81.57 138.15 35.43 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 109.188 -0.671 . . . . 74.11 109.188 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -77.67 -50.79 11.74 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.754 0.822 . . . . 62.03 111.296 -173.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -141.27 121.21 13.61 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.897 0.479 . . . . 74.02 110.647 -173.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.419 ' CE2' HD11 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -169.22 163.56 10.92 Favored 'General case' 0 C--O 1.25 1.123 0 C-N-CA 124.907 1.283 . . . . 74.23 108.493 175.353 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.4 160.74 26.76 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.726 0.81 . . . . 63.12 111.76 -175.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.435 ' HE3' ' OH ' ' A' ' 27' ' ' TYR . 42.2 pttt -71.82 148.79 45.89 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 114.727 -1.124 . . . . 74.45 111.954 -177.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.503 HG23 ' HB2' ' A' ' 28' ' ' GLN . 2.7 mp -112.08 146.91 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.713 1.205 . . . . 55.33 108.49 -172.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.526 HD22 HG21 ' A' ' 22' ' ' VAL . 9.4 tt -109.18 122.25 46.9 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 108.964 -0.754 . . . . 73.3 108.964 175.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.7 mm -104.94 130.25 56.3 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 124.475 1.11 . . . . 60.23 109.453 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.407 HG21 HG23 ' A' ' 15' ' ' ILE . 51.7 mt -111.33 153.12 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 106.909 -1.515 . . . . 72.2 106.909 167.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.8 t -150.43 144.81 25.66 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 109.327 -0.62 . . . . 64.41 109.327 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -96.94 1.74 50.75 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.377 1.071 . . . . 71.11 110.851 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -136.01 141.69 44.38 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.859 0.864 . . . . 71.33 110.943 -177.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.74 -21.73 25.0 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.099 0.96 . . . . 63.55 113.215 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -67.91 -35.57 78.69 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 109.796 -0.446 . . . . 61.1 109.796 176.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.606 HD13 HG12 ' A' ' 32' ' ' VAL . 57.4 mt -64.41 -44.61 90.7 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 123.628 0.771 . . . . 72.21 110.134 177.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.589 HD11 ' HB2' ' A' ' 8' ' ' ASN . 78.9 mt -57.26 -50.29 73.35 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 114.693 -1.14 . . . . 70.43 110.241 177.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -62.64 -40.91 98.51 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 124.459 1.1 . . . . 71.33 110.953 -166.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -60.62 -53.88 52.05 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.432 -0.804 . . . . 73.01 111.267 170.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.429 ' SD ' ' HB2' ' A' ' 38' ' ' LEU . 75.9 mtm -63.9 -30.87 71.91 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.001 0.741 . . . . 72.41 113.001 -173.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 88.9 mt -58.58 -35.67 72.77 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.359 0.663 . . . . 71.31 111.124 176.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -83.04 -36.44 24.96 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.121 0.968 . . . . 71.54 111.136 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.2 -52.88 52.06 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.827 0.851 . . . . 72.32 111.325 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 71.8 mt -64.35 -30.54 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 124.153 0.981 . . . . 75.41 110.685 178.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.2 t -68.75 -42.74 77.12 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.513 0.725 . . . . 63.24 110.955 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -22.33 53.06 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.092 0.157 . . . . 64.43 111.169 178.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.0 mt -71.33 -29.78 65.42 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.408 0.683 . . . . 74.11 109.606 170.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.05 10.38 56.24 Favored Glycine 0 C--N 1.345 1.081 0 CA-C-N 115.234 -0.894 . . . . 63.53 113.122 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 45' ' ' LEU . 35.0 m-85 -83.54 166.14 18.5 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 117.404 0.602 . . . . 71.42 111.27 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.568 ' HE2' ' HA ' ' A' ' 128' ' ' GLU . 30.2 ttmt -78.39 113.88 16.78 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.686 -1.143 . . . . 73.14 109.857 -177.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -90.82 119.89 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 123.806 0.842 . . . . 65.31 109.99 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -117.88 137.99 52.43 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 106.582 -1.636 . . . . 73.45 106.582 170.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.443 HD23 HG13 ' A' ' 97' ' ' ILE . 59.3 tp -132.21 102.91 5.97 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 109.389 -0.597 . . . . 63.24 109.389 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.1 tp -86.44 129.74 34.75 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 107.602 -1.258 . . . . 65.31 107.602 166.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.41 HD22 ' CD2' ' A' ' 93' ' ' PHE . 4.1 pp -133.99 142.25 47.58 Favored 'General case' 0 C--O 1.245 0.827 0 N-CA-C 108.935 -0.765 . . . . 74.15 108.935 176.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -144.86 142.81 30.23 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 108.775 -0.824 . . . . 62.55 108.775 178.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.563 ' N ' HD21 ' A' ' 90' ' ' LEU . 13.2 m-20 -150.07 166.35 30.02 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.042 1.337 . . . . 73.32 108.246 177.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -81.17 -30.79 34.29 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 115.461 -0.791 . . . . 51.0 109.538 168.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -82.5 106.14 14.13 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.416 0.686 . . . . 70.54 109.315 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.5 ' HA ' HD12 ' A' ' 90' ' ' LEU . 10.0 tp10 -65.72 -34.05 77.29 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.648 0.779 . . . . 73.53 110.951 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -64.76 -34.22 77.81 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.011 0.524 . . . . 64.54 110.991 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -68.77 -41.05 79.34 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.718 0.407 . . . . 72.24 111.005 174.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.563 HD21 ' N ' ' A' ' 84' ' ' ASP . 82.3 mt -61.11 -55.31 33.92 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.171 0.988 . . . . 73.23 112.506 -177.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -61.8 -45.2 94.89 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.018 0.824 . . . . 52.44 111.338 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 35.5 mm-40 -68.13 -46.53 70.63 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.073 0.549 . . . . 73.15 111.856 -177.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.41 ' CD2' HD22 ' A' ' 82' ' ' LEU . 14.4 t80 -66.3 -38.06 86.87 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.608 0.363 . . . . 73.1 111.175 -179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.497 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 29.1 ttpp -67.09 -48.07 69.3 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.8 0.44 . . . . 74.24 111.613 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -65.79 -19.14 65.78 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.477 0.547 . . . . 65.11 112.477 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 10.6 mmpt? -61.89 -51.18 69.21 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 108.976 -0.75 . . . . 73.1 108.976 168.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.451 HG22 ' HB2' ' A' ' 102' ' ' TYR . 17.6 mm -70.51 -34.65 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-N 114.078 -1.419 . . . . 64.43 110.954 -175.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -65.99 -38.41 88.43 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.696 0.799 . . . . 75.32 111.209 172.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.4 t -70.35 -29.52 66.23 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 122.987 0.515 . . . . 71.03 110.527 176.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -77.2 -22.51 52.24 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.733 0.813 . . . . 74.21 110.455 173.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.54 47.41 6.38 Favored Glycine 0 C--N 1.35 1.324 0 CA-C-N 115.994 -0.548 . . . . 74.13 113.0 175.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.451 ' HB2' HG22 ' A' ' 97' ' ' ILE . 79.1 m-85 -112.83 151.01 30.9 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 109.529 -0.545 . . . . 70.31 109.529 173.157 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -65.61 94.17 0.19 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.309 1.044 . . . . 72.24 109.784 175.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.9 p -114.35 150.73 16.27 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 C-N-CA 123.588 0.755 . . . . 74.04 110.134 -177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.522 ' HB3' HD13 ' A' ' 116' ' ' ILE . 26.9 mmm180 -139.22 150.25 45.31 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.41 1.484 . . . . 73.35 108.602 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.497 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 1.4 tmmt? -141.56 143.35 33.69 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.527 0.731 . . . . 71.21 111.277 -175.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.455 HG13 HD11 ' A' ' 116' ' ' ILE . 2.5 m -149.79 158.52 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.957 1.303 . . . . 55.52 109.819 173.067 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.8 m -105.21 -33.64 8.17 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.96 -1.018 . . . . 64.22 109.818 174.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -85.0 143.2 29.08 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.459 0.703 . . . . 64.43 111.323 -177.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.543 ' HB2' HD13 ' A' ' 14' ' ' LEU . 5.0 p-10 -63.75 -45.36 90.16 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.042 1.337 . . . . 61.44 111.983 178.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.74 -34.8 79.18 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.616 1.167 . . . . 64.54 111.544 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -78.21 -23.97 47.25 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.41 -0.814 . . . . 61.44 110.813 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.407 ' HA ' HG21 ' A' ' 107' ' ' VAL . . . -67.34 -38.85 85.53 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.084 0.554 . . . . 75.03 110.817 172.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.483 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 38.8 mt -65.94 -29.82 70.29 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.336 -0.847 . . . . 73.11 110.579 175.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -68.51 -45.13 73.1 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 124.04 0.936 . . . . 71.1 111.308 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.522 HD13 ' HB3' ' A' ' 105' ' ' ARG . 19.7 mt -69.41 -26.4 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 122.916 0.486 . . . . 74.21 111.916 -175.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.25 -38.7 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 CA-C-O 121.188 0.518 . . . . 71.34 109.798 170.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -75.25 -42.4 55.24 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.22 1.008 . . . . 74.23 110.932 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.6 -33.42 73.87 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.572 0.749 . . . . 71.32 112.242 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -54.1 -45.35 71.8 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.893 0.877 . . . . 75.12 111.154 173.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.441 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 17.6 mmt -61.13 -42.19 98.09 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 114.934 -1.03 . . . . 74.05 111.187 -174.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -80.26 -34.7 36.83 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.094 0.558 . . . . 74.02 111.863 -177.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -83.64 -64.78 1.1 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.917 0.487 . . . . 74.24 111.28 -174.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.24 -22.92 61.17 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.327 0.651 . . . . 72.32 111.473 -174.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.05 -45.06 63.87 Favored Glycine 0 C--N 1.349 1.282 0 N-CA-C 111.968 -0.453 . . . . 44.34 111.968 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.0 m -80.0 -25.69 40.18 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.28 0.632 . . . . 53.35 111.932 -177.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 130' ' ' HIS . 18.4 tp -118.58 111.19 18.26 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.708 0.403 . . . . 72.11 111.733 -168.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.568 ' HA ' ' HE2' ' A' ' 77' ' ' LYS . 8.9 pt-20 -87.36 -47.52 8.73 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.136 0.574 . . . . 70.22 110.687 169.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -97.17 107.2 19.67 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 109.126 -0.694 . . . . 64.31 109.126 -176.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.525 ' HA ' HD21 ' A' ' 127' ' ' LEU . 67.1 m-70 -73.49 166.36 23.37 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.122 0.569 . . . . 71.2 110.692 -175.203 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -84.08 37.87 0.63 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.262 0.625 . . . . 73.53 111.977 -175.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -76.87 76.54 3.46 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 121.748 0.785 . . . . 73.24 110.19 -175.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 174.78 149.56 0.09 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.645 1.978 . . . . 75.41 107.318 -176.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 . . . . . 0 CA--C 1.547 0.859 0 N-CA-C 108.667 -0.864 . . . . 54.21 108.667 -178.269 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mmm . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 110.083 -0.34 . . . . 71.31 110.083 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -95.86 158.7 15.33 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.542 0.687 . . . . 64.23 110.971 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -115.89 161.04 19.37 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-N 114.713 -1.13 . . . . 52.02 108.642 170.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.67 113.16 8.43 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 107.124 -1.435 . . . . 60.1 107.124 176.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.1 tt -107.71 130.07 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.389 0.675 . . . . 70.15 109.854 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mp -106.22 128.41 53.93 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 108.094 -1.076 . . . . 72.31 108.094 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 mp -104.17 142.83 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 106.811 -1.552 . . . . 70.11 106.811 165.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.471 ' CB ' HD11 ' A' ' 64' ' ' LEU . 27.2 t-20 -134.13 123.37 24.31 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.16 -1.052 . . . . 75.03 108.16 163.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.464 ' HA ' ' O ' ' A' ' 83' ' ' GLN . 7.9 t -145.77 129.0 16.72 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.32 -0.992 . . . . 63.13 108.32 167.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -89.49 11.54 19.1 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.824 -0.626 . . . . 62.44 110.113 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -92.92 104.57 16.79 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 107.86 -1.163 . . . . 73.42 107.86 171.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.79 -46.06 85.16 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.277 1.031 . . . . 74.24 111.889 -168.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 11.2 pt-20 -61.15 -39.25 89.37 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.868 -0.605 . . . . 54.23 111.4 -178.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.415 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.3 tp -69.49 -39.35 77.68 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.057 0.543 . . . . 62.21 110.677 -178.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.689 HG23 HG21 ' A' ' 57' ' ' ILE . 66.1 mt -51.2 -49.03 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 CA-C-O 121.236 0.541 . . . . 71.12 110.478 176.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 94.5 mttt -60.93 -39.99 91.51 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.308 -1.315 . . . . 75.22 111.152 -177.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 58.9 mtpt -68.53 -43.68 76.2 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.939 0.775 . . . . 65.12 111.054 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 22' ' ' VAL . 67.9 mt -61.14 -43.15 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 123.94 0.775 . . . . 73.03 109.987 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -49.59 -53.88 21.39 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 123.743 0.652 . . . . 74.55 110.44 174.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 71.4 mmtt -66.83 -34.56 78.07 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.304 0.642 . . . . 71.02 112.168 -173.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 17.0 mm-40 -59.73 -48.22 82.56 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.049 0.54 . . . . 62.35 110.028 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 18' ' ' ILE . 58.4 t -76.25 -32.96 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 C-N-CA 124.829 1.252 . . . . 74.45 111.83 -172.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -76.74 -21.33 55.41 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.465 0.706 . . . . 63.32 110.695 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -70.8 -30.04 66.39 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.165 0.586 . . . . 74.14 110.203 169.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.679 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 45.1 mm-40 -83.7 -23.64 31.6 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.981 0.513 . . . . 75.13 110.589 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.97 7.3 57.56 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-N 116.017 -0.538 . . . . 73.41 113.436 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -76.32 163.25 27.19 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.219 0.608 . . . . 73.42 110.851 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -86.37 111.59 20.64 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.852 -0.796 . . . . 61.53 108.852 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.8 t -98.18 124.64 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 109.518 -0.549 . . . . 62.44 109.518 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.86 117.34 23.15 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 108.907 -0.775 . . . . 75.53 108.907 168.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.478 ' HA ' ' O ' ' A' ' 57' ' ' ILE . 7.3 p-10 -90.47 113.35 25.28 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 108.878 -0.786 . . . . 74.52 108.878 171.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.5 HG11 ' HB2' ' A' ' 38' ' ' LEU . 82.7 t -97.56 121.23 47.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 124.019 0.927 . . . . 73.33 109.072 177.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -110.69 -27.7 8.78 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.634 1.173 . . . . 55.44 108.74 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -135.78 154.12 51.32 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.739 1.215 . . . . 72.24 109.108 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.5 m -63.15 -22.05 66.6 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.35 1.06 . . . . 74.14 113.292 -172.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -82.72 -21.02 34.94 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.928 0.491 . . . . 73.31 111.621 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -75.73 -33.88 60.29 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.001 0.52 . . . . 73.34 109.766 171.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.5 ' HB2' HG11 ' A' ' 32' ' ' VAL . 8.4 tp -64.88 -62.0 1.83 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.519 1.128 . . . . 72.32 110.546 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -58.8 -27.11 64.73 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.512 0.725 . . . . 51.11 111.961 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -64.36 -54.9 25.67 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 125.331 1.452 . . . . 75.21 111.144 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -78.49 -27.41 46.21 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.58 -0.737 . . . . 71.41 111.349 -172.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.9 mmt -56.57 -41.86 77.63 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.067 0.947 . . . . 72.5 110.668 173.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -62.7 -44.19 96.88 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 115.594 -0.73 . . . . 74.42 110.752 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -64.62 -31.99 73.46 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.687 0.617 . . . . 63.54 111.162 -177.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.95 -42.24 90.25 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.109 0.564 . . . . 73.21 110.918 174.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.73 -41.03 75.84 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 123.869 0.731 . . . . 71.01 111.153 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.75 -55.22 9.11 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.319 0.648 . . . . 71.11 110.966 -176.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -78.62 115.11 18.1 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.349 -0.982 . . . . 63.22 108.349 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -80.74 -65.23 1.04 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.572 0.582 . . . . 60.14 112.572 -171.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -110.73 96.74 6.36 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 121.903 0.859 . . . . 74.22 111.818 -168.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -152.81 169.37 22.96 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.781 1.632 . . . . 74.13 106.988 167.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.49 -172.67 2.62 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 112.995 0.739 . . . . 75.4 112.995 -170.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -71.29 151.53 44.13 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.833 0.853 . . . . 71.24 110.738 -165.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.1 mp -118.73 141.71 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.53 0.732 . . . . 62.42 109.097 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.414 HD22 HG21 ' A' ' 22' ' ' VAL . 5.5 tt -121.75 112.01 17.85 Favored 'General case' 0 C--O 1.245 0.868 0 C-N-CA 124.357 1.063 . . . . 65.5 109.657 -176.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 32.2 mm -104.8 110.71 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 115.446 -0.797 . . . . 74.23 109.93 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.689 HG21 HG23 ' A' ' 15' ' ' ILE . 54.0 mt -86.96 121.74 38.1 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 N-CA-C 107.399 -1.334 . . . . 62.23 107.399 171.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.5 t -114.13 138.93 49.78 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.734 -1.209 . . . . 75.22 107.734 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -89.28 -5.35 57.65 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.127 0.571 . . . . 61.52 110.463 -176.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -136.7 140.98 43.07 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.844 0.858 . . . . 73.13 110.014 -175.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -85.54 -17.78 35.33 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.215 0.606 . . . . 75.15 112.56 -173.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -76.27 -32.7 58.98 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.36 -0.607 . . . . 71.42 109.36 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.414 HD13 HG12 ' A' ' 32' ' ' VAL . 87.8 mt -66.9 -32.86 74.4 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.569 0.748 . . . . 64.43 110.559 175.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.471 HD11 ' CB ' ' A' ' 8' ' ' ASN . 95.6 mt -58.13 -54.08 50.97 Favored 'General case' 0 C--N 1.359 1.012 0 O-C-N 123.766 0.666 . . . . 75.12 110.441 176.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HE3' ' OE1' ' A' ' 100' ' ' GLN . 21.2 tptm -53.5 -48.69 68.73 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 124.284 0.99 . . . . 72.2 111.19 -173.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -59.35 -46.94 87.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.185 0.994 . . . . 63.43 110.885 177.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 30.2 ttm -63.95 -44.64 92.22 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.964 0.906 . . . . 65.51 111.194 -176.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.427 HD11 HD22 ' A' ' 80' ' ' LEU . 70.6 mt -53.97 -44.46 70.79 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 125.088 1.355 . . . . 53.42 111.075 177.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -67.55 -44.17 78.93 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.159 -0.928 . . . . 72.23 110.822 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.64 -45.99 92.0 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.369 0.668 . . . . 61.21 111.045 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.488 HG22 HG22 ' A' ' 78' ' ' VAL . 96.9 mt -62.7 -30.75 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.435 1.094 . . . . 64.33 111.733 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -62.41 -47.17 85.29 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.532 0.733 . . . . 72.31 111.051 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -6.51 58.53 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 112.172 0.434 . . . . 74.0 112.172 177.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.2 mt -74.63 -34.41 62.78 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 108.948 -0.76 . . . . 73.32 108.948 167.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.43 10.49 31.26 Favored Glycine 0 C--N 1.351 1.38 0 CA-C-O 119.61 -0.55 . . . . 73.11 114.313 171.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -83.89 160.37 21.14 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 117.498 0.649 . . . . 72.03 109.793 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -67.32 119.19 11.77 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.212 -1.033 . . . . 74.35 108.212 170.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.488 HG22 HG22 ' A' ' 71' ' ' ILE . 20.3 t -88.33 106.44 16.57 Favored 'Isoleucine or valine' 0 C--O 1.245 0.832 0 N-CA-C 108.234 -1.024 . . . . 74.42 108.234 -175.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -118.55 139.72 51.02 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.155 -1.054 . . . . 75.34 108.155 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.427 HD22 HD11 ' A' ' 68' ' ' LEU . 52.7 tp -135.98 144.77 45.55 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.411 1.085 . . . . 51.13 108.189 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.3 tp -141.93 113.53 7.8 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 106.725 -1.583 . . . . 64.22 106.725 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.431 ' HB2' HD22 ' A' ' 90' ' ' LEU . 1.1 pp -117.67 135.8 53.76 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.542 0.687 . . . . 74.22 111.306 -174.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 9' ' ' THR . 42.4 tp60 -137.8 139.83 40.22 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.795 1.638 . . . . 72.12 108.034 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.445 ' N ' HD11 ' A' ' 90' ' ' LEU . 6.8 t70 -164.14 165.35 22.26 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 107.709 -1.219 . . . . 72.22 107.709 178.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -77.18 -25.73 52.17 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.045 0.45 . . . . 73.31 109.794 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -97.42 98.88 10.32 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.413 1.085 . . . . 73.53 109.476 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -77.33 -22.09 52.38 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.084 0.553 . . . . 71.21 111.728 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -61.68 -42.33 98.78 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 110.053 -0.351 . . . . 74.51 110.053 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.98 -30.51 66.78 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.665 -0.698 . . . . 64.33 111.076 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.445 HD11 ' N ' ' A' ' 84' ' ' ASP . 63.5 mt -64.57 -49.38 71.4 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.656 0.382 . . . . 64.55 111.473 177.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -78.49 -31.06 47.58 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.546 0.529 . . . . 72.34 112.074 -170.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.5 -36.22 73.67 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 109.712 -0.477 . . . . 70.31 109.712 178.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.513 ' O ' HG12 ' A' ' 97' ' ' ILE . 45.2 t80 -69.97 -46.77 64.52 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.57 0.748 . . . . 74.54 109.733 173.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -55.5 -49.29 72.97 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.764 1.226 . . . . 74.3 111.743 -176.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -60.42 -33.89 73.16 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.717 0.807 . . . . 72.02 111.742 -176.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -69.51 -42.3 74.9 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.18 0.592 . . . . 62.24 110.107 177.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 93' ' ' PHE . 37.3 mm -66.1 -37.4 79.7 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.371 0 CA-C-N 115.156 -0.929 . . . . 74.31 110.369 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -65.64 -38.32 89.05 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.803 0.841 . . . . 73.41 111.192 172.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.0 t -69.28 -18.05 63.81 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.889 0.876 . . . . 50.42 111.434 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.462 ' OE1' ' HE3' ' A' ' 65' ' ' LYS . 65.3 mt-30 -97.25 -2.51 42.56 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.105 0.962 . . . . 73.14 111.417 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.45 8.93 70.17 Favored Glycine 0 C--N 1.346 1.105 0 N-CA-C 114.272 0.469 . . . . 53.31 114.272 174.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.449 ' HB2' HG22 ' A' ' 97' ' ' ILE . 23.8 m-85 -84.55 136.12 33.93 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 117.278 0.539 . . . . 73.22 109.665 176.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -76.6 102.46 6.13 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.289 0.635 . . . . 74.23 109.35 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 p -118.53 137.81 51.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.344 0.658 . . . . 72.33 110.368 177.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -113.95 145.12 41.97 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 107.95 -1.13 . . . . 65.03 107.95 174.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -116.58 135.52 53.73 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.263 -0.643 . . . . 75.32 109.263 175.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.421 HG23 ' HB2' ' A' ' 83' ' ' GLN . 17.3 m -124.32 160.62 28.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 C-N-CA 123.983 0.913 . . . . 62.23 109.022 176.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.5 m -117.13 -4.14 11.47 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.54 0.736 . . . . 74.52 110.49 -176.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -148.8 160.26 43.38 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 121.43 0.633 . . . . 72.14 112.091 -172.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -50.04 -59.04 4.28 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.43 1.892 . . . . 61.44 112.458 175.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.51 -20.56 60.63 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.698 0.399 . . . . 75.04 112.016 -171.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.35 -46.68 79.24 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 110.112 -0.329 . . . . 74.24 110.112 170.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.1 -48.13 81.56 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.322 -0.854 . . . . 72.12 110.663 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.6 -41.01 89.32 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.536 0.734 . . . . 65.41 110.851 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -62.56 -53.15 59.03 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 115.464 -0.789 . . . . 73.32 111.39 -178.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 23.7 mt -66.88 -32.6 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 123.019 0.527 . . . . 53.05 111.517 -175.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 25.4 t -55.62 -48.44 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 123.536 0.734 . . . . 74.32 111.049 172.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 -73.9 -42.58 60.47 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.815 -0.63 . . . . 74.4 110.97 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -56.5 -44.54 80.82 Favored 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 123.726 0.81 . . . . 74.22 111.363 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -45.57 -45.26 13.51 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.678 1.191 . . . . 72.42 111.731 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.679 ' SD ' ' HG3' ' A' ' 25' ' ' GLN . 51.0 mtt -66.14 -26.43 67.43 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.371 -1.286 . . . . 71.43 112.622 -170.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -99.63 -30.97 11.82 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.09 0.556 . . . . 72.41 110.658 173.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.552 ' HA ' ' HB2' ' A' ' 127' ' ' LEU . 1.3 tppp? -84.32 -54.35 4.84 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.851 0.86 . . . . 73.01 110.747 -164.096 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.63 -15.48 61.28 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.875 0.87 . . . . 74.02 112.426 -177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.24 -78.07 0.15 Allowed Glycine 0 C--N 1.357 1.701 0 O-C-N 124.047 0.842 . . . . 73.22 112.462 173.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 71.0 m -155.66 28.74 0.38 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.692 0.797 . . . . 65.22 111.042 178.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.552 ' HB2' ' HA ' ' A' ' 123' ' ' LYS . 88.6 mt -110.48 114.34 27.68 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.134 0.574 . . . . 63.43 109.978 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.28 149.28 48.66 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.548 0.739 . . . . 64.41 110.31 176.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 -116.47 95.06 4.88 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.89 0.876 . . . . 71.24 109.19 -176.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -74.13 80.3 1.76 Allowed 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 122.114 0.959 . . . . 71.23 110.402 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -82.53 94.3 7.46 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.316 -0.857 . . . . 73.53 109.081 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -109.94 81.25 1.41 Allowed 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 108.952 -0.758 . . . . 65.13 108.952 174.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -118.06 -5.89 10.95 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.865 0.866 . . . . 70.4 109.929 172.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 56.6 t60 . . . . . 0 C--O 1.251 1.132 0 C-N-CA 124.213 1.005 . . . . 70.43 108.422 178.958 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 ttp . . . . . 0 N--CA 1.487 1.377 0 N-CA-C 109.427 -0.583 . . . . 72.23 109.427 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -126.94 145.03 50.83 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 123.728 0.811 . . . . 73.32 109.341 171.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.56 ' HG2' ' HB1' ' A' ' 124' ' ' ALA . 1.7 mp0 -128.6 144.47 51.16 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 114.086 -1.415 . . . . 55.23 107.506 177.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.521 ' HB2' HG21 ' A' ' 71' ' ' ILE . 4.2 mm? -125.24 112.14 16.06 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 107.863 -1.162 . . . . 72.1 107.863 175.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 tt -97.75 124.17 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 108.425 -0.954 . . . . 75.33 108.425 175.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mp -103.18 121.75 43.31 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 107.824 -1.176 . . . . 73.31 107.824 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.564 HG21 HD13 ' A' ' 18' ' ' ILE . 2.2 mp -98.86 138.97 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 108.063 -1.088 . . . . 62.12 108.063 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.629 ' HB2' HD11 ' A' ' 64' ' ' LEU . 7.7 t-20 -123.33 112.87 18.11 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 108.397 -0.964 . . . . 75.51 108.397 176.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.7 HG23 HG12 ' A' ' 15' ' ' ILE . 1.5 t -144.46 131.51 20.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.892 0.745 . . . . 64.4 109.097 175.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -102.55 13.2 35.13 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.192 -0.913 . . . . 73.52 110.765 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.429 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.4 t-20 -109.42 113.73 26.78 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.324 -0.991 . . . . 75.45 108.324 174.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.31 -39.71 80.08 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.633 1.173 . . . . 63.11 111.308 -174.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.16 -36.33 77.26 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.68 -1.146 . . . . 72.4 110.913 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 18' ' ' ILE . 26.1 tp -69.55 -37.61 77.11 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 118.923 -0.56 . . . . 73.12 110.185 177.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.7 HG12 HG23 ' A' ' 9' ' ' THR . 55.2 mt -53.91 -50.39 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 123.092 0.557 . . . . 72.11 110.452 177.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -64.43 -36.05 82.9 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.136 -0.938 . . . . 73.12 111.842 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 55.2 mtpt -65.96 -42.79 89.47 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 123.469 0.481 . . . . 75.23 110.548 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.564 HD13 HG21 ' A' ' 7' ' ' ILE . 87.4 mt -60.33 -43.91 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 124.07 0.856 . . . . 64.52 109.579 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.516 ' HE3' HG22 ' A' ' 15' ' ' ILE . 98.7 mttt -51.89 -42.9 63.06 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 123.827 0.704 . . . . 61.43 111.28 175.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -66.06 -44.26 85.03 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.393 0.677 . . . . 74.55 111.455 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 16.1 mm-40 -59.73 -44.13 93.89 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.554 0.742 . . . . 75.35 110.835 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 18' ' ' ILE . 94.0 t -68.25 -33.88 63.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.869 1.268 . . . . 72.32 111.343 -175.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.23 -26.87 62.19 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.187 0.595 . . . . 71.44 110.782 174.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -79.81 -21.19 44.56 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.382 0.673 . . . . 63.11 110.044 174.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 75.6 mm-40 -87.6 -18.63 29.24 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.387 0.675 . . . . 75.12 109.887 171.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.02 37.7 15.15 Favored Glycine 0 C--N 1.351 1.394 0 C-N-CA 123.515 0.578 . . . . 33.11 113.747 174.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.573 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 5.7 m-85 -107.6 163.0 13.45 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.858 0.863 . . . . 73.22 110.803 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.467 ' HB2' HG23 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -77.72 110.32 12.47 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 107.536 -1.283 . . . . 71.32 107.536 176.656 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -83.58 117.09 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.124 0.569 . . . . 70.31 109.57 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.8 mmm-85 -122.29 141.44 51.52 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 107.887 -1.153 . . . . 75.34 107.887 172.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -128.78 138.51 52.13 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.381 0.672 . . . . 74.52 109.194 171.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.595 HG11 ' HB3' ' A' ' 38' ' ' LEU . 51.2 t -123.31 124.67 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.175 1.39 . . . . 55.45 108.643 -175.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -123.64 9.75 8.99 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.003 0.521 . . . . 73.15 111.274 -178.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -158.91 154.89 26.69 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.51 0.724 . . . . 51.32 109.983 -175.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.2 p -68.29 -25.08 64.97 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.033 0.933 . . . . 75.35 113.173 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -84.11 -26.83 28.63 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 110.046 -0.353 . . . . 74.44 110.046 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -65.09 -36.11 83.27 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.408 0.683 . . . . 75.03 111.95 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.595 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.4 pp -75.92 -45.62 34.26 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.195 0.309 . . . . 74.12 110.945 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 17.4 ptpt -66.74 -33.75 76.32 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 122.698 0.399 . . . . 75.22 111.215 -172.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -69.69 -38.23 76.93 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.376 0.67 . . . . 74.23 111.345 -175.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -88.42 -25.29 22.73 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.299 0.64 . . . . 64.15 111.049 -177.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.464 ' SD ' HD12 ' A' ' 45' ' ' LEU . 14.6 mmt -62.96 -28.27 69.97 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 123.761 0.824 . . . . 62.4 111.592 172.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 28.1 mtpp -58.07 -49.19 77.78 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.64 0.776 . . . . 73.51 109.998 171.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -72.11 -27.9 62.94 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.121 -0.945 . . . . 71.12 111.546 -177.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.464 HD12 ' SD ' ' A' ' 42' ' ' MET . 88.4 mt -69.94 -38.81 76.28 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 122.487 0.315 . . . . 72.1 110.259 174.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.3 -39.78 85.99 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.86 0.864 . . . . 50.21 111.599 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -74.25 -55.63 5.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.637 0.775 . . . . 74.45 111.085 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -86.65 93.47 9.23 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.483 -0.78 . . . . 74.12 111.302 -171.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -105.01 3.21 30.34 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.278 1.031 . . . . 72.3 110.775 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -90.41 -2.59 57.96 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.808 0.843 . . . . 44.35 112.524 -170.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -124.21 171.41 9.87 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 122.818 0.447 . . . . 74.41 109.915 176.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.07 169.37 15.12 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.949 0.9 . . . . 54.42 112.894 -173.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.444 ' H ' ' HD3' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -51.76 146.0 8.65 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 113.253 -1.794 . . . . 75.24 113.358 179.177 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.467 HG23 ' HB2' ' A' ' 28' ' ' GLN . 3.7 mp -115.52 148.77 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.9 1.28 . . . . 75.34 108.291 -174.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 tt -106.17 121.36 44.02 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.144 0.578 . . . . 73.4 109.641 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.4 mm -103.35 140.27 22.01 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 C-N-CA 124.203 1.001 . . . . 73.32 109.255 176.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.45 HG21 HG23 ' A' ' 15' ' ' ILE . 61.4 mt -117.32 149.24 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 N-CA-C 107.199 -1.408 . . . . 63.24 107.199 169.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.5 t -155.75 124.78 6.13 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 123.788 0.835 . . . . 72.24 109.1 176.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -67.88 -35.98 79.46 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.004 0.921 . . . . 72.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -94.93 142.02 27.96 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.73 0.812 . . . . 64.42 111.327 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HA ' HD12 ' A' ' 64' ' ' LEU . 56.2 mttp -86.08 -27.98 24.36 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.321 1.048 . . . . 61.33 112.505 -173.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -73.8 -29.19 62.03 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.981 -0.377 . . . . 75.34 109.981 177.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.6 mt -66.76 -39.92 88.07 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.052 0.541 . . . . 73.33 109.966 173.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 8' ' ' ASN . 90.0 mt -55.38 -54.47 43.27 Favored 'General case' 0 C--N 1.362 1.13 0 O-C-N 124.271 0.982 . . . . 72.41 110.408 176.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -56.33 -43.86 79.45 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 124.648 1.218 . . . . 72.54 111.464 -172.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -59.74 -50.93 71.91 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.899 -0.592 . . . . 72.21 111.528 173.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.74 -37.76 88.57 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.521 0.563 . . . . 71.34 112.521 -177.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 65.3 mt -57.15 -36.9 71.3 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.709 0.804 . . . . 75.31 110.636 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -74.37 -41.42 61.04 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.19 -0.914 . . . . 74.42 111.52 177.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.55 -52.12 66.53 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.39 0.676 . . . . 71.12 110.816 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.521 HG21 ' HB2' ' A' ' 4' ' ' LEU . 54.9 mt -64.45 -32.86 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 124.389 1.076 . . . . 63.01 110.904 -177.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.9 t -65.94 -45.99 79.78 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.066 -0.97 . . . . 60.31 111.258 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.42 -22.1 57.66 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 119.804 -0.141 . . . . 72.41 111.053 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.3 mt -71.39 -25.76 62.5 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.991 0.516 . . . . 62.11 110.195 170.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.94 12.34 55.49 Favored Glycine 0 C--N 1.343 0.922 0 CA-C-N 116.052 -0.522 . . . . 41.12 113.262 172.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -85.74 158.94 19.9 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 109.868 -0.419 . . . . 63.32 109.868 175.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -74.27 117.03 15.61 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.899 -0.778 . . . . 74.44 108.899 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.1 t -90.45 124.55 43.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 C-N-CA 123.234 0.614 . . . . 75.33 109.406 -175.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -126.18 144.1 50.89 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 107.885 -1.154 . . . . 72.31 107.885 175.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.474 HD11 HD13 ' A' ' 64' ' ' LEU . 52.4 tp -136.1 142.71 44.32 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.651 -0.87 . . . . 73.41 108.651 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.9 tp -142.33 114.43 8.21 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 106.147 -1.797 . . . . 74.45 106.147 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.592 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 1.1 pp -127.44 145.03 50.97 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 112.15 0.426 . . . . 41.43 112.15 -169.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.56 ' HB3' HG23 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -141.68 148.96 39.94 Favored 'General case' 0 C--O 1.246 0.892 0 C-N-CA 123.884 0.874 . . . . 75.12 109.238 174.384 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -164.32 160.99 21.54 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 107.878 -1.156 . . . . 61.45 107.878 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -72.43 -31.22 65.3 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.661 0.384 . . . . 74.11 110.673 177.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -94.24 97.45 10.26 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.742 0.817 . . . . 74.23 109.12 170.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.18 -22.5 62.95 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.916 0.886 . . . . 72.41 111.236 -177.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -63.22 -27.49 69.39 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.706 0.802 . . . . 74.4 111.992 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -78.24 -33.25 49.86 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 120.845 0.355 . . . . 61.44 110.09 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.404 HD22 HD13 ' A' ' 82' ' ' LEU . 87.7 mt -67.97 -39.55 83.31 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.994 0.918 . . . . 62.34 111.907 -178.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -66.57 -39.1 88.3 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.583 0.353 . . . . 63.01 110.83 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 51.8 mm-40 -72.68 -39.65 66.91 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.5 0.72 . . . . 72.34 111.822 -176.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.486 ' O ' HG12 ' A' ' 97' ' ' ILE . 2.3 t80 -67.32 -47.04 71.7 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 109.545 -0.539 . . . . 73.21 109.545 176.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 27.2 ttpp -58.52 -50.31 74.23 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.911 0.885 . . . . 71.12 112.664 -176.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -62.58 -21.86 65.92 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 112.847 0.684 . . . . 73.14 112.847 -175.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 42.3 mmtm -68.53 -52.06 36.11 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 109.025 -0.731 . . . . 70.14 109.025 170.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 93' ' ' PHE . 29.3 mm -67.72 -35.77 73.77 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.216 0 CA-C-N 114.37 -1.286 . . . . 71.0 111.513 -170.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -55.43 -51.28 67.42 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 123.724 0.809 . . . . 74.55 111.299 170.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.0 t -64.67 -31.74 73.1 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.626 -1.17 . . . . 71.43 111.043 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -80.41 5.09 15.99 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.694 0.798 . . . . 60.41 111.763 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.53 0.29 82.23 Favored Glycine 0 C--N 1.355 1.634 0 C-N-CA 123.089 0.376 . . . . 74.43 114.016 169.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.451 ' HB2' HG22 ' A' ' 97' ' ' ILE . 6.0 m-85 -90.8 149.23 22.06 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 109.316 -0.624 . . . . 74.1 109.316 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -83.84 126.69 33.2 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.707 -0.849 . . . . 73.32 108.707 174.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.403 HG22 ' HG3' ' A' ' 94' ' ' LYS . 3.8 p -137.78 142.96 34.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 C-N-CA 123.245 0.618 . . . . 75.1 110.148 -176.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.514 ' HA ' ' HE ' ' A' ' 105' ' ' ARG . 1.6 mmp_? -130.66 126.99 38.0 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 124.07 0.948 . . . . 75.04 109.654 -174.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.535 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 25.6 ttmt -92.92 136.04 33.61 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.054 0.541 . . . . 72.32 110.147 174.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.56 HG23 ' HB3' ' A' ' 83' ' ' GLN . 34.1 m -140.22 171.86 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.303 1.041 . . . . 73.32 108.286 167.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.4 m -137.91 -38.48 0.57 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.371 0.669 . . . . 62.44 109.445 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.452 ' HB2' ' HG2' ' A' ' 112' ' ' GLU . 15.4 m-20 -83.09 156.63 23.21 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 115.631 -0.713 . . . . 52.35 111.499 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -54.45 -55.1 32.28 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 113.752 -1.567 . . . . 63.32 110.47 170.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -58.26 -40.83 82.85 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.679 -1.146 . . . . 71.3 111.862 -175.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.629 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 33.4 mm-40 -66.21 -35.78 81.33 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.758 0.823 . . . . 74.43 111.226 -177.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -65.35 -46.43 80.25 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.661 -0.7 . . . . 63.42 110.982 177.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.472 HD22 ' HG3' ' A' ' 21' ' ' GLU . 35.1 mt -67.68 -27.63 67.0 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.317 0.647 . . . . 54.01 111.334 -177.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.629 ' HD3' ' HA ' ' A' ' 112' ' ' GLU . 25.1 mtpp -65.22 -58.67 5.38 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.753 0.821 . . . . 74.21 111.002 176.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 14.8 mt -67.53 -23.34 29.72 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.223 0 N-CA-C 112.578 0.584 . . . . 75.22 112.578 -170.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 113' ' ' ALA . 70.0 t -48.46 -44.35 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 C-N-CA 123.215 0.606 . . . . 74.14 110.515 167.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -69.61 -46.33 66.52 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.409 0.684 . . . . 74.52 110.762 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 0.7 OUTLIER -58.25 -35.02 71.12 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.086 0.555 . . . . 73.05 112.035 -177.813 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.644 ' HD2' ' SD ' ' A' ' 121' ' ' MET . 59.7 t80 -54.66 -47.03 74.07 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.223 0.609 . . . . 74.21 111.308 171.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.644 ' SD ' ' HD2' ' A' ' 120' ' ' PHE . 8.8 mmt -58.22 -29.79 65.98 Favored 'General case' 0 N--CA 1.483 1.175 0 O-C-N 124.369 1.043 . . . . 74.43 112.401 -171.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -98.86 -33.33 10.92 Favored 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 123.356 0.662 . . . . 73.41 112.17 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -76.63 -53.41 8.06 Favored 'General case' 0 N--CA 1.498 1.938 0 C-N-CA 123.59 0.756 . . . . 71.31 110.089 -170.623 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.56 ' HB1' ' HG2' ' A' ' 3' ' ' GLU . . . -70.18 -7.68 43.82 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 115.652 -0.703 . . . . 33.42 112.828 -174.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -79.69 65.39 3.71 Favored Glycine 0 C--N 1.351 1.411 0 N-CA-C 110.743 -0.943 . . . . 55.41 110.743 169.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 66.1 m -144.9 100.2 3.46 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 124.151 0.981 . . . . 34.53 109.261 -176.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -78.74 90.85 4.64 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 107.959 -1.126 . . . . 74.25 107.959 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -79.5 132.51 36.35 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.093 0.557 . . . . 72.42 111.165 -175.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -102.22 28.34 5.95 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.103 0.961 . . . . 62.42 109.637 170.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -59.18 122.72 14.52 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 123.791 0.836 . . . . 70.34 109.592 174.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -66.48 140.15 58.0 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 124.312 1.008 . . . . 72.02 110.637 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -73.01 -7.73 52.54 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.991 0.916 . . . . 74.43 112.197 -173.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -116.18 117.19 29.35 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.768 0.827 . . . . 72.53 109.233 169.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 24.4 p80 . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 109.481 -0.563 . . . . 73.41 109.481 173.51 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mmm . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 121.144 0.497 . . . . 63.42 110.309 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -160.6 109.78 1.69 Allowed 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 106.417 -1.697 . . . . 73.02 106.417 177.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.624 ' HA ' ' HB3' ' A' ' 77' ' ' LYS . 3.9 mm-40 -82.04 141.51 33.13 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.137 0.575 . . . . 53.24 111.252 -163.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -126.91 114.49 17.94 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.077 0.551 . . . . 71.02 110.025 -176.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.8 tt -108.43 125.05 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.733 0.813 . . . . 74.15 109.213 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -110.09 118.63 36.9 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 108.287 -1.005 . . . . 74.11 108.287 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.45 HG21 HD13 ' A' ' 18' ' ' ILE . 2.6 mp -98.72 127.24 51.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 108.746 -0.835 . . . . 72.43 108.746 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.525 ' HB3' ' HA ' ' A' ' 82' ' ' LEU . 4.8 t-20 -101.83 112.59 25.25 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 106.964 -1.495 . . . . 74.22 106.964 173.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.522 HG23 HG12 ' A' ' 15' ' ' ILE . 1.7 t -144.15 119.43 10.2 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.401 0.619 . . . . 44.11 109.967 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -92.89 7.35 44.27 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 114.891 -1.049 . . . . 71.51 110.421 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.497 ' ND2' ' HB2' ' A' ' 14' ' ' LEU . 42.1 t30 -104.65 107.23 18.07 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.797 0.839 . . . . 63.0 109.302 178.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -60.86 -44.45 96.99 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.09 0.956 . . . . 65.22 112.682 -171.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -32.46 74.14 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 123.446 0.466 . . . . 74.11 110.553 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.497 ' HB2' ' ND2' ' A' ' 11' ' ' ASN . 32.9 tp -68.18 -42.88 79.29 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 123.442 0.464 . . . . 60.33 110.249 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.534 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 54.0 mt -52.75 -46.53 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 124.289 0.993 . . . . 74.04 110.274 178.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -59.49 -46.72 87.99 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 124.356 1.035 . . . . 74.14 110.51 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 43.8 mtpt -64.19 -40.08 95.35 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 114.811 -1.086 . . . . 72.42 111.594 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.527 ' O ' HG23 ' A' ' 22' ' ' VAL . 96.1 mt -60.41 -48.38 88.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 O-C-N 123.833 0.708 . . . . 74.21 109.28 178.123 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.61 ' HG2' HG11 ' A' ' 29' ' ' VAL . 86.3 mttt -52.52 -46.87 66.88 Favored 'General case' 0 C--N 1.359 0.994 0 O-C-N 124.144 0.902 . . . . 73.44 111.071 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -64.4 -41.45 96.65 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 124.257 0.973 . . . . 72.13 111.5 -177.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 31.2 mm-40 -63.72 -45.54 89.48 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.13 0.491 . . . . 75.24 111.459 177.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 18' ' ' ILE . 98.1 t -71.18 -36.08 60.96 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 124.193 0.997 . . . . 74.13 111.365 -173.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.88 -27.64 63.97 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.352 0.661 . . . . 73.34 110.986 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -69.84 -34.87 74.21 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.903 0.481 . . . . 74.14 110.056 172.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 12.0 mm-40 -79.75 -22.2 43.54 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.183 0.593 . . . . 71.25 110.711 178.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.8 36.85 7.1 Favored Glycine 0 C--N 1.348 1.247 0 CA-C-N 116.366 -0.379 . . . . 64.23 113.797 174.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.452 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 0.7 OUTLIER -107.2 154.98 20.41 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 108.543 -0.91 . . . . 52.2 108.543 174.59 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.464 ' HB2' HG23 ' A' ' 54' ' ' ILE . 1.8 mp0 -79.61 113.87 18.1 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.982 -0.747 . . . . 75.14 108.982 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.61 HG11 ' HG2' ' A' ' 19' ' ' LYS . 21.6 t -88.75 104.5 14.87 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 N-CA-C 109.788 -0.449 . . . . 74.53 109.788 177.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.75 104.84 12.36 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 107.803 -1.184 . . . . 61.54 107.803 176.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -100.1 144.44 29.13 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 109.511 -0.552 . . . . 52.52 109.511 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.494 HG11 ' HB3' ' A' ' 38' ' ' LEU . 98.5 t -115.63 120.9 66.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 124.124 0.97 . . . . 74.24 109.766 -173.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -114.6 -8.56 12.71 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.727 0.811 . . . . 75.31 109.958 174.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -138.3 151.01 47.19 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.632 0.773 . . . . 73.32 111.176 -169.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.0 p -65.94 -35.27 80.15 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.759 1.224 . . . . 71.11 113.047 -177.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.486 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 19.1 m-20 -87.89 -20.14 26.4 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.171 0.588 . . . . 63.21 109.812 -175.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.511 ' HA ' ' HE3' ' A' ' 40' ' ' LYS . 4.7 tp10 -68.12 -42.66 79.88 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.526 1.13 . . . . 73.54 110.753 172.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.494 ' HB3' HG11 ' A' ' 32' ' ' VAL . 2.4 pp -64.13 -43.26 95.8 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-N 117.832 0.287 . . . . 72.04 110.494 -175.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.486 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 18.6 ptpt -68.61 -34.31 75.54 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.135 0.574 . . . . 73.22 111.562 -171.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.511 ' HE3' ' HA ' ' A' ' 37' ' ' GLU . 20.6 pttp -77.74 -30.04 51.39 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.307 -0.406 . . . . 73.34 110.554 -176.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -82.4 -25.48 33.69 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.829 0.452 . . . . 71.23 111.579 176.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 31.4 mmt -65.77 -33.13 75.17 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.572 0.349 . . . . 71.43 110.322 170.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 27.2 mtpp -68.13 -42.04 80.77 Favored 'General case' 0 C--O 1.207 -1.134 0 CA-C-N 116.028 -0.533 . . . . 71.35 109.981 173.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -52.7 -34.19 51.12 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 123.532 0.733 . . . . 71.35 112.521 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.6 mt -67.26 -37.1 82.92 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.155 0.582 . . . . 74.21 111.415 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.94 -54.27 5.46 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.05 0.94 . . . . 71.13 111.495 -176.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 12.0 mm-40 -60.81 -44.98 96.15 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.11 0.964 . . . . 74.42 110.329 -175.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -95.49 114.5 26.27 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 107.671 -1.233 . . . . 74.15 107.671 175.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -104.45 -49.35 3.58 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.555 0.342 . . . . 62.35 111.812 -174.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -74.22 -14.22 60.9 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 113.434 0.901 . . . . 42.44 113.434 -165.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -73.25 153.67 40.52 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 117.987 0.358 . . . . 74.21 110.051 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.52 171.16 2.7 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.933 0.893 . . . . 73.14 111.942 -177.322 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -63.5 147.74 50.55 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.305 -0.861 . . . . 71.32 112.364 -173.569 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.464 HG23 ' HB2' ' A' ' 28' ' ' GLN . 3.8 mp -111.17 145.07 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 114.82 -1.082 . . . . 72.03 109.638 -166.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.413 HD22 HG21 ' A' ' 22' ' ' VAL . 2.3 tt -107.72 113.73 27.19 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.519 0.727 . . . . 70.33 109.093 173.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.6 mm -96.56 139.18 19.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 108.422 -0.955 . . . . 64.5 108.422 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.6 mt -119.31 152.85 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 107.508 -1.293 . . . . 51.51 107.508 167.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.2 t -150.93 151.27 31.92 Favored 'General case' 0 C--O 1.244 0.777 0 C-N-CA 123.135 0.574 . . . . 75.25 109.919 172.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -72.68 -62.15 1.55 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 114.849 -1.068 . . . . 72.02 110.089 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -102.45 152.25 21.35 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.195 -0.911 . . . . 71.11 110.344 -169.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.569 ' HA ' HD12 ' A' ' 64' ' ' LEU . 64.2 mttp -74.81 -16.75 60.69 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.949 0.9 . . . . 64.41 113.18 -175.139 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -71.01 -37.68 72.65 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.91 0.386 . . . . 73.35 110.421 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.48 HD13 HG12 ' A' ' 32' ' ' VAL . 44.5 mt -67.73 -41.15 83.91 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 115.234 -0.894 . . . . 41.43 108.718 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.608 HD13 HD11 ' A' ' 80' ' ' LEU . 94.8 mt -56.66 -53.21 60.31 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 114.365 -1.289 . . . . 44.15 111.174 175.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -50.47 -48.17 56.72 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 124.447 1.092 . . . . 72.54 111.628 -173.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -61.45 -51.69 67.66 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 123.999 0.812 . . . . 74.43 111.354 175.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 79.0 mtm -61.87 -39.64 92.6 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 123.559 0.537 . . . . 74.11 112.445 -174.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 64.5 mt -56.75 -40.1 75.18 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.148 0.979 . . . . 75.13 111.574 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.74 -32.13 41.07 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 114.992 -1.004 . . . . 65.11 111.006 -176.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 97.2 mt -69.53 -42.65 74.37 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.919 -0.582 . . . . 64.34 110.512 176.114 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.473 HG23 ' HB2' ' A' ' 76' ' ' TYR . 96.7 mt -65.47 -33.3 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.928 0.891 . . . . 64.15 110.465 175.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.3 t -66.0 -43.69 86.99 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.317 -0.856 . . . . 71.31 111.107 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -20.05 59.1 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 111.361 0.134 . . . . 63.32 111.361 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 95.6 mt -74.07 -30.03 62.18 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 109.446 -0.575 . . . . 71.31 109.446 171.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.94 17.31 30.5 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.331 -0.849 . . . . 54.12 112.57 174.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.473 ' HB2' HG23 ' A' ' 71' ' ' ILE . 20.3 m-85 -88.07 166.88 14.12 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.458 0.703 . . . . 71.13 110.748 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.624 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -67.05 114.44 5.83 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.09 -0.959 . . . . 61.41 109.398 174.628 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.7 t -90.55 106.5 17.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 108.38 -0.97 . . . . 74.31 108.38 174.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -119.48 134.78 55.06 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 106.492 -1.67 . . . . 74.15 106.492 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.608 HD11 HD13 ' A' ' 64' ' ' LEU . 58.9 tp -133.95 102.45 5.43 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 109.434 -0.58 . . . . 72.03 109.434 -176.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.2 tp -94.08 112.27 24.08 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 107.753 -1.203 . . . . 74.4 107.753 172.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.525 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 0.8 OUTLIER -113.03 137.33 51.58 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.19 0.45 . . . . 61.13 110.853 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.59 133.69 29.44 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 123.794 0.838 . . . . 73.42 109.441 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.438 ' H ' HD11 ' A' ' 90' ' ' LEU . 3.5 m-20 -154.8 164.41 38.85 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 124.986 1.314 . . . . 50.21 108.246 174.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -81.31 -13.33 58.52 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.539 -0.755 . . . . 63.31 110.143 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -108.17 116.39 31.87 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.768 0.827 . . . . 71.41 108.85 170.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.472 ' HG3' ' HD3' ' A' ' 106' ' ' LYS . 43.1 tt0 -77.27 -23.65 51.16 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.958 0.903 . . . . 75.23 111.663 -177.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -64.2 -40.11 95.4 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 122.699 0.4 . . . . 71.23 110.193 -176.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.63 -37.03 79.41 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.089 0.956 . . . . 72.04 110.949 176.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.438 HD11 ' H ' ' A' ' 84' ' ' ASP . 92.7 mt -62.59 -47.13 85.16 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.883 -0.598 . . . . 63.01 111.111 177.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' HB3' ' NZ ' ' A' ' 106' ' ' LYS . 12.8 pt-20 -82.17 -28.62 31.98 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 118.701 -0.666 . . . . 75.53 112.466 -170.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.67 -42.02 74.74 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 118.314 0.506 . . . . 61.43 110.163 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.472 ' O ' HG12 ' A' ' 97' ' ' ILE . 41.8 t80 -73.25 -43.25 61.47 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 115.898 -0.592 . . . . 55.41 109.788 177.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 56.3 tttp -56.6 -47.11 80.31 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 118.98 -0.533 . . . . 73.14 111.612 178.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -68.02 -26.13 65.73 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 123.276 0.36 . . . . 73.21 111.866 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.456 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -66.38 -48.28 70.65 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.354 -0.61 . . . . 73.11 109.354 170.005 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 93' ' ' PHE . 47.7 mm -67.88 -28.64 42.14 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.163 0 C-N-CA 124.07 0.948 . . . . 74.01 111.808 -177.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 63.4 mm-40 -58.38 -47.87 82.47 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.817 0.847 . . . . 70.14 110.18 167.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.1 t -70.05 -30.87 68.25 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.096 -0.956 . . . . 61.33 110.995 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 87.7 mm-40 -75.91 -20.82 57.7 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.651 0.78 . . . . 74.22 110.317 176.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.79 39.82 10.12 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 123.498 0.499 . . . . 72.01 113.6 173.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -114.34 149.8 35.5 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.272 -0.64 . . . . 72.15 109.272 174.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -67.77 116.15 8.13 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.547 0.739 . . . . 73.51 109.419 175.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.2 p -137.18 126.21 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 123.333 0.653 . . . . 75.21 110.935 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -110.97 144.03 40.71 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.206 1.003 . . . . 72.35 109.238 177.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.474 ' HA ' HD12 ' A' ' 82' ' ' LEU . 32.1 ttmt -111.8 141.44 45.43 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.222 0.609 . . . . 73.55 110.492 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.1 m -144.71 125.59 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.117 0.967 . . . . 64.41 108.897 168.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.5 m -77.75 -29.77 51.23 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 121.532 0.682 . . . . 64.21 109.658 172.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -83.5 135.89 34.49 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 114.993 -1.003 . . . . 54.52 110.224 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.13 -35.31 74.0 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.025 0.93 . . . . 70.12 111.317 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.7 -34.67 74.23 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.333 0.653 . . . . 73.22 111.126 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -74.56 -23.85 58.84 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.213 0.605 . . . . 74.34 111.093 177.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.99 97.89 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.533 0.521 . . . . 74.42 110.319 171.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.472 ' O ' ' HD3' ' A' ' 118' ' ' ARG . 96.1 mt -61.76 -42.19 98.66 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 115.897 -0.592 . . . . 73.13 109.99 175.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -58.46 -48.58 80.28 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.293 0.637 . . . . 73.05 111.361 -176.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.4 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 37.2 mt -71.89 -25.51 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 O-C-N 123.643 0.589 . . . . 61.33 111.608 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 38.0 t -59.19 -48.84 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 122.601 0.36 . . . . 74.22 110.077 170.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.472 ' HD3' ' O ' ' A' ' 114' ' ' LEU . 1.1 mpt_? -69.04 -37.18 78.45 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 116.544 -0.298 . . . . 75.44 110.78 177.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 123' ' ' LYS . 44.2 mt-10 -60.63 -38.02 83.39 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 119.071 -0.49 . . . . 60.41 111.571 175.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -57.27 -31.43 65.59 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.504 0.322 . . . . 75.23 111.021 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.434 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 14.7 mmt -62.45 -26.96 68.79 Favored 'General case' 0 CA--C 1.559 1.327 0 C-N-CA 122.899 0.48 . . . . 62.04 111.805 -178.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -100.41 -29.84 12.17 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 123.255 0.622 . . . . 61.14 111.959 173.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 32.0 mmmt -73.24 -26.62 61.19 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.486 0.714 . . . . 70.21 110.814 -177.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.53 -9.4 58.54 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.063 0.945 . . . . 55.52 110.915 177.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.95 94.45 0.08 OUTLIER Glycine 0 C--N 1.357 1.738 0 N-CA-C 109.551 -1.42 . . . . 65.4 109.551 167.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.0 m -66.39 82.47 0.09 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.471 1.109 . . . . 60.22 111.507 -166.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -73.68 177.72 5.24 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.978 0.911 . . . . 65.13 110.033 176.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -63.58 99.34 0.21 Allowed 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 121.662 0.744 . . . . 64.15 109.531 175.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -76.99 111.04 12.13 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.212 -0.903 . . . . 75.31 109.974 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -71.13 95.34 1.23 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 121.596 0.712 . . . . 71.41 109.118 171.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -151.05 74.79 1.17 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.802 0.81 . . . . 64.31 109.095 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -100.22 -158.55 0.68 Allowed 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 114.942 -1.026 . . . . 64.22 109.835 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -66.8 117.28 8.7 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.551 0.74 . . . . 64.35 110.838 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 30.1 p80 . . . . . 0 CA--C 1.554 1.125 0 C-N-CA 123.326 0.651 . . . . 74.05 109.992 176.184 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 ttm . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 109.945 -0.391 . . . . 60.42 109.945 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -105.58 151.12 24.73 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.386 -0.598 . . . . 74.35 109.386 172.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.63 ' HG3' ' HB3' ' A' ' 77' ' ' LYS . 14.5 mp0 -124.03 149.38 46.14 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.921 0.889 . . . . 62.13 109.16 174.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.494 ' HB2' HG21 ' A' ' 71' ' ' ILE . 4.2 mm? -128.62 112.55 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.512 -0.921 . . . . 73.0 108.512 175.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.4 tt -97.89 122.06 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 108.632 -0.877 . . . . 42.23 108.632 174.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.474 ' HB3' HD22 ' A' ' 64' ' ' LEU . 6.1 mp -105.63 121.36 43.83 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.314 -0.995 . . . . 75.3 108.314 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.683 HG21 HD13 ' A' ' 18' ' ' ILE . 2.2 mp -98.78 138.41 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 108.859 -0.793 . . . . 73.23 108.859 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.591 ' HB2' HD11 ' A' ' 64' ' ' LEU . 59.2 t30 -125.62 129.46 49.68 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 107.176 -1.416 . . . . 75.43 107.176 171.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -146.64 145.0 29.9 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 122.714 0.405 . . . . 61.14 111.045 -176.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.41 ' HB2' ' HA ' ' A' ' 84' ' ' ASP . 24.2 t-20 -82.38 -27.12 32.3 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.198 0.999 . . . . 74.13 110.816 176.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.413 HD22 ' HB2' ' A' ' 14' ' ' LEU . 49.0 t30 -100.97 119.12 38.26 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.644 0.778 . . . . 61.33 110.974 -170.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -68.65 -33.66 74.38 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.908 0.883 . . . . 53.14 111.465 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -63.34 -35.71 81.27 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.569 0.748 . . . . 72.34 109.91 176.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.559 HD13 ' HB3' ' A' ' 110' ' ' ASP . 45.2 tp -70.37 -41.33 73.25 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.527 -0.749 . . . . 62.4 110.236 177.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.535 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 61.0 mt -50.83 -44.91 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 124.007 0.817 . . . . 75.21 110.428 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -61.07 -48.02 83.67 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 124.242 0.964 . . . . 75.23 110.844 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.612 ' HE2' HD11 ' A' ' 114' ' ' LEU . 51.7 mtpt -62.52 -37.19 85.1 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.059 0.944 . . . . 54.13 111.717 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.683 HD13 HG21 ' A' ' 7' ' ' ILE . 95.1 mt -63.08 -48.51 87.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 123.809 0.844 . . . . 73.5 109.054 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 94.5 mttt -50.86 -43.28 59.31 Favored 'General case' 0 C--N 1.361 1.106 0 O-C-N 124.507 1.13 . . . . 61.03 110.736 178.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -71.77 -31.7 66.9 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.058 -0.974 . . . . 54.04 111.814 -177.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.529 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 24.8 mm-40 -66.09 -37.52 85.98 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.645 0.378 . . . . 70.14 110.243 172.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.648 HG21 HD22 ' A' ' 55' ' ' LEU . 20.9 t -70.93 -29.4 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.659 0.784 . . . . 72.41 110.201 178.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 18.2 mm-40 -67.05 -36.43 82.04 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.284 0.633 . . . . 75.24 109.994 173.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -65.58 -29.02 69.57 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.196 0.599 . . . . 74.2 110.409 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 51.2 mm-40 -94.08 -19.92 20.4 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.33 0.652 . . . . 75.52 111.31 -177.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.44 30.09 50.68 Favored Glycine 0 CA--C 1.532 1.144 0 N-CA-C 114.044 0.378 . . . . 64.05 114.044 178.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.416 ' OH ' ' HE2' ' A' ' 53' ' ' LYS . 2.2 m-30 -99.59 168.41 9.97 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.34 0.656 . . . . 65.35 109.888 178.018 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -83.5 114.67 21.65 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.255 0.622 . . . . 73.01 109.936 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.419 HG11 ' HG2' ' A' ' 19' ' ' LYS . 45.2 t -79.22 109.99 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 109.566 -0.531 . . . . 74.43 109.566 172.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -120.34 106.71 12.13 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 108.703 -0.851 . . . . 74.25 108.703 172.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -102.86 140.32 37.29 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.419 0.688 . . . . 54.21 109.403 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.56 HG11 ' HB3' ' A' ' 38' ' ' LEU . 75.8 t -134.6 122.39 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.352 1.061 . . . . 64.14 109.093 -173.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -121.77 9.71 10.15 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.08 0.952 . . . . 74.24 109.923 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -145.33 144.35 30.67 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.437 0.695 . . . . 73.14 110.387 -170.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.0 m -67.46 -30.19 69.84 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.093 0.957 . . . . 51.11 112.849 -174.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 28.8 t70 -78.27 -32.33 49.49 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.115 0.566 . . . . 73.23 110.458 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 32.6 mm-40 -66.79 -38.12 85.9 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 112.232 0.456 . . . . 74.41 112.232 -178.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.56 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.7 pp -65.47 -39.72 92.29 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 111.756 0.28 . . . . 62.45 111.756 -175.276 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 17.7 ptpt -70.24 -26.92 64.06 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 123.349 0.406 . . . . 74.13 110.045 -176.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.472 ' HD3' ' HA ' ' A' ' 37' ' ' GLU . 53.5 mtpt -70.81 -39.97 72.76 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.252 1.021 . . . . 64.34 110.897 173.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 6.2 mm-40 -68.0 -41.31 82.45 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.947 0.499 . . . . 71.55 110.707 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.7 mmt -58.82 -38.51 78.82 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 123.731 0.644 . . . . 72.43 110.75 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 98.6 mttt -60.58 -45.41 94.03 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 123.977 0.798 . . . . 74.14 110.267 177.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -69.31 -22.71 63.77 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.011 0.745 . . . . 63.41 113.011 -176.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.2 mt -70.21 -34.71 73.25 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 122.903 0.481 . . . . 74.23 111.299 175.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.67 -43.14 14.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.201 0.601 . . . . 52.43 110.695 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -59.35 -48.34 82.02 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.164 0.986 . . . . 75.25 110.379 176.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -108.22 99.98 9.34 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.98 0.912 . . . . 74.23 108.779 177.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -105.41 -31.27 9.1 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.619 0.768 . . . . 64.35 111.513 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -85.59 71.72 10.7 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.732 0.813 . . . . 63.04 111.487 -165.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.411 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 1.3 p90 -175.45 -178.02 1.08 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.743 1.217 . . . . 71.05 109.732 175.382 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.29 -175.32 0.34 Allowed 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.624 0.726 . . . . 73.11 111.778 175.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.555 ' H ' ' HD3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -93.37 154.2 18.1 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.561 -0.745 . . . . 61.51 111.649 -168.535 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 54' ' ' ILE . 3.7 mp -107.84 141.69 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 114.44 -1.255 . . . . 53.53 109.348 -168.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.648 HD22 HG21 ' A' ' 22' ' ' VAL . 6.5 tt -103.11 117.45 34.59 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.336 0.654 . . . . 64.44 109.311 177.114 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.1 mm -98.68 139.63 20.17 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 124.108 0.963 . . . . 74.32 109.319 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.1 mt -120.18 141.68 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 N-CA-C 107.48 -1.304 . . . . 74.32 107.48 168.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.7 t -156.89 137.96 13.59 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.666 0.786 . . . . 62.31 109.849 172.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -96.16 13.67 26.55 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.607 0.763 . . . . 61.0 112.33 -171.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -139.48 134.17 31.91 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.855 0.462 . . . . 73.21 110.188 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.586 ' HA ' HD12 ' A' ' 64' ' ' LEU . 70.9 mttt -72.14 -26.75 62.23 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.197 0.999 . . . . 74.15 112.426 -172.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -76.7 -31.85 57.48 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 110.142 -0.318 . . . . 52.32 110.142 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.3 mt -68.24 -46.04 71.58 Favored 'General case' 0 C--N 1.356 0.869 0 N-CA-C 108.965 -0.754 . . . . 61.32 108.965 174.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.591 HD11 ' HB2' ' A' ' 8' ' ' ASN . 91.9 mt -53.5 -52.36 59.84 Favored 'General case' 0 C--N 1.363 1.168 0 CA-C-N 114.562 -1.199 . . . . 51.31 110.062 174.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 14.6 tppt? -57.83 -48.62 79.22 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.351 1.06 . . . . 72.51 111.301 -174.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -55.22 -48.07 74.42 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 123.872 0.732 . . . . 63.01 110.811 177.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 78.9 mtm -63.84 -44.67 92.5 Favored 'General case' 0 CA--C 1.55 0.949 0 O-C-N 123.835 0.71 . . . . 64.01 111.731 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 83.6 mt -54.3 -39.92 67.44 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 124.371 1.068 . . . . 74.22 111.437 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 13.9 mm-40 -73.14 -42.94 62.3 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.862 0.726 . . . . 73.4 110.812 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 98.8 mt -64.22 -42.69 96.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.006 0.522 . . . . 54.41 111.662 -178.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.494 HG21 ' HB2' ' A' ' 4' ' ' LEU . 49.5 mt -66.97 -32.62 58.83 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 124.194 0.998 . . . . 74.21 110.472 177.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.4 t -65.05 -42.99 93.77 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.98 0.912 . . . . 45.51 110.774 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -16.22 43.19 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.743 0.417 . . . . 73.21 111.435 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.5 mt -71.92 -27.24 62.68 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 109.482 -0.562 . . . . 75.0 109.482 168.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.68 12.42 55.71 Favored Glycine 0 C--N 1.346 1.107 0 CA-C-N 115.714 -0.676 . . . . 71.14 112.698 174.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -83.4 156.36 23.0 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 123.273 0.629 . . . . 73.13 109.698 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.63 ' HB3' ' HG3' ' A' ' 3' ' ' GLU . 7.4 ttpm? -83.48 118.33 23.68 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.656 -0.868 . . . . 72.23 108.656 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.403 HG22 HG22 ' A' ' 71' ' ' ILE . 20.5 t -92.62 137.78 21.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 115.405 -0.816 . . . . 71.15 110.745 -169.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -132.36 141.54 48.96 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 107.151 -1.426 . . . . 64.01 107.151 174.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.8 tp -131.22 142.08 50.12 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 107.861 -1.163 . . . . 64.25 107.861 174.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.6 tp -142.29 113.78 7.83 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 106.848 -1.538 . . . . 75.52 106.848 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.414 HD13 ' HD2' ' A' ' 93' ' ' PHE . 2.0 pt? -126.64 143.73 51.13 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.009 0.433 . . . . 63.33 111.183 -176.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.9 149.62 33.6 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.731 1.212 . . . . 64.24 108.388 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.46 ' HB2' HD21 ' A' ' 90' ' ' LEU . 8.5 t70 -163.96 170.81 16.15 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 107.405 -1.331 . . . . 72.42 107.405 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -76.93 -17.54 58.84 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.72 0.408 . . . . 71.02 110.618 174.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -113.6 123.98 51.25 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.303 0.641 . . . . 54.44 109.673 175.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.449 ' HA ' HD12 ' A' ' 90' ' ' LEU . 42.4 tt0 -79.2 -24.88 42.86 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.642 0.777 . . . . 74.35 111.772 -175.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.447 ' HA ' ' HG2' ' A' ' 91' ' ' GLU . 4.6 m-20 -67.04 -39.63 87.0 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 118.115 0.416 . . . . 63.43 110.765 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -58.07 -33.7 69.34 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.801 0.84 . . . . 60.25 112.106 174.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' ' 84' ' ' ASP . 76.5 mt -81.83 -51.03 8.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.844 -1.071 . . . . 63.14 111.634 -175.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.447 ' HG2' ' HA ' ' A' ' 88' ' ' ASN . 13.0 pt-20 -65.89 -30.41 71.01 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.978 0.799 . . . . 64.14 111.172 -171.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.48 -38.89 65.24 Favored 'General case' 0 C--N 1.358 0.937 0 O-C-N 123.624 0.577 . . . . 74.13 110.999 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.537 ' O ' HG12 ' A' ' 97' ' ' ILE . 11.7 t80 -71.62 -48.5 47.58 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 108.877 -0.786 . . . . 63.51 108.877 175.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -54.79 -49.68 70.37 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.687 1.195 . . . . 61.41 112.145 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -25.99 68.26 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 123.758 0.661 . . . . 71.0 111.709 -175.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -72.4 -47.72 47.08 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.869 0.467 . . . . 62.12 110.002 172.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.537 HG12 ' O ' ' A' ' 93' ' ' PHE . 50.8 mm -65.04 -38.07 81.85 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 C-N-CA 123.972 0.909 . . . . 73.05 111.348 -173.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -30.52 65.99 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.657 0.383 . . . . 71.41 111.364 174.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.5 m -70.22 -25.26 63.31 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.54 0.336 . . . . 61.04 110.966 173.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -93.75 9.53 36.72 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.958 0.903 . . . . 73.42 112.035 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.35 23.01 66.4 Favored Glycine 0 C--N 1.352 1.428 0 N-CA-C 114.235 0.454 . . . . 35.31 114.235 170.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.463 ' HB2' HG22 ' A' ' 97' ' ' ILE . 64.7 m-85 -101.6 150.58 22.94 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.002 0.521 . . . . 64.13 109.75 174.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -77.54 121.64 24.16 Favored 'General case' 0 C--N 1.347 0.478 0 N-CA-C 108.142 -1.058 . . . . 73.54 108.142 169.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.0 138.88 43.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 123.342 0.657 . . . . 74.5 110.24 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -129.07 122.97 31.08 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.898 0.879 . . . . 60.22 109.122 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.96 126.78 51.34 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.084 0.953 . . . . 60.21 108.967 177.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.4 m -130.02 179.03 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 123.984 0.914 . . . . 75.1 108.604 172.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.5 m -137.22 -38.6 0.61 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.888 -0.782 . . . . 75.12 108.888 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.472 ' HB3' ' HG2' ' A' ' 111' ' ' GLU . 11.4 m-20 -72.3 137.19 46.53 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.532 -0.758 . . . . 74.51 109.74 176.371 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.559 ' HB3' HD13 ' A' ' 14' ' ' LEU . 6.4 m-20 -59.97 -36.63 77.55 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.496 1.119 . . . . 61.02 111.044 175.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' A' ' 109' ' ' ASP . 13.6 pt-20 -65.29 -45.02 86.09 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.852 0.861 . . . . 74.22 110.815 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -70.19 -23.91 63.04 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.666 0.386 . . . . 63.4 111.107 -178.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -68.18 -47.04 69.04 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.826 0.45 . . . . 72.51 110.523 173.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.612 HD11 ' HE2' ' A' ' 17' ' ' LYS . 83.2 mt -67.18 -29.96 69.78 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.35 0.66 . . . . 74.13 111.224 177.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -71.1 -38.21 72.36 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.237 1.015 . . . . 72.43 111.01 -176.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 20.5 mt -78.84 -22.62 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 C-N-CA 123.519 0.728 . . . . 43.23 111.504 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.466 ' O ' ' HG2' ' A' ' 121' ' ' MET . 88.3 t -50.62 -40.69 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 109.899 -0.408 . . . . 64.32 109.899 166.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -70.87 -42.49 69.98 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.224 0.609 . . . . 74.03 111.191 176.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -54.68 -40.92 69.59 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.0 0.92 . . . . 73.04 111.374 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -58.0 -45.42 86.88 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.058 0.543 . . . . 73.0 111.323 173.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 18.4 mmt -61.56 -21.68 64.51 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 112.974 0.731 . . . . 60.54 112.974 -172.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -95.77 -39.12 10.02 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.468 0.307 . . . . 73.14 110.984 171.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.49 ' HA ' ' HB3' ' A' ' 127' ' ' LEU . 23.7 ttmm -69.7 -26.19 64.24 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.599 0.76 . . . . 74.21 112.015 -174.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.06 -61.33 1.89 Allowed 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.316 -0.856 . . . . 71.43 110.733 -173.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.54 -69.27 1.39 Allowed Glycine 0 C--N 1.348 1.236 0 O-C-N 123.874 0.734 . . . . 62.13 112.442 -177.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.7 t -147.93 107.16 3.88 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.177 0.591 . . . . 61.35 109.907 -176.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.49 ' HB3' ' HA ' ' A' ' 123' ' ' LYS . 36.3 tp -155.91 103.0 2.21 Favored 'General case' 0 C--O 1.245 0.84 0 N-CA-C 107.032 -1.47 . . . . 71.23 107.032 172.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -73.38 89.63 1.63 Allowed 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.028 -0.73 . . . . 73.52 109.028 -177.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -56.54 105.66 0.22 Allowed 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.159 -0.928 . . . . 73.11 111.301 -172.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -73.91 -4.08 32.88 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.836 0.854 . . . . 73.23 111.23 176.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -60.41 98.93 0.07 Allowed 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 107.202 -1.407 . . . . 71.22 107.202 161.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -63.49 -23.38 67.37 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 113.903 1.075 . . . . 73.13 113.903 -163.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -85.83 -68.29 0.74 Allowed 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 109.284 -0.635 . . . . 71.33 109.284 177.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 . . . . . 0 C--O 1.249 1.039 0 N-CA-C 108.674 -0.861 . . . . 73.53 108.674 -177.907 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.9 ttp . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 121.178 0.513 . . . . 60.23 110.058 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 76' ' ' TYR . 21.0 pttm -150.45 139.11 20.68 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 107.313 -1.366 . . . . 74.32 107.313 172.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.59 ' HG2' ' HB3' ' A' ' 77' ' ' LYS . 22.5 mt-10 -71.01 154.66 41.62 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 118.796 0.725 . . . . 63.32 110.936 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.516 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.6 OUTLIER -136.46 110.82 8.47 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 108.452 -0.944 . . . . 53.42 108.452 -177.528 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.5 tt -104.43 135.99 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.457 0.703 . . . . 71.33 109.838 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mp -116.37 128.35 55.44 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.845 -1.169 . . . . 71.55 107.845 174.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 2.4 mp -105.51 142.88 17.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 108.006 -1.109 . . . . 74.32 108.006 175.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.682 ' HB2' HD11 ' A' ' 64' ' ' LEU . 4.7 t-20 -128.13 129.83 47.16 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 107.47 -1.307 . . . . 64.32 107.47 168.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.547 HG23 HG12 ' A' ' 15' ' ' ILE . 1.3 t -145.75 127.65 15.44 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.983 -0.747 . . . . 65.11 108.983 174.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -73.12 -28.52 62.31 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 114.893 -1.049 . . . . 65.13 109.696 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -75.95 111.02 10.89 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.76 1.224 . . . . 72.4 110.592 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.436 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 4.9 m-20 -59.7 -40.81 89.15 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 124.118 0.967 . . . . 71.45 111.509 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.82 -44.83 86.68 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 124.481 1.113 . . . . 73.21 110.206 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.546 HD22 ' HA ' ' A' ' 110' ' ' ASP . 35.9 tp -64.92 -38.65 91.68 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.626 -0.702 . . . . 65.42 110.997 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.547 HG12 HG23 ' A' ' 9' ' ' THR . 50.6 mt -53.39 -51.45 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 109.626 -0.509 . . . . 73.12 109.626 176.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 13.9 mmmm -56.42 -46.88 80.01 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 124.274 0.983 . . . . 71.31 111.05 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.403 ' HE2' HD11 ' A' ' 114' ' ' LEU . 59.1 mtpt -64.08 -46.77 82.81 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 114.793 -1.094 . . . . 74.04 111.388 -175.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 22' ' ' VAL . 64.9 mt -60.31 -49.05 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 124.074 0.859 . . . . 63.22 109.71 178.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 51.4 mtmt -54.22 -49.24 69.89 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 123.755 0.659 . . . . 51.44 111.343 -177.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -67.67 -35.17 78.36 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 123.563 0.54 . . . . 70.04 111.709 -177.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 71.8 mm-40 -58.59 -54.21 49.62 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-O 121.645 0.736 . . . . 62.02 110.369 173.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 18' ' ' ILE . 88.6 t -70.43 -30.28 42.26 Favored 'Isoleucine or valine' 0 C--O 1.247 0.966 0 CA-C-N 114.183 -1.372 . . . . 75.24 112.278 -169.023 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -57.68 -49.15 77.46 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.008 0.523 . . . . 74.03 109.671 170.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -69.58 -24.49 63.69 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.182 0.993 . . . . 72.23 111.535 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 85.2 mm-40 -76.5 -15.37 59.9 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.172 0.589 . . . . 71.43 111.565 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.51 17.87 47.61 Favored Glycine 0 C--N 1.344 0.974 0 O-C-N 123.238 0.336 . . . . 75.21 113.07 177.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.493 ' OH ' ' HA ' ' A' ' 121' ' ' MET . 1.8 m-85 -97.04 159.09 15.11 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.344 0.658 . . . . 72.34 109.673 177.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.426 ' HB2' HG23 ' A' ' 54' ' ' ILE . 22.8 mp0 -86.39 112.75 21.75 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 107.752 -1.203 . . . . 73.24 107.752 176.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.3 t -88.77 110.85 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 109.306 -0.627 . . . . 75.24 109.306 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -123.06 105.68 10.15 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.285 -1.006 . . . . 62.45 108.285 175.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -89.19 151.31 22.24 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.833 -0.803 . . . . 73.24 108.833 177.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.606 HG12 HD13 ' A' ' 63' ' ' LEU . 98.5 t -130.66 121.43 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.655 -0.868 . . . . 61.41 108.655 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -129.32 17.64 5.97 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.76 0.824 . . . . 70.22 110.16 177.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -161.96 151.33 16.0 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.984 0.913 . . . . 70.4 109.971 -175.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.4 m -67.16 -36.6 82.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.956 0.902 . . . . 72.32 112.077 -178.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.506 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 8.1 m-20 -77.54 -20.32 54.34 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 110.007 -0.368 . . . . 72.43 110.007 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 37.3 mm-40 -68.65 -45.73 71.03 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.816 0.446 . . . . 73.04 111.236 170.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.448 ' O ' ' HG2' ' A' ' 42' ' ' MET . 1.2 pp -63.12 -41.27 99.3 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 110.263 -0.273 . . . . 72.34 110.263 -175.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 17.7 ptpt -64.96 -27.34 68.77 Favored 'General case' 0 CA--C 1.554 1.131 0 O-C-N 123.016 0.197 . . . . 52.33 111.43 -176.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -70.16 -55.47 9.3 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.488 0.715 . . . . 71.22 110.392 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 16.7 mm-40 -64.17 -38.14 89.99 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.795 0.838 . . . . 72.13 111.402 -171.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 87.6 mmm -68.27 -32.39 72.52 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.473 0.709 . . . . 75.0 111.504 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 53.1 mtpt -67.78 -43.76 79.03 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 118.901 -0.571 . . . . 75.44 109.941 174.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -53.22 -33.84 54.58 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 123.6 0.76 . . . . 72.12 112.27 -177.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.0 mt -65.61 -38.11 88.51 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.208 1.003 . . . . 62.44 110.931 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.43 -32.82 20.67 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.476 1.11 . . . . 73.44 112.22 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 20.6 mm-40 -73.22 -55.12 6.87 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 108.734 -0.839 . . . . 75.2 108.734 -176.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -83.16 129.48 35.02 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 114.807 -1.088 . . . . 65.31 108.462 174.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -104.1 -56.77 2.14 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.753 0.821 . . . . 75.15 109.957 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -85.17 86.89 7.34 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.838 -0.619 . . . . 72.14 111.176 -174.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -167.5 154.67 8.53 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.324 1.45 . . . . 71.31 108.211 168.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.427 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 13.4 pt-20 -70.15 173.94 6.06 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.235 0.614 . . . . 64.1 111.983 -172.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.484 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -47.75 132.25 14.49 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.13 1.372 . . . . 50.4 112.804 174.324 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.426 HG23 ' HB2' ' A' ' 28' ' ' GLN . 4.0 mp -103.89 146.29 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.109 0.963 . . . . 72.42 109.376 -174.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.406 HD22 HG11 ' A' ' 22' ' ' VAL . 4.9 tt -107.09 112.09 24.85 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 123.339 0.656 . . . . 55.03 109.369 175.102 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.3 mm -96.97 138.73 21.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 N-CA-C 108.135 -1.061 . . . . 60.44 108.135 175.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.4 mt -116.81 152.72 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 107.206 -1.405 . . . . 43.11 107.206 169.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.1 t -146.51 149.49 33.72 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 124.004 0.922 . . . . 54.4 108.726 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -93.7 -6.42 46.29 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.116 0.966 . . . . 72.54 110.596 -178.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -141.79 150.93 42.34 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.427 0.691 . . . . 75.15 111.198 -172.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -85.85 -28.78 24.21 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.187 0.995 . . . . 75.34 112.467 -173.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -65.32 -36.09 82.98 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 109.477 -0.564 . . . . 75.12 109.477 176.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.606 HD13 HG12 ' A' ' 32' ' ' VAL . 75.0 mt -65.5 -45.88 81.86 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.428 0.691 . . . . 42.34 110.009 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' A' ' 8' ' ' ASN . 96.0 mt -50.72 -59.64 3.87 Favored 'General case' 0 C--N 1.37 1.458 0 O-C-N 124.315 1.009 . . . . 74.31 110.43 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.505 ' HA ' HD12 ' A' ' 68' ' ' LEU . 37.3 ttpt -59.92 -41.99 92.95 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 125.051 1.469 . . . . 72.11 110.988 -167.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -54.09 -54.17 43.18 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 124.295 0.997 . . . . 61.23 110.564 173.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.449 ' O ' HG13 ' A' ' 71' ' ' ILE . 78.9 mtm -63.26 -43.22 98.6 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.239 -0.891 . . . . 74.23 111.57 -176.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 65' ' ' LYS . 74.6 mt -54.85 -42.23 71.71 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.259 1.024 . . . . 62.34 111.026 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -66.87 -44.65 80.38 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.754 -1.112 . . . . 72.24 110.726 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.84 -45.06 90.94 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.694 0.797 . . . . 73.35 111.198 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.516 HD13 ' HB3' ' A' ' 4' ' ' LEU . 89.9 mt -59.6 -33.04 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 124.848 1.259 . . . . 62.44 111.79 -178.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.1 t -62.07 -47.07 86.31 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 115.501 -0.772 . . . . 64.24 111.136 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.405 ' HD2' ' H ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -86.92 -7.34 58.28 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 111.73 0.27 . . . . 63.41 111.73 178.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.2 mt -76.95 -31.03 56.3 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 109.888 -0.412 . . . . 74.03 109.888 168.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.99 50.89 2.01 Favored Glycine 0 C--N 1.347 1.171 0 CA-C-N 116.296 -0.411 . . . . 71.11 112.63 175.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.484 ' HB2' HG23 ' A' ' 71' ' ' ILE . 16.7 m-85 -128.38 144.36 51.12 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.846 0.859 . . . . 74.11 109.577 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.59 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . 49.9 tttm -71.63 117.04 12.71 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.053 -0.721 . . . . 71.41 109.053 174.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.43 129.8 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.652 0.781 . . . . 60.02 110.754 -168.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -123.33 149.31 45.03 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 107.872 -1.159 . . . . 73.2 107.872 172.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.409 HD22 HD11 ' A' ' 68' ' ' LEU . 56.1 tp -141.73 143.25 33.42 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 107.738 -1.208 . . . . 45.23 107.738 178.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 35.9 tp -144.2 128.65 17.97 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 105.918 -1.882 . . . . 63.5 105.918 178.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 106' ' ' LYS . 1.3 pp -145.73 149.0 33.6 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.256 0.55 . . . . 64.52 111.832 -174.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.448 ' HB3' HG23 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -150.7 155.76 39.96 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-N 114.291 -1.322 . . . . 74.53 108.988 175.392 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.473 ' HB2' HD21 ' A' ' 90' ' ' LEU . 6.0 t70 -157.74 173.08 17.37 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 107.893 -1.151 . . . . 72.25 107.893 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -60.28 -52.69 64.19 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 109.233 -0.654 . . . . 74.43 109.233 167.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -92.77 119.1 31.8 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.603 -0.726 . . . . 54.44 109.518 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.576 ' HA ' HD12 ' A' ' 90' ' ' LEU . 50.4 tt0 -75.02 -27.49 60.1 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.372 1.069 . . . . 71.43 111.647 -176.392 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.403 ' HA ' ' HG2' ' A' ' 91' ' ' GLU . 19.6 m120 -70.96 -34.28 71.29 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 116.491 -0.322 . . . . 73.34 111.109 -176.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -58.03 -35.47 71.33 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.172 0.589 . . . . 74.23 111.193 172.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 87' ' ' GLU . 80.2 mt -72.31 -47.79 47.16 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.843 -1.072 . . . . 75.52 111.803 -177.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.524 ' HB3' ' HE2' ' A' ' 106' ' ' LYS . 8.4 pt-20 -81.54 -25.31 35.99 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 123.425 0.453 . . . . 74.21 112.134 -173.187 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -74.92 -30.41 61.25 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 117.883 0.31 . . . . 72.2 110.39 171.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -71.49 -39.77 70.65 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 122.376 0.27 . . . . 71.23 110.524 168.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.646 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 28.4 ttpp -65.73 -42.32 91.19 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.459 0.704 . . . . 74.03 111.862 -173.058 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -57.8 -27.19 62.9 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.033 0.533 . . . . 72.11 111.755 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.12 -34.94 59.48 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.411 1.084 . . . . 64.03 110.496 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.414 HG22 ' HB2' ' A' ' 102' ' ' TYR . 32.9 mm -78.1 -41.01 26.68 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 C-N-CA 124.531 1.132 . . . . 74.12 111.086 -177.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.44 -31.28 72.43 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.576 1.15 . . . . 74.31 111.505 173.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.3 t -63.34 -37.55 87.68 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 123.806 0.691 . . . . 75.0 110.723 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -80.19 -21.49 42.92 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.723 0.809 . . . . 51.54 110.898 175.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.34 33.8 7.87 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 116.385 -0.37 . . . . 64.31 113.485 172.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.414 ' HB2' HG22 ' A' ' 97' ' ' ILE . 20.7 m-85 -94.91 143.09 26.75 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.729 -0.471 . . . . 75.25 109.729 176.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -75.22 92.56 2.73 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.572 0.749 . . . . 74.52 110.02 -175.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 p -110.32 138.85 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.704 0.802 . . . . 73.31 111.369 -172.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -123.01 118.95 28.96 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.401 1.081 . . . . 62.12 108.948 177.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.646 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 1.3 tmmt? -103.3 124.23 48.26 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.186 0.994 . . . . 62.24 109.373 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.448 HG23 ' HB3' ' A' ' 83' ' ' GLN . 33.7 m -128.82 156.74 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 108.281 -1.007 . . . . 51.32 108.281 178.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.0 m -86.8 -62.67 1.45 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 109.117 -0.697 . . . . 63.4 109.117 176.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -95.39 169.22 10.21 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.051 1.13 . . . . 75.3 114.051 -167.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.546 ' HA ' HD22 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -59.23 -54.3 48.49 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 112.264 -2.244 . . . . 64.24 112.225 -175.445 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.38 -32.3 71.18 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.514 0.726 . . . . 72.35 111.957 -175.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.684 ' HA ' ' HE2' ' A' ' 115' ' ' LYS . 44.6 mt-10 -70.66 -33.44 70.96 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 123.569 0.748 . . . . 73.02 111.238 -176.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -69.07 -40.0 78.74 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.805 -0.634 . . . . 75.12 110.183 174.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.403 HD11 ' HE2' ' A' ' 17' ' ' LYS . 97.9 mt -64.32 -33.58 76.16 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.277 0.631 . . . . 65.45 110.93 -178.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.684 ' HE2' ' HA ' ' A' ' 112' ' ' GLU . 51.3 mtmt -57.96 -59.0 5.93 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 123.906 0.754 . . . . 75.04 110.093 175.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 44.8 mt -70.76 -25.63 26.65 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 123.845 0.858 . . . . 44.21 111.769 -170.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 113' ' ' ALA . 43.8 t -59.36 -51.78 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.207 0.603 . . . . 50.53 109.518 169.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -70.0 -38.66 76.05 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.738 -0.664 . . . . 73.13 111.3 -178.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.48 -33.37 75.73 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.262 0.625 . . . . 71.51 111.708 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.454 ' HA ' ' HB2' ' A' ' 123' ' ' LYS . 91.0 t80 -64.47 -30.36 71.39 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.563 0.345 . . . . 75.54 110.557 176.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.493 ' HA ' ' OH ' ' A' ' 27' ' ' TYR . 21.9 mmt -58.44 -31.25 67.58 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 123.563 0.539 . . . . 54.44 111.624 -178.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -100.11 -21.23 15.65 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 123.253 0.621 . . . . 74.23 112.035 175.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.454 ' HB2' ' HA ' ' A' ' 120' ' ' PHE . 71.0 mmtt -63.47 -54.86 29.82 Favored 'General case' 0 N--CA 1.501 2.099 0 CA-C-N 118.323 0.51 . . . . 54.13 110.578 175.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 120' ' ' PHE . . . -68.37 -37.54 80.54 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.093 -0.958 . . . . 64.34 111.507 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.25 -21.98 68.76 Favored Glycine 0 C--N 1.35 1.326 0 CA-C-N 114.788 -1.096 . . . . 42.33 113.0 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.3 t -95.33 -40.74 9.37 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.615 0.766 . . . . 74.33 110.587 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 28.9 tp 57.72 46.59 17.02 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-O 122.775 1.274 . . . . 73.41 108.86 -167.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.47 13.06 1.04 Allowed 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 115.306 1.595 . . . . 72.13 115.306 -164.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -64.31 -46.16 84.79 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 107.622 -1.251 . . . . 71.13 107.622 165.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -168.24 118.07 0.77 Allowed 'General case' 0 C--O 1.24 0.59 0 C-N-CA 125.756 1.622 . . . . 65.24 106.677 161.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -60.69 -36.78 79.62 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 124.053 0.845 . . . . 70.35 110.026 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -72.59 76.78 1.08 Allowed 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 107.989 -1.115 . . . . 64.15 107.989 166.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -90.77 85.24 5.98 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 114.816 -1.084 . . . . 74.02 108.994 -175.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 12.5 p80 . . . . . 0 CA--C 1.561 1.368 0 CA-C-N 114.48 -1.236 . . . . 73.12 110.179 -176.413 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.1 ptm . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 119.138 -0.458 . . . . 74.52 110.979 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -179.19 106.66 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 108.944 -0.761 . . . . 63.44 108.944 -172.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.447 ' HG3' ' HB3' ' A' ' 77' ' ' LYS . 3.2 mp0 -110.98 124.93 53.11 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 108.287 -1.005 . . . . 75.02 108.287 172.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.426 HD11 HD22 ' A' ' 45' ' ' LEU . 3.8 mm? -105.66 130.45 53.68 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 109.816 -0.439 . . . . 45.41 109.816 -174.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.0 tt -117.34 115.32 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.571 -0.899 . . . . 50.44 108.571 178.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 mp -104.91 121.11 43.02 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.467 -0.938 . . . . 72.04 108.467 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.583 HG21 HD13 ' A' ' 18' ' ' ILE . 2.1 mp -99.72 129.74 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 108.735 -0.839 . . . . 61.33 108.735 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.634 ' HB2' HD11 ' A' ' 64' ' ' LEU . 4.4 t-20 -110.7 114.23 27.45 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 108.406 -0.961 . . . . 75.32 108.406 173.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.462 HG22 HG22 ' A' ' 7' ' ' ILE . 1.5 t -145.89 132.1 19.46 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.688 0.795 . . . . 71.51 109.937 -178.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -102.5 15.31 29.6 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.337 0.655 . . . . 61.31 111.55 175.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.458 ' O ' HG13 ' A' ' 15' ' ' ILE . 39.2 t30 -113.9 109.32 18.32 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 109.115 -0.698 . . . . 75.33 109.115 174.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -52.21 -42.52 63.6 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.891 1.276 . . . . 71.13 111.54 177.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -63.36 -39.56 94.88 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 115.128 -0.942 . . . . 64.22 111.361 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.3 tp -69.13 -37.75 78.49 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 119.057 -0.497 . . . . 73.35 110.417 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.524 HG22 ' HE3' ' A' ' 19' ' ' LYS . 24.9 mt -57.42 -40.0 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 123.623 0.577 . . . . 62.22 109.909 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -62.3 -47.05 86.02 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 115.415 -0.811 . . . . 74.24 111.105 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -66.36 -36.47 82.97 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.646 0.778 . . . . 64.53 111.354 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.583 HD13 HG21 ' A' ' 7' ' ' ILE . 87.6 mt -62.76 -51.02 77.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 CA-C-N 115.052 -0.977 . . . . 74.31 108.964 175.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.614 ' HE2' HG11 ' A' ' 29' ' ' VAL . 91.0 mttt -58.21 -33.3 69.15 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.365 0.666 . . . . 54.32 111.984 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 10.3 mmpt? -62.12 -48.01 82.04 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.573 0.545 . . . . 71.02 109.998 174.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 50.8 mm-40 -60.36 -47.06 87.69 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.961 0.788 . . . . 75.43 111.973 175.287 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 18' ' ' ILE . 44.8 t -58.91 -36.53 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 123.681 0.792 . . . . 70.01 110.676 -176.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.94 -44.81 79.65 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.256 -0.883 . . . . 72.35 111.134 174.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -61.55 -30.77 70.86 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 123.757 0.823 . . . . 72.32 110.966 177.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 12.4 mm100 -84.34 -25.42 29.22 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.902 0.881 . . . . 73.15 110.414 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.15 26.34 19.07 Favored Glycine 0 C--N 1.354 1.54 0 C-N-CA 123.106 0.384 . . . . 55.34 113.662 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -106.24 159.1 16.37 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.98 0.912 . . . . 72.22 110.047 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -95.04 128.72 42.08 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.71 0.804 . . . . 61.33 109.58 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.614 HG11 ' HE2' ' A' ' 19' ' ' LYS . 25.5 t -86.91 124.51 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.195 0.598 . . . . 62.33 109.602 175.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -124.26 111.55 15.97 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 108.35 -0.981 . . . . 72.41 108.35 170.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -86.4 147.05 26.19 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.32 1.048 . . . . 71.45 111.351 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.466 HG12 HD13 ' A' ' 63' ' ' LEU . 94.1 t -132.79 121.4 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.339 1.056 . . . . 61.04 108.819 177.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -132.52 7.73 4.18 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.48 0.712 . . . . 72.21 110.352 173.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.477 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 10.4 t70 -144.95 148.56 33.95 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.962 0.505 . . . . 51.41 109.842 -177.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.497 ' HA ' HD23 ' A' ' 38' ' ' LEU . 19.6 p -73.9 -17.37 61.04 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.742 0.817 . . . . 75.54 112.868 -175.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 13.7 t70 -77.49 -41.8 38.06 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.351 0.66 . . . . 63.24 109.731 173.173 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.477 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 14.1 mm-40 -59.23 -43.47 92.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.684 0.793 . . . . 72.33 112.236 -175.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 35' ' ' SER . 3.2 pp -61.61 -41.98 98.23 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 123.938 0.774 . . . . 75.31 112.12 -168.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 18.9 ptpt -65.37 -35.52 81.22 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.406 0.441 . . . . 75.23 110.555 -176.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 44.5 mtpt -70.91 -36.55 72.74 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.585 1.154 . . . . 51.04 110.79 -178.232 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -68.66 -41.0 79.94 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.659 0.6 . . . . 73.13 109.81 176.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.513 ' SD ' HG13 ' A' ' 71' ' ' ILE . 31.6 mmt -62.76 -38.7 91.61 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.339 0.656 . . . . 60.15 110.896 177.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -65.94 -38.2 88.01 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.352 -0.386 . . . . 72.23 110.839 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 46.6 mmtm -60.25 -32.85 71.54 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 123.268 0.627 . . . . 62.04 112.326 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.426 HD22 HD11 ' A' ' 4' ' ' LEU . 23.2 mt -62.34 -33.47 74.76 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.986 0.804 . . . . 73.42 110.285 175.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.54 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -93.17 -23.39 18.59 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.911 1.284 . . . . 64.04 112.737 -177.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -63.58 -55.69 21.78 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 118.059 0.391 . . . . 60.41 111.125 -173.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.18 156.73 21.93 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 122.889 0.475 . . . . 72.13 110.635 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -103.24 -41.36 6.08 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.703 0.801 . . . . 63.53 112.544 -175.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -126.21 86.55 2.54 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.976 0.51 . . . . 75.31 110.584 -169.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -162.36 163.26 27.96 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-N 115.205 -0.907 . . . . 70.24 109.239 -178.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.22 178.73 5.56 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.665 0.745 . . . . 63.2 111.474 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.44 ' HD2' ' HB2' ' A' ' 3' ' ' GLU . 17.3 pttt -89.37 150.54 22.5 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 114.854 -1.066 . . . . 74.33 111.919 -176.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.8 mp -105.31 138.26 31.1 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-N 114.668 -1.151 . . . . 73.03 109.398 -173.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.45 HD13 HG22 ' A' ' 22' ' ' VAL . 6.5 tt -90.8 121.22 32.48 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.983 -0.747 . . . . 65.45 108.983 172.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.2 mm -98.63 137.82 25.01 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 123.802 0.841 . . . . 61.32 108.762 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.1 mt -119.53 134.01 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 N-CA-C 107.271 -1.381 . . . . 72.43 107.271 166.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.9 t -133.07 143.97 49.69 Favored 'General case' 0 C--O 1.243 0.735 0 C-N-CA 123.271 0.629 . . . . 52.15 110.018 177.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -77.77 -33.29 52.78 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.061 0.944 . . . . 74.1 111.238 -177.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -121.16 151.61 39.72 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.518 0.727 . . . . 51.35 111.743 -168.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.419 ' HA ' HD12 ' A' ' 64' ' ' LEU . 61.2 mttp -80.03 -34.12 38.6 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.451 1.101 . . . . 73.41 112.89 -174.593 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.53 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 49.8 mt-30 -64.77 -33.08 75.12 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 110.023 -0.362 . . . . 73.34 110.023 178.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.466 HD13 HG12 ' A' ' 32' ' ' VAL . 68.6 mt -68.15 -38.97 82.72 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 123.983 0.802 . . . . 74.52 110.721 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.634 HD11 ' HB2' ' A' ' 8' ' ' ASN . 89.1 mt -55.32 -56.35 21.12 Favored 'General case' 0 C--N 1.36 1.047 0 O-C-N 124.313 1.008 . . . . 64.32 110.539 178.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -58.97 -39.49 81.89 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 124.48 1.113 . . . . 51.41 111.71 -172.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 16.1 mm-40 -56.54 -49.92 73.4 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 124.228 0.955 . . . . 73.32 110.901 173.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 74.7 mtm -63.42 -40.43 97.15 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.762 -0.653 . . . . 53.41 111.677 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.566 HD11 HD22 ' A' ' 80' ' ' LEU . 60.7 mt -57.47 -45.22 85.04 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.353 0.661 . . . . 72.44 111.707 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -76.55 -29.52 56.73 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.629 -0.714 . . . . 75.4 111.127 -177.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.573 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 81.0 mt -70.31 -42.98 71.27 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 123.099 0.249 . . . . 75.52 111.016 174.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.513 HG13 ' SD ' ' A' ' 42' ' ' MET . 71.4 mt -64.57 -33.11 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 C-N-CA 123.674 0.79 . . . . 54.24 110.155 176.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.1 t -67.76 -41.2 83.68 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.058 -0.974 . . . . 54.51 111.018 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 14.6 ptmm? -77.43 -24.65 50.35 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 116.857 -0.156 . . . . 70.22 110.914 177.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 98.2 mt -66.93 -28.42 68.28 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 122.808 0.443 . . . . 74.22 109.872 170.239 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.78 23.28 21.27 Favored Glycine 0 C--N 1.348 1.205 0 CA-C-N 115.512 -0.767 . . . . 14.12 113.212 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -100.46 170.51 8.35 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.672 0.789 . . . . 72.12 111.068 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.564 ' HE3' HD11 ' A' ' 127' ' ' LEU . 11.6 ttmm -69.25 128.45 36.64 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 109.577 -0.527 . . . . 70.13 109.577 170.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.3 t -100.4 108.36 22.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.658 0 CA-C-N 115.061 -0.972 . . . . 53.22 109.101 174.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -115.12 137.09 52.41 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.01 -1.107 . . . . 55.34 108.01 172.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.576 HD11 HD13 ' A' ' 64' ' ' LEU . 57.3 tp -131.03 149.27 52.69 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.424 1.09 . . . . 73.33 108.769 -178.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.556 HD23 HG13 ' A' ' 7' ' ' ILE . 41.0 tp -138.6 135.24 34.74 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.461 -1.681 . . . . 73.43 106.461 176.02 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.562 HD13 ' HB3' ' A' ' 90' ' ' LEU . 0.6 OUTLIER -136.55 142.23 43.4 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 122.79 0.436 . . . . 74.3 110.778 175.281 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.78 146.6 34.41 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 124.353 1.061 . . . . 75.2 109.069 178.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -157.51 165.54 35.35 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 125.239 1.416 . . . . 75.44 107.677 167.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -75.45 -17.07 60.25 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.877 -0.601 . . . . 73.22 109.725 168.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -104.02 109.09 20.73 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.269 1.028 . . . . 74.2 108.499 171.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -75.01 -21.66 58.97 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.796 0.838 . . . . 60.41 111.958 -175.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -75.46 -28.08 59.15 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.633 0.373 . . . . 74.51 111.418 -176.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -59.06 -36.04 74.37 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.565 0.697 . . . . 63.55 111.019 170.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.562 ' HB3' HD13 ' A' ' 82' ' ' LEU . 79.2 mt -75.32 -50.22 16.68 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 114.328 -1.306 . . . . 62.14 111.594 -172.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -73.49 -27.67 61.51 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.315 0.858 . . . . 72.05 113.315 -170.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.68 -39.62 73.4 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 118.024 0.374 . . . . 71.0 110.783 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.488 ' O ' HG12 ' A' ' 97' ' ' ILE . 57.1 t80 -73.79 -42.18 61.35 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.698 0.399 . . . . 64.51 110.167 174.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.447 ' HD2' ' HB2' ' A' ' 106' ' ' LYS . 62.3 tttp -60.3 -44.8 95.1 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.695 0.798 . . . . 64.14 111.578 -175.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -62.09 -27.96 69.28 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 123.643 0.589 . . . . 71.53 111.795 -178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -71.75 -42.53 67.1 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.216 0.606 . . . . 54.14 109.963 174.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 93' ' ' PHE . 30.6 mm -69.6 -30.35 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 C-N-CA 123.76 0.824 . . . . 70.42 110.834 -178.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 56.2 mm-40 -57.87 -47.43 82.77 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.354 0.662 . . . . 65.32 110.372 168.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.9 m -69.36 -31.09 69.29 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.971 0.908 . . . . 61.31 111.715 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -73.73 -23.54 59.78 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.421 0.688 . . . . 55.34 110.007 173.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.27 44.74 6.12 Favored Glycine 0 C--N 1.349 1.253 0 CA-C-N 115.826 -0.625 . . . . 74.14 112.859 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -117.75 142.61 47.07 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.583 0.753 . . . . 40.55 109.82 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -78.91 88.53 4.71 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.087 0.955 . . . . 63.24 110.894 -174.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 p -105.73 140.19 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.628 0.771 . . . . 64.34 111.129 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -111.6 136.4 50.85 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.658 0.783 . . . . 74.25 109.48 175.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 82' ' ' LEU . 29.9 ttmt -102.17 128.95 48.45 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.261 0.625 . . . . 75.4 109.366 175.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.426 ' HB ' ' HB2' ' A' ' 112' ' ' GLU . 34.3 m -136.02 144.57 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 109.316 -0.624 . . . . 62.44 109.316 175.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.0 m -102.3 -37.62 7.99 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.738 0.815 . . . . 73.22 110.086 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -100.17 155.68 17.62 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.047 -0.978 . . . . 53.13 111.406 -171.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -48.59 -54.33 14.97 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.847 1.659 . . . . 73.45 111.762 170.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 11.2 pt-20 -56.93 -42.61 80.31 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 124.324 1.015 . . . . 74.14 111.464 -174.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.482 ' O ' HG12 ' A' ' 116' ' ' ILE . 45.5 mt-10 -66.33 -39.09 89.01 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 123.985 0.803 . . . . 63.44 110.69 -175.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.19 -42.29 96.73 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.755 0.659 . . . . 72.35 111.104 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.45 -36.03 82.85 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.782 0.833 . . . . 75.34 110.557 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 98.0 mttt -65.84 -45.8 80.88 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 115.205 -0.907 . . . . 63.23 110.615 177.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 112' ' ' GLU . 50.6 mm -65.66 -32.92 60.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 C-N-CA 122.899 0.48 . . . . 71.3 111.74 -175.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.505 ' O ' ' HG2' ' A' ' 121' ' ' MET . 85.3 t -53.44 -51.49 41.09 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 O-C-N 123.621 0.575 . . . . 72.15 109.474 170.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -69.72 -40.64 76.11 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.105 0.962 . . . . 71.34 111.555 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 47.8 mm-40 -56.72 -42.03 78.46 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.313 1.045 . . . . 63.04 111.239 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -63.04 -41.73 99.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.507 0.723 . . . . 63.22 111.156 176.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 14.8 mmt -64.55 -24.26 67.54 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 112.37 0.507 . . . . 74.33 112.37 -171.514 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -91.25 -54.48 3.91 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 109.577 -0.527 . . . . 70.41 109.577 168.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -60.02 -29.8 68.74 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 123.878 0.871 . . . . 73.44 112.927 -166.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.03 -40.9 97.33 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.707 0.803 . . . . 63.23 111.246 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -101.11 -6.95 50.93 Favored Glycine 0 C--N 1.348 1.237 0 CA-C-N 115.653 -0.703 . . . . 71.14 113.097 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 49.9 m -103.44 16.71 25.8 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.874 0.87 . . . . 74.02 111.565 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.564 HD11 ' HE3' ' A' ' 77' ' ' LYS . 84.1 mt -67.19 123.56 20.63 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.16 -1.052 . . . . 70.34 108.16 166.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -54.5 141.42 31.15 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.837 0.855 . . . . 62.14 111.291 -177.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -65.65 82.89 0.06 Allowed 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 108.268 -1.012 . . . . 71.33 108.268 173.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -176.13 -28.88 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 114.482 -1.236 . . . . 70.54 109.649 -160.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -62.94 141.11 58.85 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.086 0.554 . . . . 64.41 110.41 172.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -81.18 142.01 33.64 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.405 0.682 . . . . 71.4 112.193 -173.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -138.61 3.63 2.31 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.973 0.909 . . . . 72.21 109.881 165.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 . . . . . 0 C--O 1.25 1.129 0 N-CA-C 109.13 -0.693 . . . . 75.13 109.13 177.277 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 mmt . . . . . 0 N--CA 1.473 0.683 0 N-CA-C 109.121 -0.696 . . . . 71.34 109.121 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -130.11 102.53 6.29 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 106.171 -1.789 . . . . 71.55 106.171 173.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 2.2 mp0 -89.04 136.97 32.73 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.429 -0.805 . . . . 53.23 110.472 -172.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.497 ' HB2' HG21 ' A' ' 71' ' ' ILE . 4.5 mm? -118.84 111.37 18.34 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 106.548 -1.649 . . . . 61.42 106.548 174.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.417 HG13 ' HD1' ' A' ' 79' ' ' PHE . 3.2 tt -105.5 120.13 55.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.865 0.866 . . . . 52.43 108.759 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mp -101.63 123.6 45.89 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.408 -0.96 . . . . 75.34 108.408 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.432 HG21 HD13 ' A' ' 18' ' ' ILE . 2.3 mp -100.8 119.15 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 108.577 -0.898 . . . . 54.23 108.577 177.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.487 ' HB2' HD11 ' A' ' 64' ' ' LEU . 52.4 t30 -96.21 118.61 33.13 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 107.2 -1.407 . . . . 71.41 107.2 169.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.447 HG23 HG12 ' A' ' 15' ' ' ILE . 1.8 t -144.44 136.65 26.33 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.279 0.632 . . . . 64.12 109.575 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -96.54 -11.3 25.63 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 114.962 -1.017 . . . . 75.24 110.839 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.407 ' O ' HG13 ' A' ' 15' ' ' ILE . 56.0 t30 -97.96 114.68 26.87 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.052 0.941 . . . . 70.33 109.847 -172.192 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.79 -43.79 92.07 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.641 1.176 . . . . 75.31 112.431 -170.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 9.0 pt-20 -63.37 -37.86 88.92 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.886 -0.597 . . . . 73.14 110.519 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' HG13 ' A' ' 18' ' ' ILE . 47.4 tp -63.34 -42.47 98.95 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 123.82 0.7 . . . . 75.13 110.352 178.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.599 HG23 HG21 ' A' ' 57' ' ' ILE . 50.1 mt -53.23 -49.95 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 123.307 0.643 . . . . 74.32 110.222 177.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 59.9 mttp -59.68 -46.6 88.57 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.856 -1.065 . . . . 75.3 111.468 -178.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 60.3 mtpt -63.43 -40.9 98.42 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.008 -0.996 . . . . 60.53 111.176 -176.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.534 ' O ' HG23 ' A' ' 22' ' ' VAL . 80.9 mt -61.33 -49.09 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 123.865 0.728 . . . . 64.12 109.141 176.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HE3' HG22 ' A' ' 15' ' ' ILE . 98.8 mttt -50.61 -46.91 58.3 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 123.915 0.759 . . . . 71.33 111.109 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 10.1 mmpt? -62.06 -46.37 89.44 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.541 0.736 . . . . 73.44 111.275 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 13.1 mm-40 -61.37 -44.18 97.61 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.391 0.676 . . . . 70.15 111.542 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 18' ' ' ILE . 78.9 t -68.26 -33.65 61.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 C-N-CA 124.291 1.036 . . . . 43.12 111.15 -177.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -68.97 -37.09 78.59 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.391 0.676 . . . . 73.43 110.558 174.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -63.32 -38.03 89.59 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.312 0.645 . . . . 41.54 110.338 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 13.9 mm-40 -80.79 -14.3 58.2 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 115.18 -0.918 . . . . 74.51 111.474 -179.05 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.17 28.7 33.03 Favored Glycine 0 C--N 1.353 1.475 0 N-CA-C 114.199 0.44 . . . . 73.33 114.199 172.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 1.4 m-85 -96.26 159.75 14.79 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.163 0.585 . . . . 74.41 109.457 175.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -79.82 114.1 18.48 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.377 -0.972 . . . . 72.31 108.377 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.77 104.78 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 109.438 -0.579 . . . . 72.2 109.438 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -100.89 129.71 46.79 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 107.51 -1.293 . . . . 62.23 107.51 169.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -122.56 115.89 22.93 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.638 0.732 . . . . 54.12 109.745 176.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.617 HG11 ' HB3' ' A' ' 38' ' ' LEU . 87.5 t -109.51 120.83 61.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 125.133 1.373 . . . . 70.3 108.304 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -103.12 -19.64 14.46 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.094 0.557 . . . . 74.35 109.814 176.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -150.57 154.46 37.6 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.238 1.015 . . . . 61.24 110.068 -175.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.8 p -65.62 -17.48 64.62 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 113.757 1.021 . . . . 70.33 113.757 -173.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.434 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 26.7 t70 -69.76 -22.72 63.33 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.995 0.518 . . . . 65.2 110.614 177.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' HB2' HG13 ' A' ' 32' ' ' VAL . 40.4 mt-10 -83.45 -46.42 12.52 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 124.183 0.993 . . . . 61.11 111.608 177.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.617 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.8 pp -65.59 -34.75 78.96 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 123.062 0.226 . . . . 52.21 111.495 -172.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 18.7 ptpt -60.6 -27.92 68.1 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.656 0.382 . . . . 73.12 111.667 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -83.07 -48.57 10.45 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.172 0.989 . . . . 71.04 111.248 -177.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.59 -24.71 38.96 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.92 -0.582 . . . . 71.44 111.573 -173.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.7 mmt -63.08 -33.91 76.47 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.397 0.679 . . . . 51.45 111.606 171.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 66.2 mttm -58.19 -50.45 73.49 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.748 -0.834 . . . . 63.43 108.748 171.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -63.66 -34.18 77.28 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 115.018 -0.992 . . . . 73.51 112.268 -177.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.0 mt -65.14 -36.71 85.1 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.061 0.544 . . . . 71.4 111.08 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.78 -39.89 26.03 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.598 0.759 . . . . 71.1 111.319 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 30.3 mm-40 -66.31 -55.64 15.03 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.766 0.826 . . . . 75.3 110.147 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -73.61 86.61 1.62 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 107.502 -1.296 . . . . 64.2 107.502 174.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -82.74 -62.04 1.71 Allowed 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.28 -0.873 . . . . 71.43 108.879 -174.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -86.37 94.83 9.47 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.826 -1.079 . . . . 64.13 110.222 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.498 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -172.46 -179.52 2.24 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.925 1.29 . . . . 72.44 108.736 165.815 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.27 164.97 12.38 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.461 0.648 . . . . 72.23 111.894 179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 32.0 pttt -81.92 159.85 23.54 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.007 -0.997 . . . . 70.24 112.165 -172.016 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.498 HD11 ' CZ ' ' A' ' 51' ' ' PHE . 4.1 mp -120.31 149.0 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 114.527 -1.215 . . . . 53.53 109.257 -166.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.497 HD22 HG21 ' A' ' 22' ' ' VAL . 5.8 tt -112.92 122.9 49.02 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.972 0.909 . . . . 73.21 108.953 174.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.2 mm -99.03 136.8 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 N-CA-C 108.121 -1.066 . . . . 53.45 108.121 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.599 HG21 HG23 ' A' ' 15' ' ' ILE . 67.1 mt -116.47 122.45 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 106.175 -1.787 . . . . 73.11 106.175 166.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 27.7 t -128.2 116.63 20.19 Favored 'General case' 0 C--O 1.242 0.671 0 N-CA-C 108.957 -0.757 . . . . 74.13 108.957 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -65.74 -55.93 14.7 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.82 -1.082 . . . . 74.41 110.532 -178.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.49 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 10.5 t70 -83.5 145.29 29.0 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 115.903 -0.59 . . . . 64.24 109.766 -174.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -88.37 -22.65 23.69 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.654 0.983 . . . . 75.24 113.654 -167.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -68.36 -27.67 66.45 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 109.373 -0.603 . . . . 72.53 109.373 175.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.492 HD13 HG12 ' A' ' 32' ' ' VAL . 21.7 mt -68.61 -44.16 74.87 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 114.834 -1.076 . . . . 64.21 109.59 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 8' ' ' ASN . 68.1 mt -53.31 -59.79 4.12 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.874 1.358 . . . . 62.01 110.221 177.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -49.25 -46.98 46.83 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 124.511 1.132 . . . . 55.35 111.935 -175.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -63.0 -54.03 44.74 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.597 -0.729 . . . . 74.42 112.107 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 77.1 mtm -65.88 -40.72 91.87 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.202 0.601 . . . . 71.22 112.516 -172.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 63.9 mt -49.37 -43.56 44.12 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.262 1.025 . . . . 73.23 111.21 175.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -83.3 -27.22 29.96 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 115.237 -0.892 . . . . 54.0 112.131 -176.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 94.8 mt -63.79 -51.32 65.33 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.178 0.591 . . . . 72.53 110.277 172.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.497 HG21 ' HB2' ' A' ' 4' ' ' LEU . 75.4 mt -60.86 -36.27 70.47 Favored 'Isoleucine or valine' 0 C--O 1.247 0.969 0 C-N-CA 124.953 1.301 . . . . 73.13 111.189 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -62.79 -45.62 91.81 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 115.478 -0.783 . . . . 72.53 110.747 177.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -12.64 57.52 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.807 0.443 . . . . 63.32 111.881 -179.097 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 93.0 mt -71.05 -32.41 69.1 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 108.632 -0.877 . . . . 64.33 108.632 165.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.6 9.99 34.22 Favored Glycine 0 C--N 1.341 0.842 0 CA-C-N 115.006 -0.997 . . . . 75.04 112.218 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.479 ' HB2' HG23 ' A' ' 71' ' ' ILE . 16.4 m-85 -88.38 152.0 22.21 Favored 'General case' 0 C--O 1.245 0.825 0 C-N-CA 123.619 0.768 . . . . 71.34 109.536 176.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -73.18 137.42 45.06 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.294 -0.632 . . . . 71.34 109.294 175.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.1 t -107.42 134.78 48.15 Favored 'Isoleucine or valine' 0 C--O 1.244 0.799 0 C-N-CA 124.122 0.969 . . . . 63.11 109.933 -178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.417 ' HD1' HG13 ' A' ' 5' ' ' ILE . 56.1 t80 -134.09 146.69 50.52 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 107.432 -1.322 . . . . 63.51 107.432 170.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 55.6 tp -129.79 140.76 50.98 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 108.481 -0.933 . . . . 65.23 108.481 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.3 tp -136.79 112.88 9.73 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 106.429 -1.693 . . . . 74.55 106.429 174.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -119.72 151.03 39.41 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.212 0.605 . . . . 64.51 111.349 -172.67 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.486 ' HA ' HD21 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -145.89 109.53 4.78 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 107.808 -1.182 . . . . 72.13 107.808 172.607 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -104.08 154.35 19.82 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 108.228 -1.027 . . . . 72.42 108.228 169.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -70.56 -30.47 67.19 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.909 -0.587 . . . . 74.35 109.489 169.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -89.39 105.3 17.7 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.652 0.781 . . . . 65.21 109.236 173.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.486 ' HA ' HD13 ' A' ' 90' ' ' LEU . 10.5 tp10 -62.59 -29.89 70.93 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.458 0.703 . . . . 52.52 112.019 -178.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -60.37 -23.62 64.45 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.934 -1.03 . . . . 74.24 112.549 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -79.14 -38.97 34.76 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 112.522 0.564 . . . . 74.44 112.522 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.486 HD21 ' HA ' ' A' ' 83' ' ' GLN . 5.6 mp -62.9 -46.54 87.36 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 123.195 0.309 . . . . 64.15 111.174 -173.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.2 -41.86 97.58 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.766 0.826 . . . . 63.5 112.149 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -77.55 -36.52 52.18 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.006 0.522 . . . . 75.55 111.446 -175.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 97' ' ' ILE . 1.9 t80 -69.5 -40.47 76.99 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 109.065 -0.717 . . . . 73.34 109.065 175.134 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.64 ' HD3' ' HD2' ' A' ' 106' ' ' LYS . 23.0 mtpt -58.93 -52.88 63.87 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.41 0.684 . . . . 73.24 112.514 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -56.99 -26.51 60.23 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 123.496 0.498 . . . . 74.41 111.681 -173.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 32.8 mmtp -79.24 -50.25 11.23 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.596 0.758 . . . . 52.11 110.891 176.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 93' ' ' PHE . 38.3 mm -65.27 -39.55 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 123.939 0.896 . . . . 61.53 110.971 -175.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -53.47 -48.01 69.27 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.637 1.175 . . . . 72.41 111.75 168.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.1 t -70.37 -23.46 62.79 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 123.531 0.732 . . . . 72.23 111.259 -178.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.508 HE21 ' HA ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -75.67 -8.85 57.84 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.194 0.598 . . . . 73.44 111.456 174.695 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.07 25.58 24.05 Favored Glycine 0 C--N 1.344 0.994 0 CA-C-N 116.367 -0.379 . . . . 73.42 112.715 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.46 ' HB2' HG22 ' A' ' 97' ' ' ILE . 10.5 m-85 -113.13 158.0 20.94 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.755 -0.831 . . . . 74.41 108.755 174.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -109.26 131.54 54.97 Favored 'General case' 0 C--O 1.245 0.852 0 N-CA-C 108.766 -0.828 . . . . 54.21 108.766 175.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.569 HG13 ' HE3' ' A' ' 94' ' ' LYS . 1.5 p -134.79 133.11 54.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.268 -0.878 . . . . 65.05 110.558 -174.289 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -97.11 144.38 27.02 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 124.204 1.002 . . . . 64.13 109.918 171.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.64 ' HD2' ' HD3' ' A' ' 94' ' ' LYS . 14.4 ptmm? -117.25 141.63 48.06 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 124.019 0.928 . . . . 65.31 109.046 176.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.482 HG23 ' HB3' ' A' ' 83' ' ' GLN . 29.1 m -147.63 165.05 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 124.718 1.207 . . . . 61.53 109.38 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.7 m -116.95 -50.33 2.59 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.664 0.745 . . . . 70.12 109.473 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -94.08 160.29 14.78 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 114.346 -1.297 . . . . 65.23 110.49 -170.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -53.05 -53.64 47.27 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.451 1.5 . . . . 73.14 112.029 175.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -60.55 -36.76 79.22 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 123.943 0.777 . . . . 64.33 112.076 -173.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.47 -45.05 81.0 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.126 0.57 . . . . 64.0 109.997 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.44 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.04 -49.47 75.87 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.855 0.862 . . . . 75.1 111.788 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.8 mt -58.88 -45.02 91.17 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.207 1.003 . . . . 73.21 111.06 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 61.1 tttm -63.58 -44.94 92.6 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 114.476 -1.238 . . . . 62.13 110.169 -175.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 34.6 mt -72.89 -27.16 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.417 0.687 . . . . 75.14 112.564 -174.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 113' ' ' ALA . 73.9 t -54.18 -42.06 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 CA-C-O 121.4 0.619 . . . . 71.22 109.944 168.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -82.89 -37.21 24.58 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.461 1.105 . . . . 70.54 111.952 -178.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 24.9 mm-40 -57.73 -46.52 84.34 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.292 0.637 . . . . 61.13 109.552 176.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -43.94 -42.12 5.7 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 125.377 1.471 . . . . 73.22 112.322 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.9 mtt -62.5 -19.19 63.34 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 114.793 -1.094 . . . . 74.11 113.267 -172.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -100.24 -40.89 7.32 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 118.24 0.473 . . . . 73.33 110.421 164.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 75.3 mmtt -65.8 -22.77 66.59 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.576 1.151 . . . . 72.22 113.148 -168.247 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.431 ' HB1' ' HG2' ' A' ' 3' ' ' GLU . . . -74.65 8.38 2.4 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 114.187 1.181 . . . . 61.11 114.187 -169.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 90.16 -7.82 80.91 Favored Glycine 0 C--N 1.342 0.885 0 N-CA-C 111.491 -0.644 . . . . 53.33 111.491 -171.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.7 t -57.77 -46.69 84.2 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 123.933 0.893 . . . . 51.33 110.076 173.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.5 tt -108.37 84.04 1.87 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 106.565 -1.642 . . . . 75.51 106.565 170.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -100.97 122.23 43.14 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.781 0.832 . . . . 63.3 109.762 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -77.79 -26.37 49.65 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.369 0.668 . . . . 64.54 110.551 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -85.99 46.05 1.28 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.108 0.963 . . . . 64.23 109.279 170.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -55.06 113.33 1.31 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.237 1.415 . . . . 61.04 111.587 -173.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -68.44 92.15 0.43 Allowed 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.951 -0.759 . . . . 72.24 108.951 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -163.57 133.68 4.3 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 123.816 0.846 . . . . 72.44 109.046 -177.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 . . . . . 0 C--O 1.249 1.059 0 O-C-N 123.912 0.758 . . . . 74.15 109.549 177.843 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 109.32 -0.622 . . . . 54.31 109.32 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -85.11 155.16 21.61 Favored 'General case' 0 C--N 1.346 0.456 0 CA-C-O 121.75 0.786 . . . . 70.04 111.619 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.429 ' HG3' ' HB1' ' A' ' 124' ' ' ALA . 6.1 mm-40 -113.6 149.64 34.24 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-N 114.27 -1.332 . . . . 72.55 108.449 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.94 121.82 12.0 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.721 -0.474 . . . . 74.52 109.721 -176.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 tt -118.55 137.46 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 109.552 -0.536 . . . . 73.53 109.552 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.514 HD21 ' HB2' ' A' ' 67' ' ' MET . 4.6 mp -116.34 132.0 56.79 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 107.832 -1.174 . . . . 73.11 107.832 174.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.553 HG13 HD23 ' A' ' 81' ' ' LEU . 2.2 mp -110.92 135.48 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 107.94 -1.133 . . . . 64.5 107.94 174.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.571 ' HB2' HD11 ' A' ' 64' ' ' LEU . 27.0 t-20 -116.54 109.01 16.7 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 107.101 -1.444 . . . . 71.33 107.101 168.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.631 HG23 HG12 ' A' ' 15' ' ' ILE . 1.2 t -125.64 118.66 26.15 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.511 -0.922 . . . . 54.02 108.511 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -94.79 10.77 33.9 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.907 -1.042 . . . . 75.24 110.202 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.492 ' O ' HG13 ' A' ' 15' ' ' ILE . 59.3 t-20 -108.43 119.63 40.07 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.702 1.201 . . . . 65.53 108.909 178.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -55.28 -56.6 18.2 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.667 1.187 . . . . 72.33 112.181 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -64.27 -32.43 74.02 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 115.323 -0.853 . . . . 65.32 110.651 -175.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.6 HD13 ' HB3' ' A' ' 110' ' ' ASP . 53.7 tp -69.99 -38.94 76.16 Favored 'General case' 0 C--N 1.362 1.138 0 CA-C-O 118.489 -0.767 . . . . 72.31 110.953 -179.383 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.631 HG12 HG23 ' A' ' 9' ' ' THR . 40.0 mt -51.57 -47.76 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 N-CA-C 109.066 -0.716 . . . . 63.23 109.066 176.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 52.9 mttm -59.47 -50.89 72.16 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.334 -1.303 . . . . 72.0 110.786 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.561 ' HE2' HD11 ' A' ' 114' ' ' LEU . 57.7 mtpt -58.11 -45.15 87.74 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.349 1.059 . . . . 72.22 111.697 -176.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.594 ' O ' HG23 ' A' ' 22' ' ' VAL . 75.6 mt -58.84 -53.56 45.82 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 O-C-N 124.369 1.043 . . . . 62.4 109.292 178.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 53.6 mtmt -56.69 -37.23 70.58 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 124.053 0.846 . . . . 70.44 112.156 -177.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 14.6 mmmm -66.87 -38.74 86.9 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 123.688 0.617 . . . . 71.11 111.039 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 25.0 mm-40 -62.61 -46.6 87.51 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 123.452 0.47 . . . . 61.11 110.212 173.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.597 HG21 HD22 ' A' ' 55' ' ' LEU . 58.1 t -63.26 -36.6 76.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.643 1.177 . . . . 62.44 111.547 -174.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.09 -39.67 90.19 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.81 0.844 . . . . 74.03 110.441 174.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -67.97 -26.7 66.06 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.563 0.745 . . . . 64.13 111.385 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 10.2 mm-40 -91.78 -10.2 40.83 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.111 0.565 . . . . 74.15 111.283 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.4 18.1 63.02 Favored Glycine 0 C--N 1.353 1.514 0 N-CA-C 114.548 0.579 . . . . 61.42 114.548 172.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.493 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 2.4 m-85 -88.02 156.56 19.25 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.452 0.701 . . . . 64.22 110.215 178.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -78.72 115.43 18.41 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 109.214 -0.662 . . . . 64.21 109.214 175.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.2 t -85.77 117.27 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 122.782 0.433 . . . . 50.43 110.891 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.502 ' HB2' ' HA ' ' A' ' 56' ' ' ILE . 7.1 mpt_? -99.19 122.87 42.97 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.113 0.565 . . . . 75.43 109.515 169.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -93.31 114.19 26.58 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 106.657 -1.609 . . . . 62.21 106.657 155.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.477 HG12 HD13 ' A' ' 63' ' ' LEU . 84.0 t -116.4 118.01 57.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 107.282 -1.377 . . . . 72.23 107.282 173.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -117.09 -18.04 10.15 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.516 1.126 . . . . 75.23 108.574 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -132.49 152.25 51.61 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.202 1.001 . . . . 63.2 109.685 -172.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.8 p -66.1 -22.07 66.38 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.297 1.039 . . . . 71.15 112.957 -175.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.06 -37.25 69.69 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.234 0.613 . . . . 65.32 109.562 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -67.9 -37.27 81.51 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.154 -0.93 . . . . 61.02 111.771 -173.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.457 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.0 pp -71.74 -45.68 60.98 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 123.22 0.325 . . . . 74.11 110.639 -179.173 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 18.2 ptpt -70.18 -28.31 65.21 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 111.486 0.18 . . . . 72.54 111.486 -172.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -80.28 -30.75 38.35 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 122.636 0.375 . . . . 70.33 111.726 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -85.5 -24.26 27.42 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 117.831 0.287 . . . . 53.12 111.338 176.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.552 ' SD ' HD12 ' A' ' 45' ' ' LEU . 13.7 mmt -65.31 -21.61 66.73 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.283 0.633 . . . . 73.04 110.997 171.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 95.7 mttt -69.2 -39.89 78.36 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.549 0.74 . . . . 63.01 110.979 172.07 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -56.16 -40.82 74.45 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.438 0.695 . . . . 64.24 110.273 174.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.552 HD12 ' SD ' ' A' ' 42' ' ' MET . 61.1 mt -68.66 -44.44 74.08 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.292 -1.322 . . . . 64.13 110.519 177.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.65 -28.25 68.96 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.643 0.777 . . . . 65.22 112.328 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -81.1 -53.26 6.55 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.872 0.469 . . . . 41.44 111.5 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -89.43 137.06 32.66 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.922 0.489 . . . . 71.22 110.773 -174.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -74.46 -64.75 0.96 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.003 0.814 . . . . 75.42 112.308 -168.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -147.48 95.14 2.48 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.255 -0.646 . . . . 74.41 109.255 -176.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -122.29 -176.19 3.3 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.203 -1.036 . . . . 73.43 108.203 171.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -52.12 140.28 21.24 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.545 0.738 . . . . 73.22 111.864 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 148.52 47.74 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.304 0.573 . . . . 64.55 111.421 -176.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 54' ' ' ILE . 3.4 mp -109.99 146.46 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 114.648 -1.16 . . . . 54.22 109.089 -169.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.597 HD22 HG21 ' A' ' 22' ' ' VAL . 6.4 tt -113.13 118.46 34.78 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.613 -0.884 . . . . 65.55 108.613 175.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.502 ' HA ' ' HB2' ' A' ' 30' ' ' ARG . 20.0 mm -97.92 137.14 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 108.211 -1.033 . . . . 74.24 108.211 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.474 HG21 HG23 ' A' ' 15' ' ' ILE . 61.1 mt -116.57 133.43 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 107.339 -1.356 . . . . 71.15 107.339 165.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.1 t -137.26 123.43 20.46 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 108.355 -0.98 . . . . 71.22 108.355 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -70.11 -35.32 74.03 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 124.084 0.865 . . . . 75.54 110.224 -178.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.404 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 27.1 t70 -99.3 150.14 22.41 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.081 0.953 . . . . 72.44 112.207 -173.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -78.71 -37.88 40.42 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.339 1.056 . . . . 65.21 111.764 -176.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -66.97 -32.53 73.83 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.171 0.588 . . . . 74.14 109.942 -176.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.477 HD13 HG12 ' A' ' 32' ' ' VAL . 57.4 mt -65.77 -43.0 90.16 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 124.088 0.867 . . . . 71.25 110.188 177.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 8' ' ' ASN . 88.7 mt -53.61 -52.05 61.09 Favored 'General case' 0 C--N 1.364 1.207 0 O-C-N 124.256 0.972 . . . . 72.01 110.017 177.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -56.82 -45.41 82.3 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.665 1.228 . . . . 70.01 111.232 -175.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -56.16 -50.19 71.85 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 123.822 0.701 . . . . 74.02 111.239 176.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.514 ' HB2' HD21 ' A' ' 6' ' ' LEU . 33.5 mtt -61.68 -49.45 76.47 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 115.605 -0.725 . . . . 75.3 111.29 -178.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 79.9 mt -53.12 -38.01 62.26 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.959 0.904 . . . . 41.2 111.286 -176.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -76.51 -34.5 58.59 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.925 -1.034 . . . . 73.24 112.149 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.32 -52.98 33.83 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.739 0.416 . . . . 73.54 110.339 174.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.482 HG23 ' HB2' ' A' ' 76' ' ' TYR . 61.3 mt -56.8 -30.5 33.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 125.66 1.584 . . . . 72.13 111.289 178.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.3 t -55.53 -51.84 65.68 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.014 0.925 . . . . 71.42 110.888 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.86 -6.78 57.93 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 112.212 0.449 . . . . 72.43 112.212 176.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 71' ' ' ILE . 80.2 mt -76.05 -21.42 56.82 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.267 -0.642 . . . . 72.51 109.267 170.051 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.17 4.09 74.96 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-N 115.909 -0.587 . . . . 54.31 113.957 173.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.482 ' HB2' HG23 ' A' ' 71' ' ' ILE . 8.5 m-30 -80.95 159.96 24.77 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 117.078 0.439 . . . . 74.25 110.455 -176.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -71.05 115.62 10.4 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 108.362 -0.977 . . . . 62.41 108.362 174.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.3 t -88.51 106.5 16.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 N-CA-C 108.579 -0.897 . . . . 73.3 108.579 -174.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -114.66 137.97 51.26 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 106.992 -1.484 . . . . 73.2 106.992 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.493 HD22 HD11 ' A' ' 68' ' ' LEU . 51.7 tp -134.35 148.03 50.64 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 108.02 -1.104 . . . . 74.41 108.02 -177.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.553 HD23 HG13 ' A' ' 7' ' ' ILE . 43.4 tp -142.93 141.28 31.44 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 106.806 -1.554 . . . . 74.13 106.806 177.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.59 HD13 ' HB3' ' A' ' 90' ' ' LEU . 1.1 pp -147.24 146.38 29.77 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.849 0.46 . . . . 70.44 110.801 176.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.63 140.03 23.4 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 124.657 1.183 . . . . 71.31 108.137 176.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.47 ' N ' HD11 ' A' ' 90' ' ' LEU . 23.2 t70 -164.76 165.63 20.54 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.34 0.656 . . . . 70.24 110.166 -179.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -57.53 -55.18 38.18 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.614 1.565 . . . . 74.12 110.768 170.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.06 92.55 8.32 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 108.584 -0.895 . . . . 72.14 108.584 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -80.11 -6.55 57.88 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 115.785 -0.643 . . . . 73.3 111.354 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -72.91 -27.88 62.14 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.723 -0.611 . . . . 64.25 110.516 176.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -74.93 -37.06 62.11 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.971 0.508 . . . . 63.44 110.427 169.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.59 ' HB3' HD13 ' A' ' 82' ' ' LEU . 75.2 mt -64.9 -42.31 94.86 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.255 0.622 . . . . 53.42 112.497 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.05 -33.11 71.53 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.739 0.416 . . . . 72.44 110.712 -178.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -63.95 -47.75 79.23 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.701 1.2 . . . . 70.41 110.749 175.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.423 ' O ' HG12 ' A' ' 97' ' ' ILE . 60.4 t80 -65.78 -48.06 73.05 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.013 0.925 . . . . 74.32 110.073 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.446 ' HG3' HG22 ' A' ' 104' ' ' VAL . 19.7 ttpt -56.99 -53.35 59.06 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.844 1.258 . . . . 71.41 112.391 -174.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -61.47 -28.95 69.65 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.905 0.706 . . . . 73.14 112.905 -173.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 33.3 mmtp -72.0 -37.49 69.82 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.657 -0.701 . . . . 55.34 110.207 176.321 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 93' ' ' PHE . 45.0 mm -73.36 -35.51 46.41 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.42 0 C-N-CA 124.169 0.988 . . . . 64.53 111.913 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -55.05 -49.45 71.56 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.483 0.713 . . . . 74.44 111.693 176.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 91.9 p -65.2 -19.58 66.04 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.005 -0.998 . . . . 64.55 112.319 -177.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 75.1 mm-40 -76.97 -16.73 59.25 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.284 0.634 . . . . 74.15 111.52 177.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.96 9.67 48.18 Favored Glycine 0 C--N 1.347 1.183 0 O-C-N 123.66 0.6 . . . . 72.11 112.967 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -95.5 140.87 29.73 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.214 0.606 . . . . 74.0 109.848 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -78.15 126.15 30.39 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.758 -0.83 . . . . 75.14 108.758 173.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.446 HG22 ' HG3' ' A' ' 94' ' ' LYS . 2.1 p -138.95 120.04 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 123.063 0.545 . . . . 64.33 110.464 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -100.31 123.28 44.35 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 123.098 0.559 . . . . 75.2 109.504 -178.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.495 ' HA ' HD12 ' A' ' 82' ' ' LEU . 23.0 ttpp -102.13 121.46 42.26 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 108.839 -0.801 . . . . 75.21 108.839 176.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 31.0 m -133.77 163.35 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.559 0.744 . . . . 63.33 109.123 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 21.2 m -109.49 -52.12 2.8 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 123.763 0.825 . . . . 72.43 109.247 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.559 ' HB2' ' HG2' ' A' ' 112' ' ' GLU . 7.9 m-20 -74.26 143.18 45.18 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.227 -0.897 . . . . 60.1 110.792 -173.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.6 ' HB3' HD13 ' A' ' 14' ' ' LEU . 41.7 m-20 -62.65 -35.91 81.16 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.105 -1.407 . . . . 72.03 112.085 177.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.0 -33.61 73.95 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.637 0.775 . . . . 65.31 111.368 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.559 ' HG2' ' HB2' ' A' ' 109' ' ' ASP . 12.8 mm-40 -69.7 -38.64 77.04 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 122.884 0.474 . . . . 65.44 109.935 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.87 -45.57 88.85 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.722 0.639 . . . . 73.11 111.367 176.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.561 HD11 ' HE2' ' A' ' 17' ' ' LYS . 89.7 mt -61.49 -38.07 85.98 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.506 0.722 . . . . 63.04 110.83 176.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.7 tmmt? -65.34 -39.21 92.1 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.817 0.847 . . . . 65.01 110.865 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.494 ' HA ' ' HG2' ' A' ' 119' ' ' GLU . 45.4 mm -67.35 -38.35 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 O-C-N 123.571 0.544 . . . . 74.11 110.452 177.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.416 HG21 HG23 ' A' ' 18' ' ' ILE . 67.7 t -60.72 -45.84 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.481 0.712 . . . . 42.11 110.342 174.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.52 -48.97 65.51 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.466 0.706 . . . . 54.21 111.466 -177.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.494 ' HG2' ' HA ' ' A' ' 116' ' ' ILE . 11.5 pt-20 -65.62 -26.75 67.96 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 119.205 -0.426 . . . . 61.42 111.487 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -58.83 -35.03 72.23 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 118.156 0.435 . . . . 75.13 110.582 173.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.493 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 14.8 mmt -60.58 -29.62 69.3 Favored 'General case' 0 CA--C 1.558 1.25 0 C-N-CA 122.76 0.424 . . . . 73.24 111.686 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 4.7 pt20 -99.21 -21.13 16.25 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.125 0.57 . . . . 73.43 112.102 177.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 74.7 mmtt -66.9 -51.63 53.06 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.695 -0.854 . . . . 61.14 108.695 173.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.429 ' HB1' ' HG3' ' A' ' 3' ' ' GLU . . . -69.11 -32.15 71.35 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 113.47 -1.696 . . . . 74.32 112.484 -174.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -155.79 -100.83 0.18 Allowed Glycine 0 C--N 1.341 0.828 0 N-CA-C 110.649 -0.98 . . . . 33.05 110.649 178.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.4 t -163.18 130.86 3.62 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.316 -0.624 . . . . 64.3 109.316 176.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.2 tt -159.09 102.55 1.63 Allowed 'General case' 0 C--O 1.238 0.48 0 N-CA-C 106.082 -1.821 . . . . 63.15 106.082 176.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.93 115.78 7.04 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.099 0.96 . . . . 72.1 111.92 -171.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -148.27 142.75 26.39 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.525 -0.917 . . . . 61.33 108.525 170.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -81.78 155.96 25.18 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.494 -0.928 . . . . 71.11 108.494 170.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -64.81 111.38 2.77 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 108.978 -0.749 . . . . 61.12 108.978 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -74.99 -7.11 52.7 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 112.656 0.613 . . . . 64.14 112.656 -168.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -84.14 -74.54 0.38 Allowed 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 107.442 -1.318 . . . . 50.21 107.442 166.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 64.0 t60 . . . . . 0 C--O 1.252 1.21 0 C-N-CA 124.496 1.118 . . . . 73.12 108.911 166.177 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 108.697 -0.853 . . . . 64.24 108.697 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -129.13 111.19 12.68 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 123.088 0.555 . . . . 55.45 110.11 -171.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 2.2 mp0 -119.01 154.7 32.66 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.425 1.09 . . . . 55.4 108.623 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -118.39 112.58 20.18 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.575 -0.898 . . . . 73.02 108.575 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.426 HG23 ' HG ' ' A' ' 55' ' ' LEU . 7.4 tt -100.38 124.62 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 109.19 -0.67 . . . . 53.22 109.19 177.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 mp -107.17 122.34 46.31 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.657 -0.868 . . . . 74.31 108.657 177.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.64 HG21 HD13 ' A' ' 18' ' ' ILE . 2.5 mp -101.15 129.45 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 108.195 -1.039 . . . . 73.54 108.195 174.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.654 ' HB2' HD11 ' A' ' 64' ' ' LEU . 7.1 t-20 -106.72 115.54 30.37 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.15 -1.055 . . . . 64.11 108.15 170.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.568 HG23 HG12 ' A' ' 15' ' ' ILE . 1.8 t -139.03 112.11 7.97 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 123.745 0.653 . . . . 75.5 109.408 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -84.99 -18.41 34.55 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 115.242 -0.89 . . . . 74.32 109.947 173.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.484 ' O ' HG13 ' A' ' 15' ' ' ILE . 48.7 t-20 -72.63 105.26 4.18 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 108.516 -0.92 . . . . 71.14 108.516 178.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -54.95 -46.44 74.99 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.721 1.208 . . . . 73.3 111.894 -172.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -65.65 -40.86 92.91 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 114.877 -1.056 . . . . 71.45 110.731 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 110' ' ' ASP . 39.3 tp -64.18 -37.41 87.35 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.462 0.705 . . . . 74.3 111.144 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.582 HG22 ' HE3' ' A' ' 19' ' ' LYS . 14.2 mt -54.89 -47.23 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 CA-C-O 121.148 0.499 . . . . 73.13 109.878 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -59.4 -46.98 87.19 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 114.595 -1.184 . . . . 74.31 111.295 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -64.01 -42.06 97.26 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.936 0.894 . . . . 74.42 111.647 -176.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.64 HD13 HG21 ' A' ' 7' ' ' ILE . 77.8 mt -58.93 -50.54 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.326 0.651 . . . . 63.31 109.398 177.157 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.582 ' HE3' HG22 ' A' ' 15' ' ' ILE . 98.1 mttt -52.53 -39.46 61.4 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 124.109 0.881 . . . . 71.53 112.444 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -64.76 -46.51 81.85 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.4 0.437 . . . . 71.33 110.258 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -62.25 -37.83 86.92 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.544 0.737 . . . . 63.12 111.977 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 18' ' ' ILE . 58.9 t -65.23 -36.3 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.302 1.041 . . . . 71.51 110.653 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.03 -42.15 94.61 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.865 -0.607 . . . . 60.45 110.0 174.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -67.4 -30.23 69.95 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.109 0.564 . . . . 73.3 111.164 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -78.92 -21.11 47.82 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.592 0.757 . . . . 72.11 111.013 177.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.06 22.6 54.58 Favored Glycine 0 C--N 1.345 1.063 0 CA-C-N 116.497 -0.32 . . . . 65.12 113.025 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.474 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 3.4 m-85 -97.0 158.51 15.39 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.919 0.888 . . . . 61.51 109.707 175.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.528 ' HB2' HG23 ' A' ' 54' ' ' ILE . 1.9 mp0 -82.67 112.66 19.74 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.784 -0.821 . . . . 73.41 108.784 -177.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.3 t -70.4 99.82 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 109.185 -0.672 . . . . 75.53 109.185 173.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.517 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 0.7 OUTLIER -119.97 107.16 12.77 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 107.631 -1.248 . . . . 65.43 107.631 178.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -123.88 117.1 24.08 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 121.466 0.651 . . . . 72.23 111.906 -170.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.63 HG21 ' SD ' ' A' ' 67' ' ' MET . 54.7 t -79.5 129.88 36.91 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 C-N-CA 125.408 1.483 . . . . 71.01 110.616 175.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -133.72 15.46 3.99 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.126 0.57 . . . . 75.22 110.434 173.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -161.01 152.83 19.64 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.898 0.879 . . . . 74.41 110.476 -176.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.9 m -65.69 -35.74 81.63 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.476 1.111 . . . . 75.25 113.03 -174.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.479 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 5.2 m-20 -83.15 -19.24 37.01 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.804 0.442 . . . . 72.01 111.177 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 18.5 mm-40 -72.61 -36.68 68.13 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.384 -0.371 . . . . 74.45 111.077 174.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.491 ' HB3' HG11 ' A' ' 32' ' ' VAL . 1.9 pp -64.66 -41.53 96.04 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 118.147 0.431 . . . . 70.03 111.023 -174.045 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 17.2 ptpt -69.83 -36.57 75.7 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.768 -0.651 . . . . 75.4 111.19 -173.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 22.9 ptmt -75.47 -26.11 57.94 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.177 0.591 . . . . 74.54 110.935 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' OE1' ' HG3' ' A' ' 30' ' ' ARG . 37.1 mt-10 -77.66 -32.64 53.32 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.995 0.918 . . . . 71.24 111.054 174.389 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.406 ' HG3' HD12 ' A' ' 70' ' ' LEU . 34.6 mmt -72.27 -28.83 63.37 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.013 0.525 . . . . 44.15 111.329 175.186 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 98.2 mttt -62.89 -37.38 86.71 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.75 0.42 . . . . 74.24 110.606 174.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -61.64 -27.4 68.64 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.974 0.91 . . . . 73.44 113.016 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.438 ' HB3' ' HE2' ' A' ' 76' ' ' TYR . 76.5 mt -73.01 -34.83 66.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 122.821 0.448 . . . . 74.33 110.726 175.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.61 -33.13 53.85 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.722 0.809 . . . . 64.11 111.351 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -77.92 -48.25 16.78 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.022 0.929 . . . . 72.43 110.867 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -104.84 116.3 31.77 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.046 0.938 . . . . 64.12 108.525 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -101.34 -66.19 0.93 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.086 0.554 . . . . 72.2 110.678 -175.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -91.67 98.11 11.44 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.642 0.777 . . . . 73.4 111.061 -168.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.53 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -171.06 -179.72 2.82 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.323 1.049 . . . . 63.21 109.939 173.064 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.36 144.11 56.75 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 121.194 0.521 . . . . 74.22 110.119 176.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 40.1 pttt -67.01 157.24 33.96 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.908 -1.042 . . . . 75.41 112.667 -174.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.53 HD11 ' CZ ' ' A' ' 51' ' ' PHE . 2.9 mp -109.28 143.04 20.21 Favored 'Isoleucine or valine' 0 C--O 1.245 0.821 0 CA-C-N 114.693 -1.139 . . . . 42.22 108.715 -168.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.543 HD22 HG21 ' A' ' 22' ' ' VAL . 9.0 tt -104.78 117.03 33.05 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.462 -0.94 . . . . 74.21 108.462 174.274 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 18.4 mm -97.23 137.06 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 123.668 0.787 . . . . 70.14 109.078 177.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 56.0 mt -116.49 147.98 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 107.64 -1.245 . . . . 71.13 107.64 167.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.5 t -146.02 146.14 30.86 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 123.765 0.826 . . . . 62.42 109.019 174.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -94.59 -5.07 46.65 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.704 -0.68 . . . . 71.24 112.242 -175.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -144.36 153.37 41.9 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.16 0.505 . . . . 73.2 111.927 -176.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HA ' HD12 ' A' ' 64' ' ' LEU . 47.2 mmtm -68.7 -32.56 72.45 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.622 1.169 . . . . 74.11 112.552 -177.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.02 -35.51 80.08 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.957 0.503 . . . . 64.52 110.682 -177.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.557 HD13 HG12 ' A' ' 32' ' ' VAL . 49.3 mt -73.56 -42.54 61.52 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-N 115.426 -0.806 . . . . 74.51 109.319 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.654 HD11 ' HB2' ' A' ' 8' ' ' ASN . 95.4 mt -52.79 -57.34 10.51 Favored 'General case' 0 C--N 1.361 1.072 0 O-C-N 124.192 0.933 . . . . 74.44 110.041 173.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -49.77 -48.91 50.13 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.057 1.343 . . . . 61.42 111.467 -171.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -59.86 -54.63 43.98 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.085 -0.962 . . . . 51.42 112.063 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.63 ' SD ' HG21 ' A' ' 32' ' ' VAL . 77.9 mtm -61.81 -46.74 88.19 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 123.505 0.503 . . . . 65.54 111.913 -176.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.484 HD13 HD12 ' A' ' 97' ' ' ILE . 83.9 mt -50.15 -42.75 51.42 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.799 1.24 . . . . 74.01 111.494 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -72.49 -44.49 62.2 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.36 -0.836 . . . . 74.33 111.402 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.406 HD12 ' HG3' ' A' ' 42' ' ' MET . 88.6 mt -61.94 -48.76 78.99 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.979 0.512 . . . . 73.34 111.387 -177.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 80.3 mt -58.17 -33.06 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 C-N-CA 125.014 1.325 . . . . 73.14 111.759 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -60.7 -50.4 73.64 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.595 0.758 . . . . 73.01 111.056 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.9 -6.77 58.68 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 112.187 0.44 . . . . 63.34 112.187 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.4 HD13 ' HB2' ' A' ' 45' ' ' LEU . 83.5 mt -73.61 -26.66 60.9 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 109.404 -0.591 . . . . 74.11 109.404 165.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.26 59.93 1.52 Allowed Glycine 0 C--N 1.347 1.146 0 CA-C-N 115.967 -0.56 . . . . 45.44 111.875 173.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.438 ' HE2' ' HB3' ' A' ' 45' ' ' LEU . 39.6 m-85 -131.29 161.33 32.56 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.167 0.987 . . . . 74.11 109.226 173.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -80.62 112.86 18.38 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 108.166 -1.05 . . . . 64.32 108.166 174.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.3 t -89.66 118.5 35.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 115.782 -0.645 . . . . 51.23 109.924 -170.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -113.06 143.55 44.14 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.052 -1.092 . . . . 71.44 108.052 175.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.1 tp -135.34 147.79 49.24 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.351 1.06 . . . . 75.03 108.716 177.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.5 tp -147.16 114.06 6.12 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 107.17 -1.418 . . . . 74.12 107.17 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 106' ' ' LYS . 1.0 OUTLIER -119.73 145.92 46.11 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.003 0.521 . . . . 65.34 110.89 -176.58 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.07 143.28 40.41 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 123.192 0.597 . . . . 60.13 109.867 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -168.1 162.06 12.88 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.816 0.846 . . . . 74.11 108.958 168.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -68.22 -30.73 69.86 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 122.948 0.499 . . . . 75.13 111.117 176.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -88.41 120.0 29.37 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 107.675 -1.231 . . . . 75.15 107.675 170.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.601 ' HG2' ' HD3' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -89.3 -25.1 21.83 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.814 1.246 . . . . 72.44 111.111 -174.349 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.453 ' O ' ' HG3' ' A' ' 92' ' ' GLU . 17.0 m120 -80.98 -30.43 35.08 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 112.735 0.643 . . . . 74.04 112.735 -172.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -69.3 -32.99 72.5 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.172 0.511 . . . . 74.22 109.788 172.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.453 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.8 mt -64.66 -38.06 89.7 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.065 -0.97 . . . . 54.43 111.428 177.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.48 ' HB3' ' NZ ' ' A' ' 106' ' ' LYS . 11.6 pt-20 -75.52 -29.88 59.6 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 123.225 0.328 . . . . 72.12 111.502 -178.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 88' ' ' ASN . 51.1 mt-10 -67.49 -40.98 85.23 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 123.02 0.528 . . . . 70.34 110.716 178.205 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.492 ' O ' HG12 ' A' ' 97' ' ' ILE . 65.6 t80 -69.48 -43.75 72.54 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.134 -0.485 . . . . 74.32 109.843 172.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -62.08 -44.24 97.09 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.701 0.8 . . . . 71.24 112.613 -172.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.02 -32.08 70.55 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.089 0.556 . . . . 61.45 111.439 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -64.56 -41.81 96.08 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.748 0.819 . . . . 73.11 110.467 173.533 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 93' ' ' PHE . 27.4 mm -74.04 -40.84 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 124.105 0.962 . . . . 72.45 111.053 -175.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.39 -31.19 71.82 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.644 1.178 . . . . 72.32 111.222 171.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.7 t -67.7 -34.26 76.53 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.207 0.603 . . . . 60.51 110.155 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 86.5 mm-40 -77.54 -21.34 52.76 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.339 0.656 . . . . 54.43 110.83 175.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.02 6.78 61.57 Favored Glycine 0 C--N 1.344 1.008 0 CA-C-O 119.648 -0.529 . . . . 54.33 113.718 175.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.46 ' HB2' HG22 ' A' ' 97' ' ' ILE . 8.9 m-85 -75.17 142.21 43.55 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 109.335 -0.617 . . . . 74.43 109.335 -178.033 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -74.13 88.08 1.93 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.356 0.663 . . . . 71.34 109.761 -178.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.3 p -101.97 139.62 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 123.448 0.699 . . . . 74.1 110.451 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -118.64 144.03 46.43 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 125.256 1.422 . . . . 71.44 108.812 175.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.601 ' HD3' ' HG2' ' A' ' 87' ' ' GLU . 30.6 ttmt -115.75 138.24 51.32 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.21 0.604 . . . . 71.41 109.581 174.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.8 m -143.57 -178.26 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.829 0 C-N-CA 124.329 1.051 . . . . 64.21 108.87 172.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 52.3 m -133.79 -48.21 0.81 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.361 0.664 . . . . 75.2 109.782 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -84.21 156.26 22.12 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.634 -0.712 . . . . 74.55 111.42 -172.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.431 ' HA ' HD22 ' A' ' 14' ' ' LEU . 8.7 t70 -51.85 -53.73 37.1 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.358 1.463 . . . . 64.53 111.267 176.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 11.0 pt-20 -62.94 -38.79 92.43 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.585 0.553 . . . . 74.23 111.116 -173.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.91 -36.97 85.69 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.525 0.73 . . . . 72.33 111.205 -175.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.97 81.03 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.742 -0.663 . . . . 73.42 110.663 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.36 -33.53 75.72 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.266 0.626 . . . . 73.23 111.375 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 111' ' ' GLU . 68.1 mttm -60.08 -52.23 66.24 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.474 0.71 . . . . 74.13 110.473 177.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.408 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 25.3 mt -74.82 -24.45 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 O-C-N 123.912 0.758 . . . . 74.43 112.052 -172.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 62.1 t -53.51 -43.74 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 N-CA-C 109.641 -0.503 . . . . 75.02 109.641 166.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -76.74 -38.26 54.54 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.935 -0.575 . . . . 71.42 111.562 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 17.5 mm-40 -64.01 -25.76 68.27 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.78 0.432 . . . . 73.22 112.121 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.442 ' HD2' ' SD ' ' A' ' 121' ' ' MET . 65.7 t80 -56.92 -47.61 80.19 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.849 0.46 . . . . 73.54 110.648 169.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.474 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 13.3 mmt -56.5 -29.49 61.88 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.725 1.265 . . . . 73.05 112.041 -169.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 123' ' ' LYS . 8.0 pt20 -98.74 -57.16 2.25 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 123.058 0.543 . . . . 74.34 111.668 173.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 0.4 OUTLIER -78.93 -23.76 44.47 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 124.547 1.139 . . . . 70.14 113.205 -156.426 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.19 -56.63 15.1 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 112.072 0.397 . . . . 75.4 112.072 -174.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -128.58 64.61 0.6 Allowed Glycine 0 N--CA 1.468 0.781 0 N-CA-C 110.432 -1.067 . . . . 61.31 110.432 174.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 26.7 p -72.89 80.58 1.17 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.236 1.014 . . . . 62.01 112.306 -172.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 52.3 tp 57.83 -84.06 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.733 1.613 . . . . 75.32 111.581 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -82.51 68.77 9.1 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 123.956 0.902 . . . . 73.13 109.457 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -87.27 135.1 33.44 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.224 -0.898 . . . . 64.04 110.052 -176.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -109.57 132.8 53.8 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.485 -0.931 . . . . 75.15 108.485 170.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -119.99 161.31 21.14 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.013 -1.106 . . . . 50.14 108.013 169.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -75.07 145.59 42.19 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.243 0.617 . . . . 71.13 109.936 177.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -64.04 85.82 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.669 0.387 . . . . 74.2 110.403 174.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 . . . . . 0 CA--C 1.56 1.356 0 C-N-CA 125.679 1.592 . . . . 74.44 111.235 178.872 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtp . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 108.887 -0.783 . . . . 74.03 108.887 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -95.63 102.14 13.91 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.31 -0.996 . . . . 75.24 108.31 167.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.449 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 3.4 mp0 -88.89 139.86 30.02 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 114.683 -1.144 . . . . 65.53 109.887 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.403 ' HB3' HD13 ' A' ' 71' ' ' ILE . 4.5 mm? -119.52 109.9 16.26 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 107.382 -1.34 . . . . 63.33 107.382 175.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.414 HG23 ' HG ' ' A' ' 55' ' ' LEU . 8.7 tt -105.59 131.3 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 C-N-CA 123.576 0.75 . . . . 74.31 109.119 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -111.74 119.87 40.08 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 107.999 -1.111 . . . . 73.14 107.999 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.466 HG21 HD13 ' A' ' 18' ' ' ILE . 2.1 mp -99.2 126.43 52.48 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.518 0 N-CA-C 108.284 -1.006 . . . . 70.21 108.284 176.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.642 ' HB2' HD11 ' A' ' 64' ' ' LEU . 6.6 t-20 -105.52 116.65 32.3 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 108.037 -1.098 . . . . 72.21 108.037 173.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.597 HG23 HG12 ' A' ' 15' ' ' ILE . 1.6 t -145.72 122.1 10.96 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.075 0.55 . . . . 72.04 110.02 175.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -100.99 -2.42 31.77 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.749 0.82 . . . . 54.33 110.403 172.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.495 ' O ' HG13 ' A' ' 15' ' ' ILE . 46.5 t-20 -78.07 98.38 5.74 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 107.86 -1.163 . . . . 71.23 107.86 173.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -47.06 -43.24 19.84 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 125.747 1.619 . . . . 42.44 113.119 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.46 -55.75 24.71 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.213 -0.903 . . . . 73.15 110.982 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.459 ' O ' HG13 ' A' ' 18' ' ' ILE . 52.0 tp -58.37 -36.41 73.45 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.231 0.957 . . . . 72.41 112.211 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.597 HG12 HG23 ' A' ' 9' ' ' THR . 32.9 mt -55.13 -50.4 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 CA-C-O 121.132 0.492 . . . . 54.41 110.077 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 mtmp? -64.25 -38.77 92.24 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 114.732 -1.122 . . . . 74.15 111.242 -179.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -67.16 -39.51 86.51 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.446 0.698 . . . . 70.33 111.163 -178.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.545 ' O ' HG23 ' A' ' 22' ' ' VAL . 69.3 mt -62.94 -44.92 99.93 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 O-C-N 123.699 0.624 . . . . 64.43 109.318 176.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.524 ' HE3' HG22 ' A' ' 15' ' ' ILE . 97.3 mttt -52.47 -48.84 65.63 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 123.799 0.687 . . . . 73.12 111.661 177.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -65.55 -36.87 85.05 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.324 0.65 . . . . 61.53 111.217 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 48.3 mm-40 -68.37 -38.5 81.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.736 0.814 . . . . 74.04 112.084 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 18' ' ' ILE . 89.2 t -72.15 -30.77 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.908 0.883 . . . . 73.42 110.476 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -65.72 -37.74 87.25 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.529 -0.76 . . . . 71.4 110.17 171.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -69.15 -34.73 75.46 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.235 0.614 . . . . 71.23 110.607 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 79.0 mm-40 -77.33 -16.87 58.71 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.948 0.499 . . . . 74.14 110.638 178.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.62 4.95 79.22 Favored Glycine 0 C--N 1.349 1.279 0 C-N-CA 122.888 0.28 . . . . 73.1 113.551 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.41 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 2.1 m-85 -86.96 155.42 20.2 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.658 0.783 . . . . 71.4 109.4 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.74 118.05 23.09 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.782 -0.645 . . . . 72.45 109.73 -173.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.1 t -79.07 114.65 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 109.377 -0.601 . . . . 73.33 109.377 175.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.467 ' HD2' HG21 ' A' ' 54' ' ' ILE . 93.8 mtt-85 -124.68 105.58 9.43 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 108.186 -1.042 . . . . 75.31 108.186 168.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -99.49 134.92 41.66 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 121.351 0.596 . . . . 74.02 110.131 -177.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.501 HG11 ' HB3' ' A' ' 38' ' ' LEU . 78.0 t -109.24 120.64 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 124.659 1.184 . . . . 72.53 108.662 -175.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -107.56 -15.48 14.59 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.875 0.87 . . . . 72.15 110.743 -178.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -153.65 164.8 37.66 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.536 0.734 . . . . 74.41 109.86 -173.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.7 p -58.76 -31.27 68.19 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.823 0.849 . . . . 61.52 111.483 175.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -77.13 -21.0 54.84 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.597 -0.729 . . . . 74.32 110.121 -178.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 55.9 mm-40 -77.13 -38.38 52.19 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.94 -0.573 . . . . 72.42 112.069 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.516 ' O ' ' HG2' ' A' ' 42' ' ' MET . 4.0 pp -70.94 -39.59 72.55 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 119.022 0.828 . . . . 72.12 110.702 -177.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -37.94 84.05 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.676 0.39 . . . . 72.44 111.578 -176.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 21.1 ptmt -74.41 -28.84 61.26 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.399 0.68 . . . . 71.01 110.994 -175.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 5.1 mm-40 -85.35 -27.84 25.61 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.588 0.755 . . . . 52.14 111.103 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.516 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 85.4 mmm -69.56 -30.71 68.57 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 122.754 0.421 . . . . 65.43 110.165 173.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -58.08 -49.09 78.12 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 115.3 -0.864 . . . . 62.33 110.493 172.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.453 ' HG3' ' NH1' ' A' ' 30' ' ' ARG . 75.9 mmtt -56.45 -39.1 72.58 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.068 0.947 . . . . 65.23 111.969 -177.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.2 mt -68.82 -34.72 75.98 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 114.933 -1.03 . . . . 63.54 110.976 178.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.69 -41.77 36.86 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.868 0.867 . . . . 75.11 111.738 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -77.32 -55.06 5.73 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.025 0.53 . . . . 55.44 111.368 -171.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -71.36 133.21 45.81 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.687 -0.688 . . . . 64.41 109.556 -177.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -104.4 -63.13 1.24 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.535 0.734 . . . . 63.14 110.623 -176.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -85.72 92.28 8.55 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.087 0.47 . . . . 73.13 110.265 -176.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -162.32 168.95 21.4 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.143 0.977 . . . . 70.14 110.024 174.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -81.25 -169.69 2.39 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.414 0.686 . . . . 72.13 110.655 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.449 ' HD3' ' HB2' ' A' ' 3' ' ' GLU . 13.1 ptpt -85.74 146.08 26.97 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.206 0.527 . . . . 74.31 110.068 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.467 HG21 ' HD2' ' A' ' 30' ' ' ARG . 3.3 mp -109.64 142.14 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.835 0.854 . . . . 72.42 109.285 -174.168 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.541 HD22 HG21 ' A' ' 22' ' ' VAL . 8.0 tt -97.47 117.15 31.08 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 123.397 0.679 . . . . 73.32 109.222 175.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.548 HG21 ' SD ' ' A' ' 67' ' ' MET . 31.6 mm -98.38 133.88 39.02 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 123.96 0.904 . . . . 72.23 109.054 178.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 56.8 mt -111.02 149.17 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 107.163 -1.421 . . . . 73.13 107.163 167.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.3 t -143.3 131.72 22.21 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.47 1.108 . . . . 73.11 108.238 174.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -94.18 17.35 12.78 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.047 0.939 . . . . 70.53 111.038 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -154.25 145.26 22.7 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.797 0.839 . . . . 55.13 110.216 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -82.72 -27.39 31.19 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.991 0.916 . . . . 73.23 112.679 -172.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -71.93 -32.15 67.06 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 109.181 -0.674 . . . . 75.42 109.181 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.483 HD13 HG12 ' A' ' 32' ' ' VAL . 68.2 mt -65.26 -37.64 87.84 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 115.218 -0.901 . . . . 74.34 110.431 175.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.642 HD11 ' HB2' ' A' ' 8' ' ' ASN . 89.9 mt -57.38 -56.38 22.6 Favored 'General case' 0 C--N 1.366 1.289 0 O-C-N 124.079 0.862 . . . . 73.23 109.813 175.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -47.77 -53.16 16.15 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.169 1.388 . . . . 75.23 111.836 -173.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -62.33 -50.7 70.58 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 124.445 1.091 . . . . 74.3 111.754 178.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.548 ' SD ' HG21 ' A' ' 56' ' ' ILE . 24.0 ttm -62.03 -40.28 95.16 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.093 0.957 . . . . 52.5 111.456 -173.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.449 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 76.9 mt -54.69 -42.81 71.87 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.982 1.313 . . . . 73.34 111.373 177.087 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -75.78 -30.09 58.99 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.024 -0.989 . . . . 43.55 111.221 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.58 -38.42 84.02 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.014 0.526 . . . . 71.33 110.619 174.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.403 HD13 ' HB3' ' A' ' 4' ' ' LEU . 63.9 mt -72.16 -29.33 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 123.619 0.767 . . . . 73.53 110.071 176.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.8 t -68.02 -45.93 72.64 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.505 -0.771 . . . . 61.33 110.36 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -25.13 63.18 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.24 0.216 . . . . 55.33 111.341 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.86 -47.13 66.7 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 109.424 -0.584 . . . . 52.12 109.424 171.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.9 70.32 0.99 Allowed Glycine 0 C--N 1.344 1.01 0 CA-C-N 115.719 -0.673 . . . . 73.23 112.277 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -135.04 160.3 38.77 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.064 0.945 . . . . 71.23 109.443 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -73.15 115.09 12.07 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.367 -0.975 . . . . 63.43 108.367 171.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.2 t -97.18 115.67 37.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 123.408 0.683 . . . . 72.22 109.746 -173.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -104.65 143.09 33.55 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 107.666 -1.235 . . . . 72.32 107.666 172.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.504 HD11 HD13 ' A' ' 64' ' ' LEU . 61.4 tp -140.31 97.37 3.21 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.368 0.667 . . . . 71.12 109.625 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 40.7 tp -91.51 114.3 26.79 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 107.615 -1.254 . . . . 64.31 107.615 173.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 pp -120.81 146.97 45.98 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.35 0.523 . . . . 73.02 111.515 -175.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.433 ' HB3' HG23 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -147.22 157.73 43.7 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 123.988 0.915 . . . . 70.31 109.469 174.544 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.428 ' N ' HD11 ' A' ' 90' ' ' LEU . 22.6 t70 -161.12 174.57 13.5 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 114.424 -1.262 . . . . 72.12 108.099 176.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -62.4 -28.43 69.78 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.076 1.35 . . . . 75.13 111.608 174.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -129.13 134.81 48.21 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.019 0.927 . . . . 74.04 111.11 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.516 ' HA ' HD12 ' A' ' 90' ' ' LEU . 34.0 tt0 -81.92 -16.29 51.05 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.595 1.158 . . . . 73.13 112.411 -174.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -62.15 -48.58 79.46 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 122.943 0.497 . . . . 72.2 110.782 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -70.17 -22.04 63.0 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.328 -0.851 . . . . 71.04 111.296 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 87' ' ' GLU . 90.7 mt -82.4 -38.63 23.82 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.017 0.927 . . . . 72.01 112.09 -179.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.04 -35.44 64.33 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 110.008 -0.367 . . . . 71.21 110.008 -176.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 16.3 pt-20 -74.61 -37.61 62.79 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 116.002 -0.545 . . . . 74.14 110.406 177.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.549 ' O ' HG12 ' A' ' 97' ' ' ILE . 12.4 t80 -62.45 -51.76 66.24 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 108.919 -0.771 . . . . 53.14 108.919 176.188 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -54.06 -47.43 71.66 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.196 0.998 . . . . 70.34 111.709 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -69.09 -20.18 64.07 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 112.359 0.503 . . . . 75.33 112.359 -173.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 70.5 mmtt -71.6 -47.86 51.94 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.737 0.78 . . . . 60.44 109.307 169.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.549 HG12 ' O ' ' A' ' 93' ' ' PHE . 33.3 mm -69.43 -27.02 32.65 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.096 0 CA-C-N 114.291 -1.322 . . . . 74.21 111.474 -173.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -53.75 -45.05 70.44 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.319 1.047 . . . . 45.13 111.156 167.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.2 t -72.99 -19.55 61.19 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.779 0.831 . . . . 73.4 111.455 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -79.7 -19.99 47.58 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.105 0.562 . . . . 62.42 110.861 173.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.65 24.55 42.03 Favored Glycine 0 C--N 1.351 1.394 0 CA-C-N 115.988 -0.551 . . . . 73.12 112.875 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.51 ' HB2' HG22 ' A' ' 97' ' ' ILE . 11.1 m-30 -97.28 148.07 23.5 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.875 0.47 . . . . 72.5 109.832 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -78.07 88.22 4.2 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.471 0.653 . . . . 75.52 109.702 177.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.429 HG11 ' HB ' ' A' ' 97' ' ' ILE . 2.8 p -105.77 121.31 57.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-O 121.618 0.723 . . . . 74.43 110.502 -176.172 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -109.92 138.06 46.83 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 124.592 1.157 . . . . 74.35 109.394 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -111.99 129.83 56.06 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 123.595 0.758 . . . . 75.25 110.359 -175.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.433 HG23 ' HB3' ' A' ' 83' ' ' GLN . 32.7 m -138.37 175.09 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 108.063 -1.088 . . . . 55.11 108.063 173.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.1 m -141.42 -39.8 0.39 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.159 0.584 . . . . 62.05 109.76 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.435 ' HB3' ' HG3' ' A' ' 112' ' ' GLU . 13.7 t70 -86.13 156.01 20.53 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.33 -0.85 . . . . 72.31 110.509 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -53.79 -53.94 45.22 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.591 1.556 . . . . 71.13 111.962 177.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 9.8 pt-20 -63.2 -39.39 94.51 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 115.648 -0.705 . . . . 71.12 110.899 -174.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.435 ' HG3' ' HB3' ' A' ' 109' ' ' ASP . 61.5 mt-10 -61.77 -36.22 80.42 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 123.932 0.893 . . . . 73.23 111.397 -176.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.11 -47.89 82.59 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.656 -0.702 . . . . 64.12 110.465 176.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.408 HD22 ' HG3' ' A' ' 21' ' ' GLU . 74.0 mt -69.29 -25.28 64.16 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.502 0.721 . . . . 73.03 111.327 -176.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 111' ' ' GLU . 29.7 mmmt -60.06 -54.85 41.04 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.469 0.708 . . . . 63.34 109.822 173.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.528 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 12.1 mt -77.75 -23.57 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 115.374 -0.83 . . . . 61.31 111.875 -173.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 113' ' ' ALA . 78.2 t -56.46 -47.12 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 N-CA-C 109.35 -0.611 . . . . 71.1 109.35 168.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -71.08 -42.36 69.48 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 116.296 -0.411 . . . . 71.44 111.201 177.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.626 ' HB3' ' HE2' ' A' ' 123' ' ' LYS . 40.2 mt-10 -57.67 -37.05 72.74 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.085 0.554 . . . . 74.33 111.697 177.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -56.74 -41.26 77.23 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.873 0.469 . . . . 54.04 110.679 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.41 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 14.6 mmt -62.08 -23.88 66.77 Favored 'General case' 0 CA--C 1.553 1.074 0 O-C-N 123.921 0.763 . . . . 75.23 111.886 -174.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 20.6 pt20 -98.65 -33.85 10.79 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 122.8 0.44 . . . . 75.53 111.998 173.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.626 ' HE2' ' HB3' ' A' ' 119' ' ' GLU . 53.7 mttm -69.74 -22.46 63.37 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 122.867 0.467 . . . . 74.51 110.769 179.314 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -80.85 -8.2 59.65 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.656 0.783 . . . . 75.33 111.019 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -70.5 72.7 0.62 Allowed Glycine 0 C--N 1.355 1.619 0 N-CA-C 109.27 -1.532 . . . . 70.34 109.27 165.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.8 m -59.35 124.1 18.92 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 124.654 1.182 . . . . 74.44 112.242 -163.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.17 87.02 1.91 Allowed 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 104.578 -2.378 . . . . 72.22 104.578 163.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -52.23 102.54 0.05 Allowed 'General case' 0 CA--C 1.549 0.929 0 O-C-N 125.172 1.545 . . . . 73.15 112.502 -164.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -78.67 165.11 24.01 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 114.62 -1.173 . . . . 73.12 109.125 -177.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 59.55 24.76 13.52 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 125.732 1.613 . . . . 74.14 113.345 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -95.24 25.38 4.35 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.127 0.571 . . . . 63.51 110.934 170.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 65.6 m170 -86.22 51.41 2.21 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 107.832 -1.173 . . . . 72.45 107.832 164.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -170.81 111.54 0.38 Allowed 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 105.819 -1.919 . . . . 73.21 105.819 -165.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 118.826 -0.607 . . . . 72.33 111.444 -169.244 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 110.673 -0.121 . . . . 51.53 110.673 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -117.47 121.81 42.03 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 106.686 -1.598 . . . . 73.35 106.686 161.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 1.9 mp0 -99.53 137.39 38.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.127 0.571 . . . . 61.01 110.007 -178.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.441 HD23 HG23 ' A' ' 71' ' ' ILE . 3.8 mm? -118.04 113.11 21.15 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.36 -1.348 . . . . 64.43 107.36 173.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 tt -103.27 118.6 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 108.73 -0.841 . . . . 74.31 108.73 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 6' ' ' LEU . 3.9 mp -102.26 118.81 37.68 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.682 -0.859 . . . . 72.32 108.682 -176.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.679 HG21 HD13 ' A' ' 18' ' ' ILE . 2.2 mp -100.44 121.53 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 107.855 -1.165 . . . . 72.0 107.855 176.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.599 ' HB2' HD11 ' A' ' 64' ' ' LEU . 3.8 t-20 -111.13 112.05 23.57 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.295 -0.631 . . . . 73.24 109.295 173.26 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.2 t -146.96 135.4 21.86 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.135 -0.691 . . . . 61.14 109.135 165.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -76.58 -23.17 53.5 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.391 0.676 . . . . 74.4 109.793 173.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -68.56 93.26 0.49 Allowed 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 108.583 -0.895 . . . . 73.22 108.583 -178.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -61.3 -30.86 70.75 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.301 1.04 . . . . 71.41 112.379 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.52 -42.5 99.55 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.997 0.919 . . . . 72.45 109.521 176.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 110' ' ' ASP . 67.5 tp -69.7 -41.78 74.94 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 115.027 -0.988 . . . . 65.34 110.812 176.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.526 HG22 ' HE3' ' A' ' 19' ' ' LYS . 67.2 mt -53.23 -42.0 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 123.678 0.611 . . . . 75.25 110.087 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -61.9 -42.7 99.39 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 124.221 0.95 . . . . 75.42 111.614 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -64.51 -43.09 95.19 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.911 0.484 . . . . 62.34 110.392 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.679 HD13 HG21 ' A' ' 7' ' ' ILE . 82.7 mt -61.9 -40.57 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 124.37 1.044 . . . . 60.15 109.587 178.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.679 ' HG2' HG11 ' A' ' 29' ' ' VAL . 98.9 mttt -53.79 -56.18 19.81 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 124.081 0.863 . . . . 71.22 109.493 175.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -70.82 -21.05 62.51 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 112.677 0.621 . . . . 72.33 112.677 -172.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -64.31 -58.58 6.12 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 108.966 -0.753 . . . . 63.21 108.966 167.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.495 HG13 ' HB2' ' A' ' 27' ' ' TYR . 90.4 t -68.13 -33.97 63.96 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 CA-C-N 114.068 -1.424 . . . . 70.54 111.845 -170.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.48 -40.34 92.99 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.972 0.909 . . . . 52.5 109.84 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -78.77 -22.22 46.72 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.398 0.679 . . . . 72.22 111.051 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -87.89 -6.18 58.2 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.181 0.592 . . . . 61.12 111.369 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.0 6.43 66.98 Favored Glycine 0 C--N 1.348 1.202 0 N-CA-C 114.224 0.45 . . . . 43.21 114.224 170.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.495 ' HB2' HG13 ' A' ' 22' ' ' VAL . 2.4 m-85 -93.24 144.62 25.12 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.746 0.818 . . . . 64.11 109.301 177.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -76.86 133.15 39.4 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.581 -0.526 . . . . 73.15 109.581 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.679 HG11 ' HG2' ' A' ' 19' ' ' LYS . 20.1 t -96.1 108.84 21.78 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 N-CA-C 108.765 -0.828 . . . . 75.41 108.765 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.514 ' HB3' ' HA ' ' A' ' 56' ' ' ILE . 11.4 tpp180 -90.5 142.84 27.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.857 -1.164 . . . . 74.24 107.857 171.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -125.98 137.86 53.71 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.018 -0.734 . . . . 64.35 109.018 169.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.59 HG12 HD13 ' A' ' 63' ' ' LEU . 98.8 t -127.58 119.32 51.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 107.689 -1.226 . . . . 64.42 107.689 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -110.21 -16.6 13.72 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.134 0.974 . . . . 75.25 109.341 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -148.2 160.15 43.22 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.094 0.958 . . . . 64.43 109.472 -176.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m -59.64 -22.59 62.09 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.637 1.175 . . . . 33.22 112.694 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -68.88 -36.36 77.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.868 0.867 . . . . 75.15 110.41 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -80.83 -23.51 39.12 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 114.78 -1.1 . . . . 74.32 112.682 -169.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.505 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.5 pp -80.35 -47.27 14.73 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.39 0.138 . . . . 74.42 110.731 177.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -70.14 -25.6 63.54 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.937 0.495 . . . . 72.23 112.246 -171.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -71.72 -40.76 69.24 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 122.768 0.427 . . . . 74.24 111.138 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 2.4 pp20? -85.44 -28.23 25.2 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 115.996 -0.547 . . . . 71.21 110.197 -177.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.434 ' SD ' HD12 ' A' ' 45' ' ' LEU . 11.2 mmt -63.38 -32.03 73.34 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.065 0.946 . . . . 65.42 111.358 174.196 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -64.16 -50.11 69.46 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 115.884 -0.598 . . . . 73.05 109.666 169.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -60.01 -28.28 67.58 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.738 0.815 . . . . 74.01 112.371 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.615 ' HA ' ' HZ ' ' A' ' 51' ' ' PHE . 84.0 mt -62.17 -42.55 99.37 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.589 0.356 . . . . 72.4 110.558 174.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.428 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -76.53 -42.19 43.99 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.634 0.774 . . . . 64.23 111.732 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -71.77 -46.54 58.07 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.948 0.899 . . . . 71.42 112.117 -169.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.489 ' HB2' ' CE1' ' A' ' 51' ' ' PHE . 40.1 mm-40 -68.48 128.49 36.8 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 109.152 -0.684 . . . . 60.05 109.152 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -65.33 -54.38 29.75 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.366 1.066 . . . . 61.32 112.607 -167.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -143.5 119.5 10.68 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.082 0.553 . . . . 74.33 110.102 -175.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.615 ' HZ ' ' HA ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -166.37 171.16 12.29 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 124.234 1.014 . . . . 64.15 110.087 174.758 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.46 -168.11 1.87 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.04 0.936 . . . . 70.25 112.246 -173.117 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -97.07 134.05 40.93 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.497 1.119 . . . . 60.35 110.935 -170.386 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.6 mp -106.87 141.78 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 N-CA-C 109.064 -0.717 . . . . 75.52 109.064 -172.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 tt -90.83 118.91 30.62 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.828 -0.804 . . . . 64.41 108.828 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.514 ' HA ' ' HB3' ' A' ' 30' ' ' ARG . 22.3 mm -98.18 137.15 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 N-CA-C 108.881 -0.785 . . . . 64.25 108.881 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.409 HG12 ' HB ' ' A' ' 7' ' ' ILE . 54.0 mt -117.54 140.87 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 107.764 -1.199 . . . . 64.43 107.764 167.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.2 t -137.29 152.32 49.65 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.531 1.133 . . . . 71.21 109.163 174.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -95.38 -15.38 23.08 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.394 0.678 . . . . 74.53 110.906 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.466 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 17.6 t70 -129.76 143.78 50.98 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.355 0.662 . . . . 70.42 110.814 -170.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -77.73 -31.93 52.5 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.272 1.029 . . . . 73.41 113.0 -174.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.415 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 84.0 mm-40 -72.74 -21.94 60.94 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 110.453 -0.203 . . . . 70.43 110.453 177.384 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.59 HD13 HG12 ' A' ' 32' ' ' VAL . 71.9 mt -70.1 -44.42 69.07 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 122.976 0.51 . . . . 70.34 109.745 170.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 8' ' ' ASN . 71.5 mt -54.69 -51.26 66.09 Favored 'General case' 0 C--N 1.368 1.393 0 O-C-N 124.115 0.884 . . . . 64.11 109.445 176.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -52.53 -49.5 64.75 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 125.201 1.563 . . . . 72.12 111.482 -172.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 5.7 mm-40 -66.54 -41.32 88.91 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 123.703 0.627 . . . . 65.21 111.18 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 69.5 mtm -63.16 -45.88 89.77 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 118.842 -0.599 . . . . 72.02 111.872 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.517 HD11 HD22 ' A' ' 80' ' ' LEU . 67.2 mt -52.47 -37.13 56.41 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.914 0.885 . . . . 71.32 111.201 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -75.87 -38.64 57.72 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 114.761 -1.109 . . . . 75.35 111.078 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.468 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 90.2 mt -61.89 -52.04 65.71 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.507 0.723 . . . . 74.12 110.647 176.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.441 HG23 HD23 ' A' ' 4' ' ' LEU . 33.1 mt -55.14 -41.67 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 124.792 1.237 . . . . 75.23 110.711 177.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.4 t -65.05 -43.83 91.0 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 114.835 -1.075 . . . . 64.41 111.099 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -16.56 56.26 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.638 0.375 . . . . 50.45 111.596 -179.344 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 95.9 mt -74.76 -31.11 61.69 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.567 -0.531 . . . . 62.54 109.567 169.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.45 25.25 12.44 Favored Glycine 0 C--N 1.343 0.951 0 CA-C-N 115.565 -0.743 . . . . 72.45 111.752 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.431 ' HE2' ' HB3' ' A' ' 45' ' ' LEU . 23.0 m-30 -99.7 159.18 15.24 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.424 1.09 . . . . 52.05 110.868 178.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -73.76 122.55 22.58 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.856 0.723 . . . . 71.22 109.878 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.5 t -90.53 120.69 39.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 123.466 0.707 . . . . 73.53 109.819 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -130.35 131.74 45.5 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 107.404 -1.332 . . . . 74.12 107.404 171.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.567 HD11 HD13 ' A' ' 64' ' ' LEU . 41.2 tp -122.94 143.12 50.11 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.051 -1.092 . . . . 70.11 108.051 178.17 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.7 tp -145.48 113.93 6.7 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 106.793 -1.558 . . . . 73.34 106.793 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.74 137.93 53.84 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.97 0.891 . . . . 71.44 111.2 -176.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.472 ' HG2' ' HA ' ' A' ' 110' ' ' ASP . 0.5 OUTLIER -142.09 129.67 21.43 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 126.079 1.751 . . . . 62.15 107.397 -179.478 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.562 ' H ' HD11 ' A' ' 90' ' ' LEU . 8.0 m-20 -156.49 159.3 38.49 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.778 -1.193 . . . . 64.35 107.778 177.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -76.29 -22.71 54.73 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.471 -0.786 . . . . 72.22 109.683 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -90.86 92.48 8.8 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 123.661 0.784 . . . . 61.52 108.89 169.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -75.96 -24.26 55.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.987 0.515 . . . . 75.45 111.418 -177.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -62.2 -37.18 84.32 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.599 0.359 . . . . 73.4 111.188 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.57 -27.02 55.7 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.783 0.433 . . . . 75.44 111.212 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.562 HD11 ' H ' ' A' ' 84' ' ' ASP . 94.9 mt -67.36 -51.9 46.61 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.075 0.55 . . . . 74.4 110.813 176.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.88 -39.8 79.57 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.863 0.865 . . . . 64.01 111.802 -170.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 14.1 pt-20 -71.8 -36.08 70.17 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 122.787 0.435 . . . . 72.22 110.958 -176.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -74.81 -41.35 60.12 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.319 0.648 . . . . 75.42 110.215 176.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.456 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 25.8 ttpt -55.45 -51.16 67.84 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.827 0.851 . . . . 74.43 111.721 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -61.34 -26.46 67.83 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 124.164 0.915 . . . . 70.1 111.937 -175.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.488 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 33.3 mmtp -70.65 -40.99 72.73 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.069 0.548 . . . . 73.2 110.061 175.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 26.0 mm -69.03 -36.57 74.45 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 123.614 0.766 . . . . 65.32 110.122 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.24 -38.64 87.38 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.61 0.764 . . . . 62.4 110.832 171.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.0 t -68.35 -34.82 76.78 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.569 0.747 . . . . 75.11 110.318 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 82.7 mm-40 -72.18 -14.21 61.75 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.342 0.657 . . . . 73.22 110.831 175.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.53 7.05 72.67 Favored Glycine 0 C--N 1.35 1.318 0 C-N-CA 123.156 0.407 . . . . 53.42 113.14 175.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -85.96 149.52 25.13 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 123.06 0.544 . . . . 65.44 110.237 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -74.65 121.72 22.09 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-N 115.623 -0.717 . . . . 74.32 109.829 178.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.0 p -138.37 133.74 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 C-N-CA 123.905 0.882 . . . . 75.22 110.306 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -120.07 120.06 35.15 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.119 0.968 . . . . 75.02 109.622 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.456 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -105.58 135.44 46.98 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.862 -0.792 . . . . 75.5 108.862 178.474 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.478 ' HB ' ' HB2' ' A' ' 112' ' ' GLU . 27.4 m -133.0 148.26 31.43 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 C-N-CA 123.819 0.848 . . . . 73.1 109.68 178.193 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 m -81.02 -42.9 20.38 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.388 0.613 . . . . 61.04 109.745 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.471 ' HB3' ' HG3' ' A' ' 112' ' ' GLU . 4.3 t70 -101.09 151.33 21.94 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 114.953 -1.021 . . . . 55.3 111.241 -173.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.498 ' HB3' HD13 ' A' ' 14' ' ' LEU . 3.2 m-20 -64.54 -32.87 74.7 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 113.303 -1.771 . . . . 71.25 111.756 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.407 ' HA ' HD12 ' A' ' 114' ' ' LEU . 13.2 pt-20 -71.48 -32.5 68.33 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.578 0.751 . . . . 54.52 111.58 -178.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.478 ' HB2' ' HB ' ' A' ' 107' ' ' VAL . 37.8 mt-10 -70.03 -31.13 68.62 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.029 0.532 . . . . 72.1 110.32 -178.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.05 -44.08 97.46 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.761 -0.654 . . . . 63.24 110.47 172.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 111' ' ' GLU . 70.6 mt -65.27 -32.42 74.08 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.045 0.938 . . . . 43.44 110.667 -178.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -66.12 -48.19 71.69 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.753 -1.112 . . . . 72.11 110.488 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 60.3 mt -71.94 -27.15 26.69 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 C-N-CA 123.874 0.869 . . . . 72.22 111.613 -175.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 113' ' ' ALA . 67.7 t -56.62 -44.2 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 122.977 0.511 . . . . 61.44 110.494 173.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -71.39 -44.08 65.63 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.33 0.652 . . . . 61.0 110.914 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -59.94 -37.72 80.35 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.539 0.736 . . . . 73.32 112.22 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -50.67 -48.8 58.35 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.006 0.923 . . . . 65.12 111.554 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.7 mtt -64.16 -24.83 67.83 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 114.88 -1.055 . . . . 65.2 113.047 -170.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -99.2 -31.74 11.58 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.602 0.761 . . . . 55.32 111.736 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -83.77 -60.79 2.01 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.683 0.793 . . . . 74.4 111.041 -175.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.457 ' HB1' ' HG2' ' A' ' 3' ' ' GLU . . . -64.29 -27.78 69.27 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.8 0.84 . . . . 55.24 111.664 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.44 -0.96 26.35 Favored Glycine 0 C--N 1.356 1.651 0 O-C-N 124.155 0.91 . . . . 65.53 113.884 174.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.4 m 65.57 14.7 9.65 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 125.529 1.532 . . . . 72.23 112.615 170.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 52.6 tp -131.96 77.42 1.76 Allowed 'General case' 0 C--O 1.236 0.394 0 N-CA-C 107.619 -1.252 . . . . 75.13 107.619 -175.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.95 149.37 26.36 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 114.071 -1.422 . . . . 74.04 109.69 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 53.89 85.47 0.05 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.717 1.207 . . . . 74.42 110.372 -178.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -69.98 107.68 3.71 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.471 0.653 . . . . 73.12 110.979 -170.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -110.85 138.82 46.77 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.107 1.363 . . . . 73.34 110.086 -169.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 37.2 m80 61.91 21.9 12.64 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 124.851 1.26 . . . . 74.53 110.639 -164.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 66.51 17.61 10.67 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 125.027 1.331 . . . . 70.4 110.516 -173.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 54.8 t60 . . . . . 0 C--O 1.256 1.443 0 C-N-CA 124.854 1.262 . . . . 75.34 108.308 176.916 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.503 ' HD3' HD13 ' A' ' 54' ' ' ILE . 23.2 ttmm . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 108.69 -0.856 . . . . 71.450000000000003 108.69 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.444 ' HG2' ' HD2' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -110.08 145.27 37.39 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.627 0.771 . . . . 74.519999999999996 109.074 -176.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.412 HD11 HD13 ' A' ' 45' ' ' LEU . 4.4 mm? -126.84 115.02 18.69 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.595 1.158 . . . . 75.530000000000001 109.11 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.0 tt -110.36 123.29 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 109.136 -0.69 . . . . 73.109999999999999 109.136 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.493 ' HB3' HD22 ' A' ' 64' ' ' LEU . 5.9 mp -103.36 120.18 40.3 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.132 0.973 . . . . 75.530000000000001 108.436 -178.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.485 HG21 HD13 ' A' ' 18' ' ' ILE . 2.0 mp -100.56 135.02 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 108.319 -0.993 . . . . 62.140000000000001 108.319 175.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -116.05 108.98 16.89 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 107.959 -1.126 . . . . 74.329999999999998 107.959 173.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 t -147.66 137.29 22.64 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 122.779 0.432 . . . . 62.109999999999999 109.912 171.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -92.36 -7.3 48.18 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.334 0.654 . . . . 55.340000000000003 110.891 172.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -80.21 97.2 6.83 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 109.23 -0.656 . . . . 44.340000000000003 109.23 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -44.51 -48.57 10.16 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.578 1.551 . . . . 63.039999999999999 112.96 178.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.25 -36.04 82.91 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.001 -0.999 . . . . 75.409999999999997 111.013 -175.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.589 HD13 ' HB2' ' A' ' 110' ' ' ASP . 49.5 tp -68.0 -42.15 81.15 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 119.311 -0.376 . . . . 73.319999999999993 110.338 176.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.577 HG23 HG21 ' A' ' 57' ' ' ILE . 73.3 mt -51.56 -45.37 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 123.375 0.67 . . . . 64.549999999999997 110.601 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -67.99 -38.19 82.37 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.679 -0.691 . . . . 73.219999999999999 112.071 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HE2' HD11 ' A' ' 114' ' ' LEU . 57.3 mtpt -63.42 -38.01 89.49 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 122.946 0.498 . . . . 74.439999999999998 110.925 177.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.58 ' O ' HG23 ' A' ' 22' ' ' VAL . 87.2 mt -63.83 -49.79 80.41 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 108.452 -0.944 . . . . 70.219999999999999 108.452 177.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.555 ' HE3' HG22 ' A' ' 15' ' ' ILE . 95.5 mttt -52.76 -42.69 65.21 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 124.053 0.845 . . . . 72.510000000000005 111.346 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -57.61 -51.13 70.74 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 123.916 0.76 . . . . 62.350000000000001 110.445 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 33.3 mm-40 -56.92 -43.61 81.6 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 124.007 0.817 . . . . 74.109999999999999 111.776 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.586 HG13 ' HB2' ' A' ' 27' ' ' TYR . 58.8 t -69.51 -33.35 56.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.999 0.919 . . . . 72.0 110.622 -175.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 15.3 mm-40 -73.01 -30.15 63.55 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.204 0.602 . . . . 74.109999999999999 110.892 174.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -69.01 -35.25 76.45 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.264 0.626 . . . . 74.140000000000001 110.197 176.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 61.5 mm-40 -85.67 -26.59 25.87 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.815 -0.63 . . . . 60.0 110.948 -178.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.44 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . 98.2 8.69 54.89 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 115.818 -0.628 . . . . 65.349999999999994 113.683 178.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.586 ' HB2' HG13 ' A' ' 22' ' ' VAL . 2.0 m-85 -76.57 162.47 27.74 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 117.374 0.587 . . . . 62.43 110.384 178.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.604 ' HB2' HG13 ' A' ' 54' ' ' ILE . 19.7 mm-40 -94.54 112.82 24.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.106 0.562 . . . . 72.340000000000003 109.984 -173.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.509 HG11 ' HG2' ' A' ' 19' ' ' LYS . 34.8 t -79.72 124.36 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 C-N-CA 122.847 0.459 . . . . 70.430000000000007 109.878 176.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -131.68 128.57 39.27 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.611 -0.885 . . . . 75.200000000000003 108.611 167.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -92.93 135.95 33.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.198 0.999 . . . . 73.140000000000001 109.857 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.525 HG11 ' HB3' ' A' ' 38' ' ' LEU . 92.1 t -126.79 119.23 52.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 N-CA-C 107.762 -1.199 . . . . 61.450000000000003 107.762 171.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -135.68 15.81 3.37 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.047 0.939 . . . . 60.109999999999999 109.185 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.405 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 20.4 t70 -152.37 146.01 25.01 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 124.27 1.028 . . . . 74.420000000000002 108.837 -173.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.7 p -71.88 -26.2 62.25 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.822 0.849 . . . . 61.200000000000003 112.532 -172.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 30.1 t70 -83.26 -31.11 27.12 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.881 0.473 . . . . 73.519999999999996 110.444 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.474 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 41.0 mm-40 -63.19 -38.35 90.81 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.555 0.576 . . . . 64.409999999999997 112.555 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.525 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.5 pp -65.83 -39.67 91.03 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 111.772 0.286 . . . . 75.25 111.772 -175.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 16.7 ptpt -75.25 -24.34 57.62 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.75 0.42 . . . . 72.219999999999999 110.72 -176.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' ' 37' ' ' GLU . 57.9 mtpt -65.77 -52.83 47.68 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 108.53 -0.915 . . . . 73.439999999999998 108.53 168.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.544 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 41.0 mm-40 -57.9 -44.0 86.47 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 115.58 -0.736 . . . . 74.120000000000005 112.129 -176.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.449 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 33.9 mmt -55.14 -35.41 64.68 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.091 0.556 . . . . 73.450000000000003 111.841 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -75.73 -42.19 51.35 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.787 -0.642 . . . . 73.409999999999997 110.278 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.438 ' HE2' ' N ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -57.82 -41.14 81.6 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.248 0.619 . . . . 73.430000000000007 110.382 178.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 64.1 mt -65.29 -40.06 93.37 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.332 1.053 . . . . 73.200000000000003 111.06 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.46 -39.92 70.66 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.589 -0.732 . . . . 73.450000000000003 111.239 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -72.82 -35.66 67.35 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.605 0.762 . . . . 73.420000000000002 111.366 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -105.45 111.63 24.41 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.265 0.626 . . . . 73.040000000000006 109.788 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -97.16 -66.7 0.89 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.243 0.617 . . . . 64.510000000000005 110.227 -173.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -81.97 83.35 7.28 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 115.194 -0.912 . . . . 65.340000000000003 110.868 -171.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.467 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 2.2 p90 -167.32 -178.56 4.1 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 125.064 1.346 . . . . 75.329999999999998 107.608 166.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 27' ' ' TYR . 10.3 tp10 -54.5 151.35 7.93 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.471 1.108 . . . . 75.120000000000005 112.816 -175.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.444 ' HD2' ' HG2' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -75.34 147.26 40.25 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.327 0.651 . . . . 44.520000000000003 110.609 174.594 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.604 HG13 ' HB2' ' A' ' 28' ' ' GLN . 2.0 mp -102.32 144.2 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 115.501 -0.772 . . . . 55.020000000000003 110.941 -165.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.581 HD22 HG21 ' A' ' 22' ' ' VAL . 6.1 tt -113.83 116.46 29.36 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.842 1.257 . . . . 65.200000000000003 108.028 173.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 30.5 mm -98.15 129.67 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.213 -1.032 . . . . 45.210000000000001 108.213 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.577 HG21 HG23 ' A' ' 15' ' ' ILE . 56.3 mt -109.45 139.3 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 108.591 -0.892 . . . . 63.420000000000002 108.591 170.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.541 ' HB3' HD21 ' A' ' 64' ' ' LEU . 32.4 t -149.5 163.59 37.38 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.957 0.903 . . . . 72.109999999999999 109.652 174.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -113.7 -13.89 12.64 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.201 1.0 . . . . 73.150000000000006 110.711 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -113.62 132.78 55.62 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.955 0.902 . . . . 71.329999999999998 110.017 -172.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -75.12 -33.28 61.57 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.386 1.074 . . . . 62.020000000000003 112.448 -174.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -64.51 -33.7 76.5 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.696 0.622 . . . . 74.549999999999997 109.929 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.484 HD13 HG12 ' A' ' 32' ' ' VAL . 35.5 mt -66.01 -56.45 11.54 Favored 'General case' 0 C--N 1.356 0.855 0 O-C-N 124.228 0.955 . . . . 42.039999999999999 109.499 176.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 58' ' ' SER . 73.7 mt -53.88 -44.29 70.33 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 114.631 -1.168 . . . . 73.409999999999997 111.506 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -62.75 -35.45 79.83 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 124.702 1.251 . . . . 74.140000000000001 110.789 -175.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.78 -54.99 34.88 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 123.522 0.514 . . . . 74.310000000000002 110.325 169.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.506 ' SD ' ' HB2' ' A' ' 38' ' ' LEU . 3.3 mpp? -63.27 -33.06 74.68 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.944 0.72 . . . . 50.299999999999997 112.944 -173.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 86.1 mt -55.81 -38.02 69.42 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 122.979 0.512 . . . . 64.120000000000005 110.913 175.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -82.81 -39.4 21.79 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.044 0.938 . . . . 74.420000000000002 111.777 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.4 HD13 ' HG3' ' A' ' 42' ' ' MET . 96.7 mt -67.12 -51.07 58.66 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.633 0.773 . . . . 75.209999999999994 110.979 -175.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.09 -31.41 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 124.743 1.217 . . . . 64.340000000000003 110.922 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.2 t -68.29 -29.26 67.99 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.494 0.717 . . . . 52.109999999999999 111.124 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -77.95 -40.43 39.45 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.857 0.863 . . . . 74.200000000000003 110.642 172.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.6 -26.27 68.61 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-N 115.048 -0.978 . . . . 74.010000000000005 110.938 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.58 53.01 2.85 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.62 0.575 . . . . 72.239999999999995 112.751 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -127.24 168.56 14.56 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.623 0.769 . . . . 70.510000000000005 109.824 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -73.29 115.88 13.17 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 108.495 -0.928 . . . . 73.109999999999999 108.495 172.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 44.3 t -89.85 137.76 20.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 N-CA-C 108.17 -1.048 . . . . 71.239999999999995 108.17 174.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -143.6 141.43 30.63 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 107.187 -1.412 . . . . 74.340000000000003 107.187 173.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.432 HD22 HD11 ' A' ' 68' ' ' LEU . 42.2 tp -129.35 139.52 51.69 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 108.565 -0.902 . . . . 63.310000000000002 108.565 177.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.0 tp -142.24 126.64 17.72 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 106.142 -1.799 . . . . 61.149999999999999 106.142 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 pp -137.26 145.08 43.11 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.234 0.54 . . . . 50.530000000000001 111.19 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.17 142.1 18.05 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 107.395 -1.335 . . . . 73.219999999999999 107.395 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.465 ' H ' HD11 ' A' ' 90' ' ' LEU . 34.1 t70 -165.05 167.28 18.5 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 109.459 -0.571 . . . . 70.219999999999999 109.459 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -66.02 -29.48 69.85 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.0 1.32 . . . . 74.099999999999994 110.667 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -95.42 99.02 10.99 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.12 0.968 . . . . 70.549999999999997 110.302 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -63.68 -36.7 84.72 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.475 0.71 . . . . 73.230000000000004 111.14 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -59.79 -39.12 83.89 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.007 0.923 . . . . 71.019999999999996 110.573 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -72.93 -30.45 63.89 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.733 -0.667 . . . . 71.230000000000004 111.934 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.465 HD11 ' H ' ' A' ' 84' ' ' ASP . 96.5 mt -68.32 -52.02 38.15 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.138 0.575 . . . . 65.230000000000004 111.081 178.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.31 -36.79 82.23 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.729 0.812 . . . . 65.310000000000002 112.56 -174.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -71.35 -34.36 70.42 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.308 0.243 . . . . 71.299999999999997 111.462 -177.617 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.438 ' O ' HG12 ' A' ' 97' ' ' ILE . 34.7 t80 -71.57 -48.33 49.14 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.84 0.456 . . . . 63.439999999999998 110.151 173.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.53 ' HD2' ' HB2' ' A' ' 106' ' ' LYS . 55.3 tttm -58.84 -46.08 88.56 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.903 0.881 . . . . 73.129999999999995 112.44 -174.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -59.61 -31.19 69.25 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 122.848 0.459 . . . . 70.439999999999998 112.026 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 2.2 mmmp? -72.15 -40.11 68.26 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.47 0.708 . . . . 65.099999999999994 109.982 177.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.453 HG22 ' HB2' ' A' ' 102' ' ' TYR . 31.1 mm -69.65 -33.73 57.98 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.152 0 C-N-CA 123.718 0.807 . . . . 73.319999999999993 110.709 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.94 -32.85 73.58 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.539 0.736 . . . . 71.140000000000001 111.059 171.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.3 t -72.42 -23.61 61.11 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.348 0.659 . . . . 74.430000000000007 110.739 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 78.3 mt-30 -80.31 -20.5 44.16 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.533 0.733 . . . . 63.399999999999999 110.319 170.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.59 38.6 8.1 Favored Glycine 0 C--N 1.357 1.699 0 C-N-CA 123.542 0.591 . . . . 64.340000000000003 113.113 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.453 ' HB2' HG22 ' A' ' 97' ' ' ILE . 69.5 m-85 -110.86 145.8 37.61 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.137 0.575 . . . . 74.230000000000004 110.92 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -68.58 101.77 1.34 Allowed 'General case' 0 CA--C 1.545 0.762 0 O-C-N 124.164 0.915 . . . . 72.439999999999998 109.409 171.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.4 p -124.03 131.2 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 124.609 1.164 . . . . 53.299999999999997 109.741 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -109.12 148.86 30.19 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.461 0.704 . . . . 75.140000000000001 109.313 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.53 ' HB2' ' HD2' ' A' ' 94' ' ' LYS . 28.2 ttpp -133.25 129.69 37.99 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.406 0.683 . . . . 64.400000000000006 109.659 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 32.8 m -140.96 162.37 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 123.25 0.62 . . . . 72.120000000000005 109.98 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.3 m -103.45 -52.63 2.96 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.762 0.825 . . . . 64.0 109.154 -176.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.458 ' HB3' ' HG2' ' A' ' 111' ' ' GLU . 1.9 m-20 -77.85 144.66 36.81 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 124.152 0.981 . . . . 72.140000000000001 110.245 177.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.589 ' HB2' HD13 ' A' ' 14' ' ' LEU . 1.3 p-10 -65.58 -30.14 70.83 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.196 -0.911 . . . . 42.450000000000003 110.928 177.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.458 ' HG2' ' HB3' ' A' ' 109' ' ' ASP . 15.2 pt-20 -62.54 -38.1 88.7 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.555 0.742 . . . . 73.420000000000002 111.471 -178.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.16 -38.55 85.67 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.814 0.846 . . . . 74.120000000000005 110.275 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.449 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -61.63 -42.69 99.25 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 115.289 -0.869 . . . . 72.420000000000002 110.414 175.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.417 HD11 ' HE2' ' A' ' 17' ' ' LYS . 98.0 mt -66.2 -33.79 76.56 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.692 0.797 . . . . 72.219999999999999 111.253 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -62.08 -49.72 74.83 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 123.59 0.557 . . . . 71.549999999999997 109.707 174.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 74.6 mt -70.3 -30.04 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 O-C-N 123.999 0.812 . . . . 60.530000000000001 111.452 -175.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 113' ' ' ALA . 55.2 t -59.28 -47.3 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 N-CA-C 109.372 -0.603 . . . . 74.099999999999994 109.372 170.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -70.15 -38.44 75.47 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.945 0.498 . . . . 75.329999999999998 111.433 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -59.55 -40.57 87.7 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.627 0.771 . . . . 74.430000000000007 111.718 176.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -60.12 -36.52 77.65 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 123.963 0.789 . . . . 62.130000000000003 110.659 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.505 ' HG3' ' HG3' ' A' ' 25' ' ' GLN . 22.9 mmt -57.15 -29.37 63.55 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.736 0.643 . . . . 64.329999999999998 112.736 -175.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 . . . . . 0 N--CA 1.487 1.392 0 C-N-CA 122.893 0.477 . . . . 62.509999999999998 111.271 174.873 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mttm . . . . . 0 N--CA 1.47 0.567 0 N-CA-C 108.367 -0.975 . . . . 73.430000000000007 108.367 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -96.02 108.9 21.36 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.491 -0.929 . . . . 71.239999999999995 108.491 171.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -93.93 109.39 21.11 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 107.01 -1.478 . . . . 64.409999999999997 107.01 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.0 tt -101.36 119.05 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 108.997 -0.742 . . . . 62.32 108.997 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mp -104.41 122.48 45.58 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.846 -1.168 . . . . 72.120000000000005 107.846 175.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.484 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 3.0 mp -97.71 136.05 29.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 N-CA-C 107.319 -1.363 . . . . 73.230000000000004 107.319 173.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.542 ' HB2' HD11 ' A' ' 64' ' ' LEU . 4.3 t-20 -115.37 124.61 51.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.824 -1.547 . . . . 74.319999999999993 106.824 169.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.446 ' HA ' ' HG3' ' A' ' 83' ' ' GLN . 1.4 t -145.69 139.76 26.78 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.029 0.443 . . . . 53.439999999999998 110.331 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -86.29 -19.26 30.14 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.329 -0.85 . . . . 63.310000000000002 109.582 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -90.37 112.01 23.45 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.226 0.611 . . . . 74.140000000000001 109.901 -176.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -58.19 -46.08 86.44 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.75 1.22 . . . . 73.310000000000002 112.355 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.31 -32.92 70.88 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.011 -0.995 . . . . 74.010000000000005 110.4 -176.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.431 ' O ' HG13 ' A' ' 18' ' ' ILE . 52.6 tp -65.26 -37.95 88.81 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 118.977 -0.535 . . . . 74.25 110.148 177.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.52 HG23 HG21 ' A' ' 57' ' ' ILE . 54.9 mt -50.77 -50.11 24.14 Favored 'Isoleucine or valine' 0 C--N 1.367 1.351 0 O-C-N 123.858 0.724 . . . . 75.200000000000003 109.821 173.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 62.5 mttp -67.61 -36.0 80.01 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.617 -1.174 . . . . 62.210000000000001 111.925 -175.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HE2' HD11 ' A' ' 114' ' ' LEU . 61.0 mtpt -66.57 -40.21 88.87 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.953 0.501 . . . . 74.430000000000007 110.386 176.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 22' ' ' VAL . 95.2 mt -62.12 -43.95 98.42 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 CA-C-N 115.357 -0.838 . . . . 75.010000000000005 109.255 175.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.476 ' HE3' HG22 ' A' ' 15' ' ' ILE . 94.9 mttt -54.0 -50.78 65.84 Favored 'General case' 0 C--N 1.358 0.97 0 O-C-N 123.942 0.776 . . . . 72.420000000000002 110.164 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 14.5 mmmm -63.19 -39.58 95.04 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 124.078 0.861 . . . . 74.200000000000003 111.666 -175.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 26.7 mm-40 -51.92 -53.42 41.26 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 121.578 0.704 . . . . 65.420000000000002 110.171 173.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 18' ' ' ILE . 28.1 t -76.78 -22.42 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-N 113.976 -1.466 . . . . 73.510000000000005 111.897 -170.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 64.2 mm-40 -62.04 -46.3 89.77 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.388 0.675 . . . . 73.319999999999993 109.53 171.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -73.96 -20.48 60.34 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.719 -0.673 . . . . 71.299999999999997 111.24 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 6.6 mm-40 -81.02 -16.78 52.42 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 110.394 -0.224 . . . . 72.340000000000003 110.394 173.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.8 27.95 57.78 Favored Glycine 0 C--N 1.346 1.114 0 O-C-N 123.265 0.353 . . . . 74.340000000000003 113.689 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.474 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 2.6 m-85 -96.12 166.07 11.93 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.359 0.664 . . . . 72.430000000000007 109.841 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.478 ' HB2' HG23 ' A' ' 54' ' ' ILE . 0.8 OUTLIER -87.42 115.06 24.58 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.097 -1.075 . . . . 62.450000000000003 108.097 -179.576 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.416 HG11 ' HG2' ' A' ' 19' ' ' LYS . 17.7 t -104.58 114.2 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 122.842 0.457 . . . . 54.229999999999997 110.555 -176.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -125.91 135.68 52.18 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 108.535 -0.913 . . . . 74.510000000000005 108.535 170.202 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -114.1 116.17 28.71 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 108.366 -0.976 . . . . 73.200000000000003 108.366 172.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.646 HG12 HD13 ' A' ' 63' ' ' LEU . 79.6 t -86.76 122.21 38.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 114.901 -1.045 . . . . 63.149999999999999 109.303 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -114.24 2.79 14.92 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.552 0.741 . . . . 73.409999999999997 110.953 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -160.86 152.06 18.96 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.718 0.807 . . . . 71.519999999999996 110.056 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.7 m -62.77 -21.88 66.18 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.906 0.882 . . . . 75.430000000000007 113.19 -175.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -73.24 -26.97 61.33 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.098 0.559 . . . . 63.32 110.215 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.55 ' HB2' HG13 ' A' ' 32' ' ' VAL . 7.9 mm-40 -75.17 -47.8 26.66 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.61 0.764 . . . . 71.420000000000002 111.296 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.572 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.6 pp -64.54 -40.35 95.44 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.344 0.257 . . . . 71.540000000000006 111.546 -174.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -63.39 -30.23 71.39 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 123.35 0.406 . . . . 73.5 111.716 -174.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -55.93 -57.79 10.63 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 123.939 0.774 . . . . 63.030000000000001 110.131 176.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.1 pt-20 -82.56 -27.09 31.83 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 114.122 -1.399 . . . . 52.43 112.651 -169.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.8 mmt -60.64 -38.98 86.6 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 121.083 0.468 . . . . 55.310000000000002 109.757 174.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -64.99 -45.94 83.51 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.228 -0.896 . . . . 74.120000000000005 110.449 172.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -62.44 -25.74 68.13 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 112.77 0.656 . . . . 74.5 112.77 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 84.5 mt -69.89 -34.96 74.23 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 118.099 0.409 . . . . 75.5 110.587 175.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.1 -24.81 65.97 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.634 0.774 . . . . 61.200000000000003 111.886 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -99.2 -55.5 2.67 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.441 0.696 . . . . 73.430000000000007 110.925 -176.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -78.42 108.02 11.47 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.427 0.691 . . . . 71.049999999999997 109.585 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -106.32 -33.27 7.82 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.439 0.696 . . . . 73.140000000000001 111.367 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -88.92 75.27 8.08 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 121.385 0.612 . . . . 72.120000000000005 110.651 -177.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.429 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -174.41 159.41 3.04 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.349 1.46 . . . . 72.120000000000005 107.933 169.418 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.48 171.38 13.87 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.466 0.65 . . . . 64.409999999999997 111.477 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.521 ' HD3' ' H ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -63.1 154.55 30.63 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 114.541 -1.208 . . . . 70.420000000000002 113.072 -179.559 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.478 HG23 ' HB2' ' A' ' 28' ' ' GLN . 3.3 mp -110.12 146.49 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-N 113.899 -1.501 . . . . 74.019999999999996 109.841 -171.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tt -106.11 120.51 41.98 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.674 0.79 . . . . 62.240000000000002 110.181 173.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 37.9 mm -112.67 146.53 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.334 1.053 . . . . 41.030000000000001 110.123 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.52 HG21 HG23 ' A' ' 15' ' ' ILE . 48.3 mt -125.78 157.83 35.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 N-CA-C 107.977 -1.12 . . . . 63.340000000000003 107.977 172.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.6 t -153.84 156.04 36.88 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.138 0.975 . . . . 71.239999999999995 109.304 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -108.0 6.05 26.75 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.635 0.774 . . . . 73.230000000000004 110.468 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -138.65 146.32 41.52 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.999 0.52 . . . . 61.200000000000003 111.692 -175.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -75.13 -39.31 60.61 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.832 1.253 . . . . 75.409999999999997 111.504 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -65.97 -33.88 76.83 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.393 0.677 . . . . 72.140000000000001 110.56 -173.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.646 HD13 HG12 ' A' ' 32' ' ' VAL . 80.9 mt -65.01 -45.3 86.09 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.525 0.73 . . . . 75.129999999999995 110.075 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 8' ' ' ASN . 56.6 mt -56.1 -50.68 70.37 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 114.928 -1.033 . . . . 63.509999999999998 109.626 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -54.36 -45.82 72.85 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 124.665 1.228 . . . . 65.430000000000007 111.313 -175.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -56.14 -56.56 19.37 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.93 0.769 . . . . 75.099999999999994 111.072 174.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 25.4 mtt -59.21 -48.07 82.97 Favored 'General case' 0 C--O 1.211 -0.959 0 O-C-N 124.19 0.932 . . . . 63.229999999999997 111.405 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.545 HD11 HD22 ' A' ' 80' ' ' LEU . 76.1 mt -54.94 -43.8 73.72 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.843 0.857 . . . . 70.519999999999996 111.558 -176.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.81 -35.52 74.88 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.782 0.833 . . . . 75.450000000000003 111.051 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 95.3 mt -70.17 -49.05 54.4 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.025 0.53 . . . . 74.329999999999998 111.279 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 76.7 mt -62.38 -29.31 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 124.571 1.149 . . . . 72.530000000000001 110.401 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.9 t -66.44 -44.04 83.97 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 115.362 -0.835 . . . . 64.120000000000005 110.89 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 14.0 ptmm? -79.19 -20.69 47.75 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 122.36 0.264 . . . . 73.129999999999995 110.815 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 86.2 mt -72.57 -33.95 67.12 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 109.202 -0.666 . . . . 64.310000000000002 109.202 169.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.23 70.89 1.31 Allowed Glycine 0 C--N 1.346 1.088 0 CA-C-N 115.395 -0.821 . . . . 61.219999999999999 111.88 177.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -133.69 171.29 14.33 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.702 0.801 . . . . 74.420000000000002 110.181 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.415 ' HE3' ' HA ' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -76.41 109.7 10.33 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 109.013 -0.736 . . . . 74.219999999999999 109.013 172.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.4 t -92.91 111.14 24.09 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 123.453 0.701 . . . . 75.040000000000006 109.979 -176.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -112.55 144.17 42.47 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.499 1.119 . . . . 73.450000000000003 108.676 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.545 HD22 HD11 ' A' ' 68' ' ' LEU . 66.2 tp -143.23 108.51 5.01 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.388 0.675 . . . . 73.409999999999997 109.738 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.484 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 48.5 tp -102.15 114.45 28.6 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 108.662 -0.866 . . . . 64.450000000000003 108.662 173.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 pp -118.39 145.52 45.11 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.832 -0.542 . . . . 72.299999999999997 111.47 -175.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.446 ' HG3' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -146.64 145.3 30.0 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 124.039 0.935 . . . . 74.420000000000002 109.452 -178.849 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -161.11 169.23 22.78 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 114.8 -1.091 . . . . 64.329999999999998 108.232 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -85.69 1.28 50.05 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.357 0.663 . . . . 74.129999999999995 111.594 -178.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -125.71 149.25 48.66 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.194 0.998 . . . . 65.140000000000001 109.609 175.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -80.88 -48.53 12.23 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.888 0.875 . . . . 72.219999999999999 111.157 -176.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -61.82 -41.83 98.26 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 115.198 -0.91 . . . . 73.310000000000002 111.875 -171.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.14 -28.98 70.02 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.901 0.88 . . . . 52.439999999999998 111.565 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 90.6 mt -81.18 -53.68 6.17 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.475 0.71 . . . . 64.530000000000001 111.756 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -70.76 -25.53 62.94 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 123.536 0.523 . . . . 74.319999999999993 111.829 -170.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.24 -43.25 70.96 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 123.433 0.458 . . . . 71.540000000000006 110.351 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.532 ' O ' HG12 ' A' ' 97' ' ' ILE . 41.4 t80 -71.24 -45.82 62.39 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 108.971 -0.752 . . . . 72.030000000000001 108.971 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -51.31 -54.1 29.39 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.661 1.184 . . . . 71.299999999999997 112.287 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -61.42 -34.78 75.96 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 123.388 0.43 . . . . 73.430000000000007 111.279 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 12.4 mmmm -63.19 -43.81 97.14 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.112 0.565 . . . . 74.040000000000006 110.741 175.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 93' ' ' PHE . 36.1 mm -72.7 -33.34 44.08 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.203 0 C-N-CA 123.396 0.679 . . . . 75.439999999999998 111.267 -177.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -65.26 -34.24 77.88 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.438 0.695 . . . . 71.099999999999994 110.651 169.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.3 t -72.36 -26.91 62.09 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.489 0.716 . . . . 64.409999999999997 110.776 175.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 25.0 mm-40 -76.1 -23.41 54.93 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 109.638 -0.505 . . . . 73.200000000000003 109.638 171.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 104.71 2.41 43.15 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-O 119.658 -0.523 . . . . 61.420000000000002 113.766 173.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.439 ' HB2' HG22 ' A' ' 97' ' ' ILE . 19.2 m-85 -82.32 151.82 26.55 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.042 0.537 . . . . 63.310000000000002 111.483 -174.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -77.08 92.08 3.72 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.208 1.003 . . . . 75.409999999999997 109.634 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.9 p -113.95 130.13 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 121.479 0.656 . . . . 61.43 110.965 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -119.28 148.29 43.31 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.322 1.049 . . . . 51.299999999999997 109.596 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -118.29 152.65 35.35 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.189 0.518 . . . . 74.010000000000005 110.676 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.5 m -145.97 133.78 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 125.135 1.374 . . . . 75.319999999999993 107.464 173.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.4 m -103.61 12.94 34.3 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 121.532 0.682 . . . . 75.120000000000005 110.122 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -131.57 150.81 52.02 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.388 1.075 . . . . 74.439999999999998 110.202 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -69.01 -48.25 63.46 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.878 1.271 . . . . 75.109999999999999 112.493 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.94 -34.74 78.8 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.248 0.619 . . . . 73.109999999999999 111.375 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -68.2 -30.62 69.75 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.451 -0.795 . . . . 72.120000000000005 110.573 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -65.2 -51.1 63.14 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 123.279 0.631 . . . . 73.319999999999993 110.647 176.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.421 HD11 ' HE2' ' A' ' 17' ' ' LYS . 95.8 mt -59.05 -37.68 77.59 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.402 0.681 . . . . 64.540000000000006 110.558 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -66.6 -50.26 63.62 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 114.148 -1.387 . . . . 74.040000000000006 111.224 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 27.1 mt -71.23 -27.69 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 122.481 0.312 . . . . 75.010000000000005 111.159 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 113' ' ' ALA . 38.7 t -58.79 -50.74 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 122.963 0.505 . . . . 53.039999999999999 110.75 173.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.7 ptm85 -78.54 -22.78 46.74 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 116.576 -0.284 . . . . 62.43 111.587 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -65.74 -39.35 91.01 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.957 0.503 . . . . 75.439999999999998 111.138 168.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' A' ' 117' ' ' VAL . 0.5 OUTLIER -49.52 -38.69 31.52 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.429 1.091 . . . . 75.420000000000002 111.3 -177.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 18.8 mmt -52.91 -33.38 50.14 Favored 'General case' 0 CA--C 1.551 0.995 0 O-C-N 124.571 1.17 . . . . 74.25 111.7 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 . . . . . 0 CA--C 1.56 1.332 0 C-N-CA 123.664 0.786 . . . . 72.420000000000002 111.848 172.324 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.7 mttp . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 120.939 0.399 . . . . 72.239999999999995 109.998 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 4.8 mm-40 -96.57 117.8 31.71 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 107.622 -1.251 . . . . 73.209999999999994 107.622 176.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -108.51 113.32 26.25 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 122.091 -0.381 . . . . 72.400000000000006 110.042 -173.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.0 tt -104.88 121.11 56.4 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.003 0 C-N-CA 123.293 0.637 . . . . 75.200000000000003 109.453 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.25 118.8 37.64 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 108.472 -0.936 . . . . 63.229999999999997 108.472 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.728 HG21 HD13 ' A' ' 18' ' ' ILE . 2.1 mp -100.06 115.67 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 108.494 -0.928 . . . . 73.430000000000007 108.494 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.605 ' HB2' HD11 ' A' ' 64' ' ' LEU . 22.5 t-20 -100.23 124.93 46.26 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 106.807 -1.553 . . . . 74.420000000000002 106.807 170.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 t -143.94 129.81 19.4 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 122.875 0.47 . . . . 72.109999999999999 109.864 -177.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -84.26 -24.98 29.71 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.21 -0.905 . . . . 72.420000000000002 109.56 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.474 ' ND2' ' HB2' ' A' ' 14' ' ' LEU . 45.9 t30 -91.68 114.25 26.74 Favored 'General case' 0 C--O 1.245 0.866 0 C-N-CA 123.722 0.809 . . . . 63.240000000000002 110.849 -175.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -69.29 -40.35 77.76 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.912 -1.04 . . . . 73.230000000000004 111.981 -174.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.433 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -67.54 -26.17 66.18 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 110.118 -0.327 . . . . 51.32 110.118 178.615 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.474 ' HB2' ' ND2' ' A' ' 11' ' ' ASN . 29.1 tp -68.18 -41.8 80.91 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-O 118.733 -0.651 . . . . 64.109999999999999 110.291 176.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.495 ' HA ' HD12 ' A' ' 18' ' ' ILE . 34.4 mt -48.24 -41.6 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 124.261 0.976 . . . . 72.329999999999998 111.303 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 46.5 mtmt -59.6 -49.47 77.62 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 123.984 0.802 . . . . 71.140000000000001 110.472 178.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -67.57 -31.41 71.46 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.55 1.14 . . . . 73.209999999999994 111.564 -176.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.728 HD13 HG21 ' A' ' 7' ' ' ILE . 82.4 mt -63.47 -53.12 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.412 -0.959 . . . . 74.209999999999994 108.412 173.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.563 ' HG2' HG11 ' A' ' 29' ' ' VAL . 99.2 mttt -52.66 -46.85 67.37 Favored 'General case' 0 C--N 1.362 1.133 0 O-C-N 124.476 1.11 . . . . 63.350000000000001 110.631 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -62.61 -38.02 88.54 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.8 0.84 . . . . 63.130000000000003 112.092 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 24.7 mm-40 -62.39 -42.85 99.74 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.873 0.469 . . . . 70.209999999999994 110.947 173.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 18' ' ' ILE . 35.8 t -72.03 -27.42 27.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 123.76 0.824 . . . . 74.510000000000005 110.907 -177.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 23.0 mm-40 -71.98 -31.21 66.03 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.285 0.634 . . . . 74.299999999999997 111.017 174.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -73.25 -29.21 62.6 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.052 0.541 . . . . 71.140000000000001 110.447 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.586 ' HG3' ' HG3' ' A' ' 121' ' ' MET . 17.3 mm-40 -88.69 -26.82 21.63 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.635 0.774 . . . . 61.009999999999998 110.5 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.3 47.24 8.37 Favored Glycine 0 C--N 1.341 0.84 0 CA-C-N 116.262 -0.427 . . . . 55.219999999999999 113.053 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.524 ' HB2' HG13 ' A' ' 22' ' ' VAL . 2.2 m-85 -108.7 171.22 7.55 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.807 0.843 . . . . 72.439999999999998 109.727 174.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -91.46 116.17 28.63 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.358 0.663 . . . . 71.310000000000002 110.061 -176.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.563 HG11 ' HG2' ' A' ' 19' ' ' LYS . 36.9 t -94.89 117.88 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.498 0.719 . . . . 73.530000000000001 109.859 177.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -127.14 109.01 11.41 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.863 -1.162 . . . . 73.450000000000003 107.863 165.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -86.74 116.22 24.7 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 109.19 -0.67 . . . . 61.210000000000001 109.19 175.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.536 HG11 ' HB3' ' A' ' 38' ' ' LEU . 74.1 t -88.96 123.61 41.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 124.785 1.234 . . . . 73.109999999999999 109.914 173.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -121.21 4.77 10.31 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.352 1.061 . . . . 73.230000000000004 110.736 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.435 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 25.6 t70 -155.22 152.28 29.14 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.099 0.56 . . . . 73.109999999999999 110.845 -171.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.426 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 48.9 m -64.36 -32.43 74.04 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.888 0.875 . . . . 62.109999999999999 112.682 -176.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -80.4 -21.9 41.81 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 122.472 0.309 . . . . 73.349999999999994 110.363 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 28.3 mm-40 -67.65 -44.14 78.61 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.95 0.5 . . . . 63.229999999999997 111.159 175.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.536 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.2 pp -66.19 -42.0 89.44 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.064 0.227 . . . . 61.210000000000001 111.428 -175.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -71.21 -33.03 69.52 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.617 0.573 . . . . 64.019999999999996 110.39 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.7 pttm -73.12 -32.13 64.74 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 109.337 -0.616 . . . . 61.32 109.337 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.568 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 63.2 mm-40 -72.49 -30.97 64.99 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 123.38 0.425 . . . . 75.340000000000003 110.916 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 33.3 mmt -66.02 -31.16 71.89 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.323 0.249 . . . . 62.310000000000002 110.425 172.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -74.98 -36.46 62.01 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.688 0.795 . . . . 72.329999999999998 110.38 174.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -59.87 -60.72 3.39 Favored 'General case' 0 C--O 1.206 -1.196 0 C-N-CA 123.979 0.911 . . . . 74.019999999999996 110.511 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 32.1 mt -61.28 -28.07 68.93 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.566 0.746 . . . . 53.009999999999998 111.495 -174.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.37 -48.53 41.02 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.981 0.912 . . . . 53.039999999999999 111.421 177.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -80.59 -35.26 34.41 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.216 0.607 . . . . 74.239999999999995 112.022 -174.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -72.96 96.5 2.14 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 107.758 -1.201 . . . . 62.520000000000003 107.758 171.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -75.37 -64.79 0.99 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.085 -0.507 . . . . 52.329999999999998 112.104 -165.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -105.86 94.96 5.47 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.195 0.598 . . . . 54.0 111.229 -174.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -159.79 161.56 34.65 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 124.016 0.926 . . . . 74.540000000000006 109.057 165.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -66.14 160.57 23.76 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.548 0.739 . . . . 64.209999999999994 111.293 -174.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 13.4 ptpt -48.69 148.89 1.92 Allowed 'General case' 0 C--O 1.245 0.849 0 C-N-CA 125.661 1.584 . . . . 52.549999999999997 112.681 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.59 142.43 27.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-N 115.081 -0.963 . . . . 73.230000000000004 110.162 -165.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.523 HD22 HG21 ' A' ' 22' ' ' VAL . 3.8 tt -106.57 110.39 22.58 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.925 -1.034 . . . . 75.329999999999998 108.905 175.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.495 HG21 ' SD ' ' A' ' 67' ' ' MET . 36.3 mm -99.43 127.56 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 123.687 0.795 . . . . 72.319999999999993 108.888 177.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.432 HG21 HG23 ' A' ' 15' ' ' ILE . 60.5 mt -103.84 110.64 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 108.635 -0.876 . . . . 55.530000000000001 108.635 173.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.0 t -113.7 106.43 14.49 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 108.656 -0.868 . . . . 44.340000000000003 108.656 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -83.93 13.61 4.8 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.963 0.905 . . . . 62.020000000000003 112.557 -171.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.438 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 20.1 t70 -140.32 144.79 36.54 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.537 0.735 . . . . 72.099999999999994 109.394 172.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.611 ' HE2' ' HB3' ' A' ' 89' ' ' GLU . 63.8 mttp -84.09 -23.96 30.54 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.281 -0.872 . . . . 74.540000000000006 112.68 -173.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -71.29 -32.04 68.18 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 109.015 -0.735 . . . . 73.510000000000005 109.015 174.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.444 HD13 HG12 ' A' ' 32' ' ' VAL . 59.7 mt -66.59 -40.83 89.07 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 115.619 -0.719 . . . . 62.310000000000002 110.803 175.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.605 HD11 ' HB2' ' A' ' 8' ' ' ASN . 88.5 mt -53.59 -58.68 6.32 Favored 'General case' 0 C--N 1.362 1.144 0 O-C-N 124.445 1.091 . . . . 72.0 110.591 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -55.29 -48.87 73.45 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 124.265 0.978 . . . . 72.430000000000007 112.27 -170.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -58.3 -47.75 82.67 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 124.008 0.817 . . . . 74.109999999999999 110.903 176.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.495 ' SD ' HG21 ' A' ' 56' ' ' ILE . 24.1 ttm -66.01 -39.51 90.33 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.157 -0.929 . . . . 73.219999999999999 111.338 -173.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 80.8 mt -55.18 -45.48 75.78 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.271 1.028 . . . . 60.240000000000002 110.766 178.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.53 -32.44 62.47 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.69 -1.141 . . . . 72.019999999999996 111.353 -176.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 90.7 mt -68.37 -42.75 78.7 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 122.421 0.288 . . . . 62.009999999999998 110.976 175.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.45 HG23 ' HB2' ' A' ' 76' ' ' TYR . 92.0 mt -63.22 -33.65 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 123.597 0.759 . . . . 74.450000000000003 110.581 174.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.5 t -61.29 -45.79 93.03 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.449 -0.796 . . . . 63.399999999999999 110.792 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -14.54 55.24 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.654 0.382 . . . . 72.030000000000001 111.707 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 83.7 mt -73.8 -29.97 62.47 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 109.596 -0.52 . . . . 63.229999999999997 109.596 169.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.11 7.95 51.51 Favored Glycine 0 C--N 1.348 1.238 0 CA-C-N 116.031 -0.531 . . . . 73.340000000000003 113.324 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.45 ' HB2' HG23 ' A' ' 71' ' ' ILE . 12.5 m-85 -89.5 161.61 16.14 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.706 0.402 . . . . 65.319999999999993 110.078 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -70.63 128.19 35.24 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 123.423 0.452 . . . . 54.32 109.851 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.0 t -93.11 106.69 18.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 N-CA-C 108.533 -0.914 . . . . 73.340000000000003 108.533 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -115.84 140.93 48.74 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 106.794 -1.558 . . . . 73.140000000000001 106.794 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.3 tp -132.14 144.03 50.4 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.342 -0.985 . . . . 62.520000000000003 108.342 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.8 tp -141.7 114.31 8.39 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 105.824 -1.917 . . . . 64.109999999999999 105.824 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.505 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -122.32 133.46 54.67 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.317 0.579 . . . . 72.299999999999997 110.17 -176.713 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.33 147.64 49.2 Favored 'General case' 0 C--O 1.245 0.857 0 CA-C-N 114.92 -1.036 . . . . 61.420000000000002 108.216 176.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.495 ' HB2' HD21 ' A' ' 90' ' ' LEU . 7.5 t70 -164.09 156.79 17.49 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.379 -0.971 . . . . 75.140000000000001 108.379 -177.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -73.28 -13.08 61.06 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.243 0.617 . . . . 75.129999999999995 111.449 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -130.86 112.02 12.62 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.081 1.352 . . . . 73.219999999999999 108.254 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -78.72 -4.61 50.06 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.177 0.591 . . . . 73.030000000000001 112.381 -172.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -64.77 -38.33 90.62 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.536 -0.542 . . . . 73.049999999999997 109.536 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.611 ' HB3' ' HE2' ' A' ' 61' ' ' LYS . 49.0 mm-40 -55.87 -47.9 76.53 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.106 -0.952 . . . . 55.439999999999998 111.435 169.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.505 HD22 ' HB2' ' A' ' 82' ' ' LEU . 80.4 mt -70.21 -39.32 75.22 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.627 -1.17 . . . . 73.420000000000002 112.63 -171.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -81.63 -32.0 32.14 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.718 0.636 . . . . 61.450000000000003 111.086 -173.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.7 -46.82 83.75 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 123.695 0.798 . . . . 62.229999999999997 109.692 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.475 ' O ' HG12 ' A' ' 97' ' ' ILE . 6.4 t80 -63.12 -52.76 61.27 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 114.684 -1.144 . . . . 75.109999999999999 109.817 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -60.82 -46.13 91.76 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.789 0.836 . . . . 71.439999999999998 111.99 -174.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -60.97 -28.76 69.23 Favored 'General case' 0 N--CA 1.485 1.304 0 O-C-N 123.596 0.56 . . . . 64.049999999999997 111.473 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -71.47 -44.78 64.13 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.82 -0.627 . . . . 63.32 110.053 172.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 93' ' ' PHE . 48.5 mm -67.41 -30.29 48.51 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.282 0 C-N-CA 124.089 0.956 . . . . 54.140000000000001 111.864 -176.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -53.71 -49.22 68.55 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.495 0.718 . . . . 54.310000000000002 110.644 169.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.3 t -72.42 -30.69 64.86 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 114.892 -1.049 . . . . 71.340000000000003 110.913 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -77.04 -15.89 59.46 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.645 0.778 . . . . 75.310000000000002 111.089 177.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.65 42.38 26.66 Favored Glycine 0 C--N 1.35 1.335 0 CA-C-O 119.746 -0.475 . . . . 43.409999999999997 113.823 172.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -117.07 135.96 53.34 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.499 -0.926 . . . . 75.219999999999999 108.499 173.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -68.96 109.75 4.1 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.207 0.603 . . . . 73.140000000000001 110.489 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.7 p -128.2 135.65 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-O 121.483 0.658 . . . . 65.25 111.584 -174.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.508 ' HB3' HD13 ' A' ' 116' ' ' ILE . 5.0 mmp_? -109.7 141.84 41.72 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.404 1.081 . . . . 74.109999999999999 109.126 178.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -128.39 130.78 48.19 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.476 0.71 . . . . 73.519999999999996 110.675 -174.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.4 m -151.92 128.08 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.361 1.064 . . . . 73.319999999999993 109.833 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.1 m -69.42 -40.16 77.44 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 121.786 0.803 . . . . 74.5 109.263 167.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.4 ' OD1' ' HG2' ' A' ' 111' ' ' GLU . 13.1 t70 -78.14 132.02 37.48 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.369 -1.287 . . . . 75.239999999999995 110.303 -170.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -65.49 -43.26 90.72 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 114.37 -1.286 . . . . 75.329999999999998 113.252 -175.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.4 ' HG2' ' OD1' ' A' ' 109' ' ' ASP . 9.3 pt-20 -76.61 -26.12 54.64 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 122.117 -0.365 . . . . 74.049999999999997 110.36 -176.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -69.96 -24.24 63.31 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.629 0.372 . . . . 74.109999999999999 111.087 173.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -69.02 -40.32 78.71 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.593 0.357 . . . . 71.109999999999999 110.489 170.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.07 -36.76 85.05 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 123.755 0.659 . . . . 53.310000000000002 110.35 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 4.3 ttmp? -58.24 -40.98 83.14 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 124.097 0.873 . . . . 74.219999999999999 110.782 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.508 HD13 ' HB3' ' A' ' 105' ' ' ARG . 62.0 mt -80.95 -28.39 11.16 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 C-N-CA 123.045 0.538 . . . . 73.519999999999996 111.38 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 113' ' ' ALA . 62.4 t -59.54 -53.6 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 122.876 0.471 . . . . 71.239999999999995 109.837 172.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 115' ' ' LYS . 1.3 ptm180 -69.59 -36.36 76.17 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.406 0.441 . . . . 75.540000000000006 111.279 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.5 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 19.9 mt-10 -53.77 -54.77 33.5 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 118.719 -0.658 . . . . 62.539999999999999 110.946 173.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -49.77 -34.36 19.06 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.718 0.807 . . . . 72.219999999999999 112.213 -174.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.586 ' HG3' ' HG3' ' A' ' 25' ' ' GLN . 20.2 mmt -62.21 -38.36 88.85 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.863 0.865 . . . . 74.450000000000003 112.225 -177.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 . . . . . 0 N--CA 1.485 1.28 0 C-N-CA 123.372 0.669 . . . . 73.219999999999999 112.118 178.873 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp . . . . . 0 N--CA 1.473 0.72 0 CA-C-O 121.234 0.54 . . . . 75.349999999999994 110.099 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.559 ' HA ' ' HB3' ' A' ' 77' ' ' LYS . 35.9 mt-10 -128.36 118.19 22.74 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.548 1.139 . . . . 72.540000000000006 107.947 -176.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.73 112.65 24.83 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.791 -0.818 . . . . 72.030000000000001 108.791 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 tt -112.47 117.34 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.935 0.894 . . . . 65.140000000000001 109.048 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.507 ' HB3' HD22 ' A' ' 64' ' ' LEU . 6.2 mp -104.09 123.32 47.03 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.595 -0.891 . . . . 64.019999999999996 108.595 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 mp -101.89 140.0 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 108.349 -0.982 . . . . 75.010000000000005 108.349 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.49 ' HB2' HD11 ' A' ' 64' ' ' LEU . 4.2 t-20 -117.39 108.7 15.89 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 107.627 -1.249 . . . . 53.520000000000003 107.627 171.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.2 t -146.58 134.48 21.33 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.053 0.454 . . . . 70.340000000000003 109.852 174.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -99.83 2.68 44.16 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.215 -0.902 . . . . 61.539999999999999 110.075 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -93.03 102.19 14.53 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.24 1.016 . . . . 73.019999999999996 108.823 175.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 6.8 m-20 -61.48 -34.88 76.21 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.072 0.949 . . . . 72.510000000000005 111.969 -177.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -61.83 -38.8 89.52 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.136 0.897 . . . . 74.040000000000006 110.154 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.8 tp -67.44 -44.1 79.5 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 123.697 0.623 . . . . 70.140000000000001 110.891 176.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.502 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 46.4 mt -54.53 -44.35 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 O-C-N 123.801 0.688 . . . . 74.230000000000004 109.858 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 30.0 mmmt -53.88 -49.88 67.56 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.23 1.012 . . . . 71.349999999999994 111.428 176.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.558 ' HE2' HD11 ' A' ' 114' ' ' LEU . 57.7 mtpt -67.98 -39.64 83.28 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.282 1.033 . . . . 53.409999999999997 111.564 -175.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 22' ' ' VAL . 81.5 mt -60.94 -51.83 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 108.91 -0.774 . . . . 75.540000000000006 108.91 176.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.617 ' HG2' HG11 ' A' ' 29' ' ' VAL . 93.9 mttt -50.21 -51.15 46.63 Favored 'General case' 0 C--N 1.362 1.113 0 O-C-N 124.527 1.142 . . . . 74.010000000000005 110.809 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -54.98 35.31 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.333 1.021 . . . . 73.310000000000002 111.596 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 28.2 mm-40 -53.25 -50.05 65.61 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 123.88 0.738 . . . . 64.340000000000003 111.237 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.558 HG13 ' HB2' ' A' ' 27' ' ' TYR . 71.9 t -69.29 -32.27 52.92 Favored 'Isoleucine or valine' 0 C--O 1.25 1.128 0 C-N-CA 125.467 1.507 . . . . 73.310000000000002 112.632 -172.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.62 -32.53 73.31 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.736 0.815 . . . . 72.219999999999999 111.362 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -78.04 -18.49 55.78 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.606 0.362 . . . . 60.229999999999997 111.094 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 8.7 mm-40 -92.0 -7.48 48.77 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.167 0.587 . . . . 73.030000000000001 110.993 175.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.04 -3.12 85.81 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-O 119.203 -0.776 . . . . 45.329999999999998 114.774 172.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.558 ' HB2' HG13 ' A' ' 22' ' ' VAL . 2.2 m-85 -73.28 146.94 45.0 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 118.023 0.912 . . . . 72.030000000000001 109.943 -176.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.407 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 0.9 OUTLIER -78.0 110.24 12.77 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 108.436 -0.95 . . . . 62.130000000000003 108.436 -179.102 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.617 HG11 ' HG2' ' A' ' 19' ' ' LYS . 38.3 t -83.21 122.15 37.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 122.824 0.449 . . . . 60.43 110.067 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.407 ' NH1' ' HB3' ' A' ' 28' ' ' GLN . 2.4 mpt_? -116.48 150.79 37.3 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.9 0.88 . . . . 74.430000000000007 108.796 168.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -127.33 113.58 16.45 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 107.728 -1.212 . . . . 74.120000000000005 107.728 162.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.6 HG11 ' HB3' ' A' ' 38' ' ' LEU . 79.7 t -97.38 120.6 46.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.327 -0.99 . . . . 71.120000000000005 108.327 175.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -113.15 -18.08 12.22 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.062 0.945 . . . . 72.230000000000004 110.374 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -135.05 154.35 51.74 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.584 0.754 . . . . 65.430000000000007 110.15 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.8 m -65.77 -20.19 66.17 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.285 1.034 . . . . 54.240000000000002 113.103 -172.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -66.76 -44.02 82.52 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.488 0.315 . . . . 72.310000000000002 110.648 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.5 ' HB2' HG13 ' A' ' 32' ' ' VAL . 39.7 mt-10 -61.29 -46.22 91.22 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.053 0.941 . . . . 65.310000000000002 112.13 -172.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.6 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.6 pp -66.27 -44.22 84.21 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.729 0.643 . . . . 74.340000000000003 111.658 -174.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -73.38 -32.29 64.4 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 116.442 -0.345 . . . . 72.120000000000005 110.72 -171.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 28.0 mtpp -60.12 -51.87 67.77 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.999 0.812 . . . . 75.420000000000002 110.417 174.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -78.36 -27.29 46.9 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.835 -0.62 . . . . 75.409999999999997 111.811 -173.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.439 ' SD ' HD12 ' A' ' 45' ' ' LEU . 14.0 mmt -68.61 -31.9 71.39 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.692 0.397 . . . . 75.530000000000001 111.187 177.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -62.19 -46.52 88.55 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.691 0.619 . . . . 75.510000000000005 109.424 168.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 28.3 mmmt -71.03 -22.25 62.17 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.387 -0.824 . . . . 54.100000000000001 112.613 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.439 HD12 ' SD ' ' A' ' 42' ' ' MET . 93.7 mt -76.3 -40.75 50.76 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.694 -0.484 . . . . 75.040000000000006 109.694 173.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.56 93.07 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.919 0.888 . . . . 72.030000000000001 111.205 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -76.44 -55.63 5.37 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.759 0.824 . . . . 53.32 110.135 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -104.95 94.94 5.53 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.502 -0.772 . . . . 63.009999999999998 109.47 -173.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.554 ' HE2' ' HE1' ' A' ' 76' ' ' TYR . 38.0 ttmt -74.19 -64.05 1.1 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 107.925 -1.139 . . . . 73.349999999999994 107.925 169.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 26.33 -80.09 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 127.322 2.249 . . . . 74.5 115.748 168.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -68.59 172.72 5.83 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.711 1.204 . . . . 55.210000000000001 112.535 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.06 -164.24 0.05 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 125.054 1.342 . . . . 33.240000000000002 112.558 -174.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.09 152.47 29.29 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.902 0.881 . . . . 64.420000000000002 112.272 -178.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.67 143.22 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.128 0.971 . . . . 75.109999999999999 109.979 -168.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.425 HD22 HG11 ' A' ' 22' ' ' VAL . 1.7 tp -101.02 131.37 46.94 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.039 0.936 . . . . 70.510000000000005 109.324 170.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.3 mm -118.08 135.04 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 108.027 -1.101 . . . . 65.420000000000002 108.027 174.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.1 mt -123.05 146.64 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 108.524 -0.917 . . . . 73.109999999999999 108.524 171.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.3 t -153.66 155.09 35.37 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.728 0.811 . . . . 74.219999999999999 109.305 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -95.69 -15.95 22.32 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.606 0.762 . . . . 62.409999999999997 110.456 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -113.98 134.84 54.58 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.825 0.85 . . . . 72.030000000000001 110.808 -170.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.453 ' HA ' HD12 ' A' ' 64' ' ' LEU . 9.4 mptt -77.75 -29.06 50.85 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.055 0.542 . . . . 72.030000000000001 112.243 -176.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -68.64 -30.4 69.09 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 110.144 -0.317 . . . . 70.519999999999996 110.144 -177.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.568 HD13 HG12 ' A' ' 32' ' ' VAL . 62.7 mt -68.15 -46.29 71.2 Favored 'General case' 0 C--O 1.247 0.942 0 C-N-CA 123.526 0.73 . . . . 63.100000000000001 109.55 175.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' A' ' 6' ' ' LEU . 76.7 mt -57.56 -50.19 73.92 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 114.675 -1.148 . . . . 74.5 110.289 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 54.6 tptt -51.33 -52.48 45.03 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 124.703 1.252 . . . . 75.409999999999997 110.999 -177.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -58.2 -48.07 81.49 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 124.003 0.815 . . . . 75.120000000000005 111.811 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.43 ' O ' HG13 ' A' ' 71' ' ' ILE . 76.5 mtm -62.01 -48.73 79.01 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 123.46 0.475 . . . . 62.32 111.346 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 90.7 mt -53.17 -44.06 67.56 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.733 1.213 . . . . 74.230000000000004 111.571 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 56.6 mm-40 -66.67 -41.82 87.56 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 115.659 -0.7 . . . . 73.010000000000005 110.799 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.406 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 97.2 mt -60.53 -51.66 68.51 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.664 0.603 . . . . 74.430000000000007 111.273 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 67' ' ' MET . 44.5 mt -59.57 -28.48 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 124.432 1.093 . . . . 75.219999999999999 111.339 -175.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 t -60.83 -49.76 76.2 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.68 -0.691 . . . . 63.509999999999998 111.117 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.417 ' HE3' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -86.57 -6.56 58.85 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 122.213 -0.304 . . . . 54.219999999999999 111.378 178.382 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 70.3 mt -78.77 -20.35 50.09 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 109.356 -0.609 . . . . 72.099999999999994 109.356 168.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.35 20.52 78.76 Favored Glycine 0 C--N 1.35 1.344 0 CA-C-N 115.63 -0.713 . . . . 63.340000000000003 113.355 173.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.554 ' HE1' ' HE2' ' A' ' 49' ' ' LYS . 15.1 m-85 -92.05 161.43 14.78 Favored 'General case' 0 C--O 1.24 0.603 0 C-N-CA 123.268 0.627 . . . . 74.420000000000002 109.467 174.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.559 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 24.5 ttmm -67.55 111.49 4.18 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.655 -0.702 . . . . 73.409999999999997 110.155 -178.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.6 t -90.83 123.97 43.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 N-CA-C 109.764 -0.458 . . . . 70.200000000000003 109.764 -177.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -136.95 141.78 42.63 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.957 -1.127 . . . . 65.450000000000003 107.957 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.504 HD11 HD13 ' A' ' 64' ' ' LEU . 50.2 tp -131.02 148.17 52.72 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.67 -0.863 . . . . 65.239999999999995 108.67 175.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.558 HD13 HG21 ' A' ' 116' ' ' ILE . 19.4 tp -138.83 135.1 34.21 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 105.867 -1.901 . . . . 64.219999999999999 105.867 175.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.687 HD13 ' HB3' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -140.16 137.07 34.11 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.183 0.516 . . . . 73.409999999999997 110.748 178.063 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -145.24 142.3 29.39 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 114.792 -1.095 . . . . 73.530000000000001 109.124 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -165.49 161.38 18.63 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 115.093 -0.958 . . . . 54.020000000000003 109.063 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -63.99 -32.05 73.45 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.64 0.776 . . . . 74.239999999999995 110.228 174.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -101.31 111.99 24.37 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.704 0.801 . . . . 71.409999999999997 109.075 171.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.552 ' HG3' HD12 ' A' ' 90' ' ' LEU . 31.5 tt0 -85.38 -3.61 58.9 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 122.998 0.519 . . . . 74.140000000000001 111.264 -178.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -75.33 -27.15 59.13 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.674 0.389 . . . . 73.239999999999995 110.664 176.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -63.25 -43.44 98.0 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 121.687 0.756 . . . . 60.200000000000003 110.483 168.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.687 ' HB3' HD13 ' A' ' 82' ' ' LEU . 52.9 mt -71.07 -39.44 72.19 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.025 -1.443 . . . . 72.439999999999998 112.148 -170.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.54 -41.02 66.27 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.075 0.55 . . . . 72.430000000000007 111.857 -175.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -62.33 -42.66 99.56 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.361 0.664 . . . . 71.299999999999997 111.421 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' ' 97' ' ' ILE . 10.1 t80 -68.28 -51.38 45.59 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.483 -0.781 . . . . 60.43 109.7 176.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.495 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 27.9 ttpp -59.06 -48.75 80.45 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 113.201 0.815 . . . . 71.519999999999996 113.201 -171.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.9 ptt85 -58.85 -27.05 64.77 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 112.13 0.418 . . . . 44.299999999999997 112.13 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.33 -35.13 25.44 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.233 0.613 . . . . 73.120000000000005 110.837 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.534 HG23 ' HD2' ' A' ' 102' ' ' TYR . 33.4 mm -69.42 -38.23 76.75 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.371 0 C-N-CA 123.506 0.722 . . . . 64.200000000000003 111.265 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.43 -27.8 68.78 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 124.55 1.14 . . . . 71.129999999999995 111.665 171.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.7 t -67.82 -36.72 80.88 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.918 0.487 . . . . 71.400000000000006 110.487 176.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -71.93 -25.37 61.87 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 110.161 -0.311 . . . . 70.439999999999998 110.161 169.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.76 45.14 3.22 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 116.336 -0.393 . . . . 75.450000000000003 112.949 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.534 ' HD2' HG23 ' A' ' 97' ' ' ILE . 17.7 m-85 -104.37 145.45 30.24 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.484 -0.561 . . . . 74.219999999999999 109.484 177.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -78.25 96.2 5.18 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.032 -0.729 . . . . 71.329999999999998 109.032 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 80' ' ' LEU . 1.8 p -119.52 130.84 73.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 C-N-CA 123.874 0.87 . . . . 50.310000000000002 110.848 -175.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -110.77 144.1 40.27 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 123.052 0.541 . . . . 70.239999999999995 110.514 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.495 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 28.2 ttpp -117.85 125.23 50.14 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.524 1.13 . . . . 72.340000000000003 109.668 -177.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 83' ' ' GLN . 21.1 m -142.91 143.38 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.312 1.045 . . . . 74.099999999999994 108.655 178.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.7 m -87.44 -26.27 23.35 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.375 0.607 . . . . 64.230000000000004 110.188 169.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.3 144.73 26.66 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.732 0.813 . . . . 70.120000000000005 112.495 -167.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -58.36 -56.16 25.66 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.823 1.249 . . . . 71.209999999999994 110.149 168.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -64.37 -33.76 76.6 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 114.788 -1.096 . . . . 51.340000000000003 112.397 -173.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.476 ' O ' HG12 ' A' ' 116' ' ' ILE . 44.2 mm-40 -76.43 -29.62 57.08 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 122.388 0.275 . . . . 64.010000000000005 110.903 178.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -66.74 -40.28 88.25 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.624 0.37 . . . . 63.340000000000003 110.311 173.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.558 HD11 ' HE2' ' A' ' 17' ' ' LYS . 92.1 mt -60.35 -41.76 94.34 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.556 0.742 . . . . 73.010000000000005 110.249 173.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 4.7 ttmp? -60.61 -49.49 77.32 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.207 0.942 . . . . 74.349999999999994 110.245 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.558 HG21 HD13 ' A' ' 81' ' ' LEU . 43.1 mm -59.64 -39.39 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 123.186 0.595 . . . . 65.319999999999993 111.71 -175.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 113' ' ' ALA . 94.5 t -57.49 -41.98 79.94 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 122.999 0.52 . . . . 62.509999999999998 110.379 177.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -71.91 -47.63 51.28 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.082 0.953 . . . . 73.109999999999999 110.862 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 17.1 mm-40 -54.69 -40.48 69.18 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.178 0.991 . . . . 71.129999999999995 111.344 178.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.478 ' HE2' ' HE2' ' A' ' 27' ' ' TYR . 25.5 t80 -53.78 -54.08 43.33 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 124.272 0.983 . . . . 75.200000000000003 111.328 177.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.422 ' HG3' ' O ' ' A' ' 117' ' ' VAL . 53.6 mtt -61.58 -25.12 67.12 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 124.002 0.814 . . . . 70.310000000000002 112.581 -168.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 . . . . . 0 N--CA 1.481 1.124 0 C-N-CA 123.037 0.535 . . . . 73.420000000000002 111.285 176.937 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 76' ' ' TYR . 9.5 ptpp? . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 107.069 -1.456 . . . . 71.200000000000003 107.069 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.54 ' HB2' ' HD2' ' A' ' 53' ' ' LYS . 1.4 mp0 -84.17 135.05 34.53 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.263 0.554 . . . . 72.0 110.215 -176.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -110.76 112.91 25.11 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 107.985 -1.116 . . . . 64.439999999999998 107.985 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 tt -106.6 122.4 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 108.762 -0.829 . . . . 73.5 108.762 176.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.63 123.02 48.75 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.368 -0.975 . . . . 72.109999999999999 108.368 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.664 HG21 HD13 ' A' ' 18' ' ' ILE . 2.4 mp -103.85 123.96 57.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 108.911 -0.774 . . . . 73.319999999999993 108.911 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.522 ' HB2' HD11 ' A' ' 64' ' ' LEU . 3.7 t-20 -96.66 119.47 35.19 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 106.15 -1.796 . . . . 63.25 106.15 166.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.575 HG23 HG12 ' A' ' 15' ' ' ILE . 2.3 t -143.58 117.74 9.52 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.385 -0.598 . . . . 73.230000000000004 109.385 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -107.44 6.36 28.15 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.393 -0.821 . . . . 63.149999999999999 111.294 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.415 ' O ' HG13 ' A' ' 15' ' ' ILE . 50.0 t-20 -92.05 108.67 20.11 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.106 -1.442 . . . . 55.039999999999999 107.106 166.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.87 -47.3 80.74 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.565 1.146 . . . . 44.210000000000001 111.586 -175.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.15 -37.66 88.27 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.158 -0.928 . . . . 73.230000000000004 110.413 -178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.0 tp -66.45 -38.15 86.74 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 118.711 -0.662 . . . . 73.319999999999993 111.729 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.575 HG12 HG23 ' A' ' 9' ' ' THR . 16.8 mt -54.01 -44.16 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 CA-C-O 121.232 0.539 . . . . 75.329999999999998 109.934 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -63.08 -41.32 99.4 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 114.392 -1.276 . . . . 71.030000000000001 111.099 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -70.89 -38.29 73.04 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.473 -0.785 . . . . 64.519999999999996 111.392 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.664 HD13 HG21 ' A' ' 7' ' ' ILE . 98.9 mt -58.76 -50.12 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.533 0.733 . . . . 61.549999999999997 109.224 177.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.633 ' HG2' HG11 ' A' ' 29' ' ' VAL . 99.5 mttt -49.93 -43.77 50.03 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 124.601 1.188 . . . . 72.239999999999995 111.556 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -70.35 -36.87 74.46 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.756 0.823 . . . . 75.019999999999996 112.441 -177.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 18.5 mm-40 -63.39 -39.42 94.45 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 121.047 0.451 . . . . 44.310000000000002 110.275 174.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 18' ' ' ILE . 57.4 t -73.81 -29.4 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.369 1.067 . . . . 72.219999999999999 111.101 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -71.01 -26.08 62.96 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.547 0.739 . . . . 72.430000000000007 110.631 173.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -71.66 -35.51 70.38 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.114 0.566 . . . . 71.430000000000007 110.003 172.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 76.3 mm-40 -82.75 -24.4 33.54 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.582 0.753 . . . . 32.109999999999999 111.172 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.6 22.21 58.69 Favored Glycine 0 C--N 1.346 1.089 0 CA-C-N 115.831 -0.622 . . . . 43.340000000000003 114.068 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.508 ' HB2' HG13 ' A' ' 22' ' ' VAL . 1.7 m-85 -90.52 161.39 15.51 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 109.53 -0.545 . . . . 74.329999999999998 109.53 175.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -91.17 121.21 32.74 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.518 0.727 . . . . 71.109999999999999 110.836 -175.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.633 HG11 ' HG2' ' A' ' 19' ' ' LYS . 91.4 t -92.19 122.76 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 122.874 0.47 . . . . 62.119999999999997 110.369 175.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -117.77 106.58 13.18 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 108.123 -1.066 . . . . 74.239999999999995 108.123 167.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -86.56 117.35 25.28 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.348 -0.982 . . . . 73.120000000000005 108.348 175.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.582 HG11 ' HB3' ' A' ' 38' ' ' LEU . 80.0 t -101.98 120.87 52.26 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 CA-C-N 115.25 -0.886 . . . . 74.340000000000003 109.71 -175.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -115.03 -21.74 9.89 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.698 -1.137 . . . . 71.510000000000005 109.332 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.447 ' HB2' ' HG2' ' A' ' 37' ' ' GLU . 13.9 m-20 -119.93 145.83 46.37 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.165 0.986 . . . . 74.430000000000007 110.269 -175.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.9 p -70.4 -21.07 62.89 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.086 0.954 . . . . 72.219999999999999 112.712 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -90.76 -28.13 18.46 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 122.239 -0.288 . . . . 72.5 111.409 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.447 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 32.2 mm-40 -63.23 -33.89 76.47 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.444 0.298 . . . . 72.019999999999996 111.206 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.582 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.6 pp -65.16 -49.02 71.45 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 123.292 0.37 . . . . 45.450000000000003 110.402 178.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -69.72 -28.32 65.72 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 111.611 0.226 . . . . 64.310000000000002 111.611 -171.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -64.46 -42.3 96.02 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.531 0.732 . . . . 72.219999999999999 110.299 173.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 53.6 mm-40 -76.36 -25.46 54.67 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 112.354 0.501 . . . . 62.210000000000001 112.354 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.506 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 80.9 mmm -66.43 -31.36 72.06 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 110.231 -0.285 . . . . 63.299999999999997 110.231 173.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -68.27 -42.04 80.16 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.365 0.666 . . . . 74.239999999999995 110.446 173.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -58.94 -35.54 73.29 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.966 0.906 . . . . 75.430000000000007 111.377 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 73.4 mt -61.05 -48.96 79.33 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.597 0.759 . . . . 73.349999999999994 110.873 177.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.451 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -69.47 -56.12 8.32 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.045 0.84 . . . . 63.350000000000001 111.493 -176.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.65 -50.79 72.11 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.293 1.037 . . . . 71.049999999999997 111.623 -173.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -83.05 100.34 10.43 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 107.945 -1.132 . . . . 72.239999999999995 107.945 173.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -79.28 -56.77 4.1 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.453 0.301 . . . . 74.319999999999993 110.426 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -92.82 91.09 7.29 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.91 0.484 . . . . 65.329999999999998 110.656 -176.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -159.96 161.04 34.08 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 123.584 0.754 . . . . 54.130000000000003 109.566 164.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.57 133.95 53.95 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.553 0.741 . . . . 74.340000000000003 111.211 -174.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.54 ' HD2' ' HB2' ' A' ' 3' ' ' GLU . 46.0 pttt -56.2 135.08 53.43 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.093 0.957 . . . . 64.5 111.383 -176.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.455 ' N ' HD12 ' A' ' 54' ' ' ILE . 3.0 mp -96.43 130.76 44.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 CA-C-N 115.215 -0.902 . . . . 64.209999999999994 110.09 -160.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 tt -90.94 113.24 25.42 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.352 -0.84 . . . . 65.310000000000002 109.132 174.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.424 HG21 ' SD ' ' A' ' 67' ' ' MET . 26.9 mm -96.66 136.24 28.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 N-CA-C 108.549 -0.908 . . . . 73.540000000000006 108.549 176.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.3 mt -113.61 149.62 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 107.244 -1.391 . . . . 54.329999999999998 107.244 166.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.4 t -151.73 154.37 36.18 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.394 -0.595 . . . . 55.130000000000003 109.394 171.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -90.8 -20.0 22.83 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.351 -0.84 . . . . 55.219999999999999 111.139 -173.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -134.15 145.71 49.52 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 122.604 0.362 . . . . 65.409999999999997 111.444 -166.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.512 ' HA ' HD12 ' A' ' 64' ' ' LEU . 87.3 mttt -70.57 -34.93 72.74 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.595 1.158 . . . . 42.310000000000002 112.345 -173.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.01 -35.98 82.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.881 0.472 . . . . 53.149999999999999 110.69 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.449 HD13 HG12 ' A' ' 32' ' ' VAL . 50.9 mt -67.93 -51.72 44.48 Favored 'General case' 0 C--O 1.244 0.784 0 N-CA-C 109.535 -0.543 . . . . 64.439999999999998 109.535 179.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.522 HD11 ' HB2' ' A' ' 8' ' ' ASN . 74.8 mt -50.41 -46.79 56.57 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-N 114.771 -1.104 . . . . 71.349999999999994 111.278 176.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -61.09 -48.52 81.31 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 114.674 -1.148 . . . . 73.450000000000003 111.03 -171.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -60.25 -41.24 92.8 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.872 0.733 . . . . 74.310000000000002 111.054 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.474 ' O ' HG13 ' A' ' 71' ' ' ILE . 32.0 mtt -57.3 -47.2 82.09 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-O 118.762 -0.637 . . . . 60.020000000000003 110.43 176.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 41.9 mt -55.87 -41.61 74.67 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.684 0.794 . . . . 71.230000000000004 111.564 -176.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.37 -42.84 95.97 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.357 -0.838 . . . . 70.040000000000006 109.889 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.68 -40.91 79.89 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 115.277 -0.874 . . . . 75.310000000000002 111.935 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 67' ' ' MET . 38.7 mt -63.06 -37.55 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 C-N-CA 123.371 0.669 . . . . 75.430000000000007 109.409 178.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.7 t -60.19 -48.18 82.8 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 114.623 -1.171 . . . . 63.039999999999999 110.834 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.23 -15.53 56.77 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 112.204 0.446 . . . . 74.530000000000001 112.204 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.451 HD22 ' HB2' ' A' ' 46' ' ' ALA . 85.2 mt -78.67 -22.83 46.17 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 109.425 -0.583 . . . . 74.340000000000003 109.425 171.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.84 9.16 68.61 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 116.18 -0.463 . . . . 61.329999999999998 113.247 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.416 ' HB2' HG23 ' A' ' 71' ' ' ILE . 21.9 m-85 -85.28 171.81 11.62 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.271 0.628 . . . . 61.439999999999998 110.403 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -83.0 131.68 35.18 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.316 -0.402 . . . . 73.540000000000006 110.15 177.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.8 t -89.91 129.01 41.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 123.576 0.75 . . . . 71.340000000000003 109.191 171.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -136.22 127.0 27.37 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 105.922 -1.881 . . . . 72.340000000000003 105.922 169.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.1 tp -119.88 147.9 44.14 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.175 -1.046 . . . . 75.219999999999999 108.175 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.5 tp -145.7 119.42 9.21 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 106.166 -1.79 . . . . 74.109999999999999 106.166 178.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.66 HD13 ' HB3' ' A' ' 90' ' ' LEU . 0.9 OUTLIER -126.75 141.67 51.77 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.041 0.448 . . . . 73.340000000000003 111.234 -174.401 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.44 148.07 35.55 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 114.919 -1.037 . . . . 72.150000000000006 108.475 177.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.494 ' N ' HD11 ' A' ' 90' ' ' LEU . 28.7 t70 -164.47 158.42 18.33 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 114.771 -1.104 . . . . 71.129999999999995 108.129 174.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.86 -16.01 62.67 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.58 0.752 . . . . 72.25 110.588 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -117.47 97.13 5.72 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.479 1.111 . . . . 73.140000000000001 108.515 169.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -70.84 -16.46 62.72 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.314 0.646 . . . . 73.010000000000005 112.098 -176.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -66.76 -25.63 66.58 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.782 0.433 . . . . 73.340000000000003 110.704 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -73.7 -32.38 63.89 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.61 0.764 . . . . 71.230000000000004 110.967 175.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.66 ' HB3' HD13 ' A' ' 82' ' ' LEU . 89.2 mt -74.52 -47.54 32.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.07 0.948 . . . . 72.209999999999994 111.692 -175.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.85 -34.33 77.68 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.812 0.695 . . . . 53.350000000000001 112.145 -174.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -69.05 -45.68 69.8 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 122.818 0.447 . . . . 71.019999999999996 110.946 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.506 ' O ' HG12 ' A' ' 97' ' ' ILE . 30.6 t80 -61.08 -41.77 97.26 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 109.553 -0.536 . . . . 71.129999999999995 109.553 174.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.551 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 29.0 ttpp -66.18 -42.68 88.57 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.817 0.847 . . . . 73.549999999999997 112.103 -172.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -63.89 -25.91 68.37 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.392 0.277 . . . . 72.319999999999993 111.664 -177.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -68.47 -48.54 64.22 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.203 0.601 . . . . 75.25 110.409 169.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 93' ' ' PHE . 38.1 mm -62.31 -44.08 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 C-N-CA 124.129 0.972 . . . . 74.340000000000003 110.994 -175.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.36 -38.79 90.91 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.694 1.198 . . . . 65.200000000000003 111.552 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.8 t -66.91 -32.07 73.08 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.017 0.527 . . . . 74.129999999999995 110.931 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -88.61 7.08 35.13 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.855 0.862 . . . . 63.409999999999997 111.514 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 72.13 25.46 74.57 Favored Glycine 0 C--N 1.348 1.241 0 O-C-N 123.302 0.377 . . . . 64.040000000000006 113.84 174.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -96.78 128.54 43.83 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 109.34 -0.615 . . . . 75.230000000000004 109.34 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.54 123.15 19.24 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.395 0.678 . . . . 74.540000000000006 110.422 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.0 p -141.1 141.94 30.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 123.729 0.812 . . . . 54.340000000000003 111.126 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -121.88 142.96 49.73 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.932 0.893 . . . . 74.25 109.026 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.551 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 26.0 ttpp -115.14 138.13 51.25 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.508 0.723 . . . . 64.140000000000001 110.964 -177.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.22 -179.16 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.186 0.994 . . . . 74.239999999999995 108.961 173.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.8 m -140.21 -42.89 0.42 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.196 0.998 . . . . 73.340000000000003 108.376 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.85 147.08 45.76 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 114.527 -1.215 . . . . 62.439999999999998 111.115 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -55.16 -50.04 70.31 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 114.426 -1.261 . . . . 74.010000000000005 110.079 170.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -65.27 -38.25 89.7 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.051 -0.977 . . . . 72.400000000000006 112.001 -175.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -75.94 -25.02 55.55 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.797 0.439 . . . . 73.030000000000001 111.278 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -72.44 -50.74 24.03 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 122.877 0.471 . . . . 63.240000000000002 110.377 175.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.411 HD22 ' HG3' ' A' ' 21' ' ' GLU . 93.8 mt -60.81 -34.85 75.15 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.758 0.823 . . . . 73.230000000000004 110.19 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -55.13 -59.04 5.31 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 114.583 -1.189 . . . . 73.239999999999995 111.053 176.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.519 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 32.3 mt -72.57 -25.28 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.161 0 C-N-CA 122.753 0.421 . . . . 72.430000000000007 111.938 -174.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 113' ' ' ALA . 70.9 t -58.17 -48.71 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 N-CA-C 109.971 -0.381 . . . . 62.539999999999999 109.971 168.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -70.17 -39.75 75.1 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.521 0.728 . . . . 71.140000000000001 111.261 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.519 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 40.1 mm-40 -61.68 -38.37 87.55 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 123.682 0.793 . . . . 75.319999999999993 111.868 178.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -53.19 -41.39 65.21 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.762 0.425 . . . . 74.439999999999998 110.497 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 16.5 mmt -60.07 -37.1 78.88 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 124.086 0.866 . . . . 53.409999999999997 111.102 -174.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 . . . . . 0 N--CA 1.478 0.964 0 C-N-CA 123.159 0.584 . . . . 72.230000000000004 112.041 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.423 ' O ' ' HB3' ' A' ' 76' ' ' TYR . 2.0 tppp? . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 105.903 -1.888 . . . . 65.319999999999993 105.903 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -95.2 128.18 41.83 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.565 -0.532 . . . . 63.229999999999997 109.565 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.467 HD11 HD13 ' A' ' 45' ' ' LEU . 3.5 mm? -123.58 110.49 15.09 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 107.428 -1.323 . . . . 75.329999999999998 107.428 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.4 HG23 ' HG ' ' A' ' 55' ' ' LEU . 8.4 tt -97.15 124.86 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 108.045 -1.095 . . . . 71.340000000000003 108.045 170.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.571 ' HB3' HD22 ' A' ' 64' ' ' LEU . 5.0 mp -106.71 122.03 45.54 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 107.885 -1.154 . . . . 63.43 107.885 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.477 HG21 HD13 ' A' ' 18' ' ' ILE . 2.4 mp -101.29 143.93 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 108.509 -0.923 . . . . 75.230000000000004 108.509 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.49 ' HB2' HD11 ' A' ' 64' ' ' LEU . 22.2 t-20 -118.99 109.07 15.52 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 109.143 -0.688 . . . . 73.329999999999998 109.143 172.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.639 HG23 HD13 ' A' ' 15' ' ' ILE . 2.0 t -146.08 122.84 11.22 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.428 -0.953 . . . . 72.510000000000005 108.428 170.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -86.16 -13.51 46.85 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.495 0.718 . . . . 72.430000000000007 109.245 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -75.17 102.75 5.07 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.245 0.618 . . . . 63.039999999999999 109.925 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 2.8 m-20 -45.05 -44.9 10.55 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 125.212 1.405 . . . . 75.329999999999998 112.326 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -62.53 -41.53 98.93 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.829 0.852 . . . . 70.120000000000005 111.489 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.1 tp -69.47 -36.32 76.45 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.841 -0.618 . . . . 54.109999999999999 110.762 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.639 HD13 HG23 ' A' ' 9' ' ' THR . 3.6 mm -53.21 -45.62 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 109.539 -0.541 . . . . 63.509999999999998 109.539 176.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 69.5 mmtt -58.69 -46.22 87.73 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.764 -1.107 . . . . 74.129999999999995 110.765 -176.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.449 ' HE2' HD11 ' A' ' 114' ' ' LEU . 50.9 mtpt -72.72 -35.44 67.56 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 114.553 -1.203 . . . . 64.340000000000003 111.076 -174.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.615 ' O ' HG23 ' A' ' 22' ' ' VAL . 76.6 mt -63.48 -46.72 94.41 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 N-CA-C 109.393 -0.595 . . . . 72.0 109.393 175.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.502 ' HE3' HG22 ' A' ' 15' ' ' ILE . 97.3 mttt -55.14 -36.4 65.73 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.124 0.57 . . . . 73.519999999999996 111.179 177.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -62.49 -47.99 81.53 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.5 0.72 . . . . 74.299999999999997 110.935 174.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 24.9 mm-40 -57.77 -46.35 84.68 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.951 0.782 . . . . 74.310000000000002 110.013 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 18' ' ' ILE . 21.7 t -64.23 -32.87 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.032 0.933 . . . . 71.299999999999997 110.867 -175.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -73.09 -35.29 66.59 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.033 0.533 . . . . 72.040000000000006 110.939 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -68.22 -34.91 77.11 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.462 0.705 . . . . 64.519999999999996 109.992 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 79.3 mm-40 -87.14 -22.68 25.19 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 114.927 -1.033 . . . . 63.130000000000003 111.17 -177.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.72 49.05 11.22 Favored Glycine 0 C--N 1.343 0.947 0 CA-C-N 116.02 -0.536 . . . . 72.040000000000006 113.286 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.435 ' HB2' HG13 ' A' ' 22' ' ' VAL . 2.7 m-85 -111.66 169.72 8.63 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.53 1.132 . . . . 71.540000000000006 108.962 172.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.502 ' HB2' HG23 ' A' ' 54' ' ' ILE . 65.5 mt-30 -87.15 118.61 26.67 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 122.57 0.348 . . . . 73.120000000000005 110.423 -178.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.6 t -79.48 118.06 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.173 0.589 . . . . 63.130000000000003 110.521 177.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -126.92 133.02 50.74 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.254 1.022 . . . . 73.329999999999998 108.443 167.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -130.57 117.09 19.05 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.921 0.488 . . . . 72.040000000000006 109.97 170.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.555 HG11 ' HB3' ' A' ' 38' ' ' LEU . 27.3 t -84.32 123.2 38.81 Favored 'Isoleucine or valine' 0 C--O 1.242 0.69 0 C-N-CA 124.041 0.936 . . . . 75.310000000000002 109.518 176.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -106.34 -24.65 12.21 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.506 0.722 . . . . 74.450000000000003 110.002 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -139.75 150.07 44.34 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.958 0.903 . . . . 73.329999999999998 110.474 -170.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 m -65.76 -24.64 66.99 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.009 0.924 . . . . 73.530000000000001 113.096 -173.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -76.16 -30.25 58.05 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 122.413 0.285 . . . . 74.099999999999994 110.324 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -66.01 -39.86 90.61 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.726 0.41 . . . . 51.450000000000003 111.531 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.555 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.1 pp -67.08 -40.53 87.0 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 123.386 0.429 . . . . 71.329999999999998 111.856 -172.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -63.7 -34.44 77.87 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.925 0.393 . . . . 71.120000000000005 110.378 -176.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -72.36 -44.67 62.23 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.092 0.957 . . . . 73.319999999999993 111.134 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.527 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 11.0 pt-20 -78.21 -29.84 48.59 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 119.438 -0.315 . . . . 75.239999999999995 111.679 -176.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 34.4 mmt -58.8 -31.91 68.85 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 122.841 0.456 . . . . 70.400000000000006 110.261 171.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -70.03 -47.61 61.38 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 115.954 -0.566 . . . . 74.430000000000007 110.193 174.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -52.87 -44.18 66.65 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 123.83 0.852 . . . . 64.319999999999993 111.216 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 56.6 mt -66.79 -29.7 69.71 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.187 0.995 . . . . 72.239999999999995 111.98 -177.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.09 -26.75 16.61 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.88 0.872 . . . . 73.319999999999993 112.236 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.03 -42.51 16.09 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.414 0.685 . . . . 73.129999999999995 109.991 -177.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -71.59 117.62 13.39 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 108.07 -1.085 . . . . 74.200000000000003 108.07 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.536 ' HD2' ' H ' ' A' ' 49' ' ' LYS . 3.1 mptp? -68.34 -63.79 0.99 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.905 0.882 . . . . 74.010000000000005 111.065 -164.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -131.91 111.55 11.67 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 109.193 -0.669 . . . . 63.509999999999998 109.193 -178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -149.68 172.65 14.73 Favored 'General case' 0 C--O 1.246 0.868 0 C-N-CA 124.936 1.294 . . . . 61.340000000000003 107.651 169.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -68.45 158.72 33.12 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.087 0.47 . . . . 65.549999999999997 111.532 -174.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -70.67 146.56 49.87 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 114.913 -1.04 . . . . 72.299999999999997 110.975 -175.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.502 HG23 ' HB2' ' A' ' 28' ' ' GLN . 3.5 mp -113.16 143.77 22.17 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-N 115.48 -0.782 . . . . 62.530000000000001 109.765 -163.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.561 HD22 HG21 ' A' ' 22' ' ' VAL . 6.2 tt -101.75 111.15 23.31 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 108.502 -0.925 . . . . 70.420000000000002 108.502 173.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.0 mm -96.46 141.21 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 124.212 1.005 . . . . 63.240000000000002 108.373 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.3 mt -125.1 157.77 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 106.681 -1.6 . . . . 72.129999999999995 106.681 171.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.4 m -141.62 145.08 34.59 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 123.124 0.57 . . . . 50.509999999999998 109.623 167.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -78.12 -13.8 59.72 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 114.686 -1.143 . . . . 72.010000000000005 110.085 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -137.43 155.67 49.07 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.557 1.143 . . . . 70.209999999999994 110.373 -172.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -87.26 -31.0 20.49 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.06 0.944 . . . . 75.310000000000002 112.582 -173.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -70.49 -26.16 63.48 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.856 0.462 . . . . 50.200000000000003 110.817 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.451 HD13 HG12 ' A' ' 32' ' ' VAL . 56.2 mt -62.75 -43.54 98.53 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 121.643 0.735 . . . . 62.439999999999998 109.603 173.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.571 HD22 ' HB3' ' A' ' 6' ' ' LEU . 92.8 mt -64.75 -47.59 77.65 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 114.428 -1.26 . . . . 55.100000000000001 110.964 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -53.16 -45.0 68.25 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 123.887 0.742 . . . . 74.450000000000003 110.906 -173.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -61.39 -56.55 19.02 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.469 -0.787 . . . . 74.329999999999998 111.348 173.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.465 ' SD ' ' HB2' ' A' ' 38' ' ' LEU . 76.1 mtm -62.3 -38.5 89.65 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 113.42 0.896 . . . . 74.230000000000004 113.42 -172.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.518 HD21 HD13 ' A' ' 80' ' ' LEU . 78.1 mt -52.97 -43.23 66.24 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.774 0.83 . . . . 51.340000000000003 110.874 177.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -81.55 -27.01 34.56 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 114.813 -1.085 . . . . 62.100000000000001 111.253 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.47 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 85.9 mt -71.05 -51.76 23.44 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.005 0.522 . . . . 64.140000000000001 110.399 176.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 70.7 mt -60.06 -32.19 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.443 1.097 . . . . 71.230000000000004 110.492 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.1 t -66.77 -43.89 82.83 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.591 -0.732 . . . . 71.230000000000004 111.07 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -16.33 57.79 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 117.725 0.239 . . . . 53.450000000000003 111.27 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 83.3 mt -70.66 -31.48 68.42 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 108.63 -0.878 . . . . 62.409999999999997 108.63 167.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.47 25.63 25.31 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.181 -0.918 . . . . 53.409999999999997 111.774 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.423 ' HB3' ' O ' ' A' ' 2' ' ' LYS . 21.2 m-30 -92.73 167.73 11.69 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 123.79 0.836 . . . . 64.25 111.042 175.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.08 118.99 22.98 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.244 -0.889 . . . . 64.230000000000004 109.404 177.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.6 t -101.04 128.56 53.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.341 0.656 . . . . 62.43 110.127 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -125.44 151.0 46.79 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 106.297 -1.742 . . . . 71.439999999999998 106.297 171.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.53 HD11 HD13 ' A' ' 64' ' ' LEU . 43.8 tp -139.32 148.06 42.43 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.462 0.705 . . . . 75.430000000000007 109.59 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.542 HD13 HG21 ' A' ' 116' ' ' ILE . 35.5 tp -139.84 134.8 32.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.258 -1.756 . . . . 73.5 106.258 174.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.35 142.12 39.69 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 120.937 0.399 . . . . 62.009999999999998 111.085 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.01 147.14 39.98 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.386 -0.824 . . . . 74.120000000000005 109.542 178.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -146.39 175.17 10.74 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 124.638 1.175 . . . . 70.310000000000002 108.829 173.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -78.12 -37.45 46.21 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.208 -0.905 . . . . 75.209999999999994 108.836 168.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -98.25 137.98 36.19 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.204 1.002 . . . . 72.010000000000005 110.122 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.416 ' HA ' HD12 ' A' ' 90' ' ' LEU . 2.3 tm-20 -88.88 -27.62 20.89 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.171 0.588 . . . . 63.240000000000002 110.888 -174.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -62.51 -36.03 81.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 122.003 -0.435 . . . . 73.109999999999999 110.493 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -64.18 -42.18 96.81 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.121 0.568 . . . . 73.200000000000003 110.386 174.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 87' ' ' GLU . 82.1 mt -61.3 -55.46 31.56 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.195 0.998 . . . . 43.25 112.337 -176.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -68.05 -34.88 77.3 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 123.716 0.635 . . . . 75.549999999999997 111.685 -172.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 1.4 pp20? -74.33 -38.33 63.31 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 110.406 -0.22 . . . . 74.400000000000006 110.406 -176.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.444 ' O ' HG12 ' A' ' 97' ' ' ILE . 10.9 t80 -71.68 -41.02 69.17 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.955 0.502 . . . . 74.420000000000002 110.177 176.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.585 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 19.4 ttpp -62.82 -43.06 99.8 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.199 0.599 . . . . 74.239999999999995 111.307 -177.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -68.16 -21.6 64.9 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 115.899 -0.591 . . . . 74.329999999999998 111.692 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 32.6 mmtp -65.71 -47.07 76.59 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.943 -0.762 . . . . 54.420000000000002 108.943 170.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 93' ' ' PHE . 24.6 mm -68.5 -32.6 56.0 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 CA-C-N 114.368 -1.287 . . . . 72.310000000000002 110.973 -174.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -53.74 -48.83 69.27 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.634 0.773 . . . . 70.209999999999994 110.557 168.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.1 m -67.08 -40.07 86.92 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.886 0.875 . . . . 72.349999999999994 111.299 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -69.86 -20.68 63.4 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.982 0.913 . . . . 63.549999999999997 111.785 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.05 32.15 7.26 Favored Glycine 0 C--N 1.342 0.887 0 N-CA-C 113.869 0.307 . . . . 61.240000000000002 113.869 172.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -121.45 130.77 53.77 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.357 0.663 . . . . 73.310000000000002 109.233 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.63 123.19 23.54 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 109.543 -0.54 . . . . 75.400000000000006 109.543 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.5 p -135.82 136.77 49.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.649 0.78 . . . . 64.519999999999996 111.346 -170.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -109.24 155.8 20.67 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 124.283 1.033 . . . . 74.010000000000005 110.142 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.585 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -136.31 127.72 28.48 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.072 -0.967 . . . . 63.130000000000003 109.397 -171.708 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.1 m -140.02 143.97 28.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.163 0.985 . . . . 63.32 109.478 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.8 m -102.59 -21.36 14.18 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.088 0.555 . . . . 64.129999999999995 109.591 168.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -90.15 143.11 27.07 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.639 0.776 . . . . 74.25 112.022 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -50.4 74.19 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.762 1.225 . . . . 64.099999999999994 110.544 169.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 11.4 pt-20 -56.7 -45.33 81.89 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 124.078 0.861 . . . . 54.100000000000001 111.026 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.475 ' O ' HG12 ' A' ' 116' ' ' ILE . 17.3 mm-40 -70.77 -30.2 66.62 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.344 0.658 . . . . 73.430000000000007 111.594 -176.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.57 89.98 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.961 0.504 . . . . 73.450000000000003 110.484 176.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.449 HD11 ' HE2' ' A' ' 17' ' ' LYS . 70.5 mt -66.83 -32.54 73.88 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.617 -0.72 . . . . 74.019999999999996 110.329 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 32.7 mmmt -63.62 -48.31 77.86 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 123.656 0.597 . . . . 63.0 110.431 175.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.542 HG21 HD13 ' A' ' 81' ' ' LEU . 50.9 mm -62.53 -35.08 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 C-N-CA 123.196 0.598 . . . . 75.439999999999998 111.567 -177.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 93.8 t -56.38 -45.86 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 122.866 0.466 . . . . 60.420000000000002 109.797 174.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -70.83 -38.93 73.26 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 123.77 0.828 . . . . 64.109999999999999 110.893 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 21.9 mm-40 -60.07 -37.31 79.52 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.923 0.889 . . . . 74.230000000000004 111.691 177.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.18 -33.93 76.54 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 123.426 0.454 . . . . 73.0 110.966 176.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.414 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 16.5 mmt -65.39 -34.46 78.36 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 112.205 0.446 . . . . 72.120000000000005 112.205 -174.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 . . . . . 0 N--CA 1.477 0.896 0 C-N-CA 122.804 0.442 . . . . 54.140000000000001 110.694 177.326 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 107.754 -1.202 . . . . 34.420000000000002 107.754 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 2.9 mp0 -109.27 131.06 55.42 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.302 0.572 . . . . 52.020000000000003 110.19 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -120.5 111.88 18.25 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 107.414 -1.328 . . . . 71.209999999999994 107.414 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 tt -103.37 116.65 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.396 0.678 . . . . 41.149999999999999 109.252 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mp -102.69 121.93 43.42 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.811 -0.811 . . . . 74.400000000000006 108.811 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.544 HG21 HD13 ' A' ' 18' ' ' ILE . 2.8 mp -100.28 141.22 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 108.259 -1.015 . . . . 72.310000000000002 108.259 176.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.51 ' HB2' HD11 ' A' ' 64' ' ' LEU . 3.4 t-20 -113.58 106.82 14.99 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 123.723 0.809 . . . . 73.319999999999993 108.888 174.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.423 HG23 HG12 ' A' ' 15' ' ' ILE . 3.8 t -146.25 131.0 17.97 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 123.587 0.755 . . . . 71.340000000000003 109.894 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -94.49 -6.49 43.75 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.31 1.044 . . . . 73.239999999999995 109.923 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.477 ' O ' HG13 ' A' ' 15' ' ' ILE . 48.0 t-20 -82.11 113.43 19.96 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.437 1.095 . . . . 64.450000000000003 109.341 -176.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.36 -46.85 85.48 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.487 1.115 . . . . 75.540000000000006 111.088 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -63.46 -41.55 98.61 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 113.917 -1.492 . . . . 74.120000000000005 110.249 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' A' ' 110' ' ' ASP . 60.2 tp -69.81 -37.6 76.32 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 118.678 -0.677 . . . . 63.0 111.265 -177.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.494 HG22 ' HE3' ' A' ' 19' ' ' LYS . 65.8 mt -55.19 -42.38 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 N-CA-C 109.106 -0.701 . . . . 62.539999999999999 109.106 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -61.86 -46.68 88.35 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 124.164 0.915 . . . . 72.319999999999993 111.301 177.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.623 ' HE2' HD11 ' A' ' 114' ' ' LEU . 57.0 mtpt -60.05 -44.09 94.92 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.769 0.828 . . . . 74.319999999999993 111.139 -178.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.544 HD13 HG21 ' A' ' 7' ' ' ILE . 76.1 mt -60.38 -51.54 71.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 O-C-N 124.405 1.066 . . . . 71.340000000000003 108.841 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.684 ' HG2' HG11 ' A' ' 29' ' ' VAL . 89.5 mttt -52.64 -41.01 63.38 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 124.448 1.092 . . . . 74.299999999999997 111.327 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 20' ' ' LYS . 71.3 mmtt -68.03 -41.7 81.72 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 123.754 0.659 . . . . 74.420000000000002 111.269 -178.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 25.6 mm-40 -59.01 -42.98 91.43 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 123.83 0.706 . . . . 74.030000000000001 110.472 173.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 18' ' ' ILE . 67.0 t -73.48 -29.69 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 124.568 1.147 . . . . 72.019999999999996 111.249 -175.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -75.95 -27.91 57.73 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.513 0.725 . . . . 73.239999999999995 110.746 174.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -68.8 -23.51 64.29 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.056 0.542 . . . . 73.430000000000007 110.031 174.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.723 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 72.7 mm-40 -97.54 -29.12 13.64 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.206 1.003 . . . . 73.219999999999999 110.624 178.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.0 39.41 7.48 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 115.732 -0.667 . . . . 45.119999999999997 114.515 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.438 ' HB2' HG13 ' A' ' 22' ' ' VAL . 1.0 OUTLIER -97.51 170.03 9.32 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.257 0.623 . . . . 75.519999999999996 110.104 176.284 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.451 HE22 ' HG3' ' A' ' 52' ' ' GLU . 2.5 mp0 -92.04 113.38 25.64 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.329 -0.989 . . . . 73.219999999999999 108.329 -176.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.684 HG11 ' HG2' ' A' ' 19' ' ' LYS . 21.3 t -93.81 136.42 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 CA-C-N 118.143 0.429 . . . . 52.229999999999997 110.388 177.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -133.22 132.88 42.01 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 107.797 -1.186 . . . . 40.329999999999998 107.797 162.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -107.24 116.58 32.18 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 108.0 -1.111 . . . . 61.439999999999998 108.0 170.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.591 HG12 HD13 ' A' ' 63' ' ' LEU . 86.4 t -92.09 122.27 43.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 C-N-CA 124.511 1.124 . . . . 61.119999999999997 109.415 178.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -109.87 -14.69 14.24 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.748 0.819 . . . . 74.019999999999996 110.399 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -150.36 156.39 41.42 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.512 0.725 . . . . 75.209999999999994 110.887 -176.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.9 m -62.66 -24.23 67.51 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.142 0.977 . . . . 64.319999999999993 112.737 -177.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -76.29 -23.47 54.37 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.057 0.143 . . . . 74.299999999999997 110.676 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.52 -47.5 32.57 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.38 0.672 . . . . 74.349999999999994 110.889 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.536 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.4 pp -71.52 -33.55 69.29 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 112.375 0.509 . . . . 52.219999999999999 112.375 -173.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -65.48 -32.99 74.9 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.755 0.312 . . . . 75.319999999999993 110.447 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -67.65 -44.99 76.58 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 115.237 -0.892 . . . . 55.100000000000001 109.823 174.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 52.3 mm-40 -70.35 -34.34 72.52 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.732 0.641 . . . . 74.209999999999994 112.732 -175.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 36.6 mmt -65.39 -35.9 82.34 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 109.469 -0.567 . . . . 75.230000000000004 109.469 174.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 64.3 tttp -68.12 -43.33 78.64 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 115.558 -0.747 . . . . 63.229999999999997 110.111 174.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -55.43 -36.93 67.03 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 124.507 1.123 . . . . 64.109999999999999 111.191 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 66.8 mt -67.72 -44.6 77.25 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.359 -0.837 . . . . 74.310000000000002 109.756 176.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.81 -22.92 63.26 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.148 0.979 . . . . 65.230000000000004 112.092 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 14.1 mm-40 -77.73 -54.99 5.72 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 108.437 -0.949 . . . . 63.350000000000001 108.437 174.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -114.56 105.79 13.5 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 114.528 -1.214 . . . . 70.319999999999993 110.629 -170.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -101.81 -4.04 27.0 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.786 0.834 . . . . 73.540000000000006 109.094 170.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -87.01 29.05 0.85 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.586 1.555 . . . . 70.319999999999993 112.504 -172.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -147.33 176.66 9.83 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.293 0.637 . . . . 74.219999999999999 109.867 172.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.451 ' HG3' HE22 ' A' ' 28' ' ' GLN . 5.9 pt-20 -77.77 -179.83 6.2 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.193 0.997 . . . . 62.219999999999999 112.681 -173.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 14.1 ptpt -66.59 153.55 42.75 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.018 1.327 . . . . 54.130000000000003 112.694 -174.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.0 mp -122.48 143.1 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.873 0.869 . . . . 75.5 109.514 -169.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 tt -108.65 121.86 45.9 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.456 1.103 . . . . 65.140000000000001 109.699 175.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.4 mm -106.05 145.98 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.003 0 C-N-CA 124.196 0.998 . . . . 71.120000000000005 109.289 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 61.8 mt -126.33 149.26 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 107.134 -1.432 . . . . 73.120000000000005 107.134 170.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.4 t -155.52 151.04 27.18 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.447 0.699 . . . . 71.450000000000003 109.41 174.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -87.82 -38.31 15.81 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.318 0.647 . . . . 74.150000000000006 109.752 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -95.39 143.78 26.46 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.088 0.955 . . . . 73.129999999999995 110.486 -176.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 89' ' ' GLU . 61.8 mttp -86.28 -23.47 26.32 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.938 0.895 . . . . 61.520000000000003 112.27 -174.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -77.4 -23.18 50.73 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.321 0.248 . . . . 71.319999999999993 110.531 178.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.591 HD13 HG12 ' A' ' 32' ' ' VAL . 74.2 mt -67.79 -44.25 77.81 Favored 'General case' 0 C--O 1.253 1.284 0 N-CA-C 109.387 -0.598 . . . . 75.329999999999998 109.387 170.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.561 HD13 HD11 ' A' ' 80' ' ' LEU . 87.1 mt -55.26 -49.66 71.48 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 114.473 -1.24 . . . . 61.219999999999999 109.575 175.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -48.1 -53.12 17.63 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.456 1.098 . . . . 74.109999999999999 110.761 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -53.54 -53.79 46.63 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 124.511 1.132 . . . . 73.329999999999998 111.215 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 77.5 mtm -64.3 -47.41 79.58 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.583 -0.735 . . . . 65.340000000000003 112.161 -175.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 73.0 mt -52.25 -40.03 61.16 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 124.486 1.114 . . . . 71.519999999999996 111.319 -178.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -73.55 -47.72 38.51 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.053 -0.976 . . . . 50.130000000000003 110.909 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.66 -48.71 76.13 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 123.619 0.574 . . . . 71.450000000000003 112.072 -175.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 96.3 mt -54.54 -35.92 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 125.313 1.445 . . . . 72.239999999999995 111.588 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.6 t -59.05 -50.57 73.56 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.971 0.908 . . . . 71.140000000000001 111.463 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.456 ' HD2' ' H ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -86.05 -7.23 58.76 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 111.652 0.241 . . . . 72.319999999999993 111.652 179.102 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.0 mt -72.42 -24.49 61.24 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 108.917 -0.771 . . . . 73.450000000000003 108.917 166.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.4 39.94 3.82 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 111.37 -0.692 . . . . 54.130000000000003 111.37 171.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.406 ' HE2' ' HB3' ' A' ' 45' ' ' LEU . 17.2 m-85 -123.63 152.03 42.39 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.932 0.893 . . . . 63.530000000000001 109.693 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -67.54 119.52 12.46 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 123.919 0.762 . . . . 73.340000000000003 110.002 171.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.2 t -92.13 110.17 22.41 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 C-N-CA 123.576 0.75 . . . . 61.439999999999998 109.537 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -112.18 144.22 41.94 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 108.174 -1.047 . . . . 72.420000000000002 108.174 173.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.561 HD11 HD13 ' A' ' 64' ' ' LEU . 51.9 tp -137.05 146.97 45.84 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.351 -0.981 . . . . 73.129999999999995 108.351 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.0 tp -144.86 120.88 10.72 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.346 -1.724 . . . . 73.549999999999997 106.346 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -123.54 134.98 53.78 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.453 0.645 . . . . 74.430000000000007 110.501 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -130.8 144.19 51.28 Favored 'General case' 0 C--O 1.238 0.447 0 CA-C-N 114.864 -1.062 . . . . 72.409999999999997 108.37 176.262 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -165.87 163.5 18.63 Favored 'General case' 0 C--O 1.247 0.924 0 N-CA-C 108.331 -0.988 . . . . 74.310000000000002 108.331 174.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -71.34 -38.15 71.65 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.641 -0.503 . . . . 43.439999999999998 109.641 174.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -86.16 126.49 34.27 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.358 1.063 . . . . 54.020000000000003 109.284 175.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -91.36 -8.16 48.81 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 111.911 0.337 . . . . 75.109999999999999 111.911 -176.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -71.53 -39.09 70.96 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 118.902 0.774 . . . . 71.209999999999994 109.703 174.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.422 ' HB3' ' HE2' ' A' ' 61' ' ' LYS . 56.5 mm-40 -57.65 -37.36 73.22 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.23 1.012 . . . . 74.439999999999998 110.719 173.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 66.8 mt -78.1 -54.91 5.73 Favored 'General case' 0 C--O 1.209 -1.049 0 CA-C-N 115.522 -0.763 . . . . 75.120000000000005 111.351 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -67.8 -47.91 67.75 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.617 1.167 . . . . 65.209999999999994 111.244 -168.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 53.6 mt-10 -63.43 -48.18 78.82 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 123.669 0.606 . . . . 72.030000000000001 110.745 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.427 ' O ' HG12 ' A' ' 97' ' ' ILE . 58.8 t80 -67.13 -39.45 86.6 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 123.565 0.54 . . . . 71.200000000000003 110.18 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -58.73 -54.67 44.42 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.262 1.025 . . . . 60.399999999999999 111.327 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.455 ' NH2' ' HG2' ' A' ' 92' ' ' GLU . 22.6 ptt180 -65.38 -21.82 66.72 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 123.802 0.688 . . . . 75.230000000000004 111.702 -174.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 11.3 mmpt? -69.68 -49.07 57.11 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 109.795 -0.446 . . . . 64.400000000000006 109.795 170.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 93' ' ' PHE . 50.3 mm -65.34 -33.91 66.9 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.277 0 C-N-CA 123.778 0.831 . . . . 75.430000000000007 111.277 -177.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -62.83 -39.74 95.28 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.831 0.853 . . . . 65.409999999999997 110.726 172.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.8 t -68.16 -37.17 80.73 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.289 0.635 . . . . 55.340000000000003 110.568 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.409 ' NE2' HD13 ' A' ' 97' ' ' ILE . 32.8 mt-30 -69.45 -19.11 63.77 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.009 0.924 . . . . 73.219999999999999 111.541 175.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 98.44 1.92 57.79 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-O 119.556 -0.58 . . . . 65.329999999999998 114.059 173.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -86.32 144.59 27.3 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.024 0.53 . . . . 72.409999999999997 109.812 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.79 123.51 22.79 Favored 'General case' 0 C--N 1.344 0.367 0 N-CA-C 109.117 -0.697 . . . . 71.340000000000003 109.117 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 p -138.12 129.28 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.561 0.744 . . . . 50.210000000000001 110.127 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -113.67 143.12 45.12 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.922 -0.769 . . . . 73.150000000000006 108.922 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.515 ' HA ' HD12 ' A' ' 82' ' ' LEU . 21.5 ptmt -113.88 143.71 44.23 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.204 0.602 . . . . 63.240000000000002 110.178 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 83' ' ' GLN . 6.7 m -152.57 130.18 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.835 1.254 . . . . 65.349999999999994 109.468 177.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.4 m -79.75 -33.08 41.01 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.47 0.652 . . . . 75.120000000000005 109.716 172.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -88.38 143.15 27.18 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.324 -0.853 . . . . 74.040000000000006 111.106 -174.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.472 ' HB2' HD13 ' A' ' 14' ' ' LEU . 6.1 p-10 -76.33 -31.6 58.23 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.155 0.982 . . . . 64.430000000000007 109.255 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -54.04 -52.3 61.31 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.394 1.878 . . . . 63.43 110.73 168.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -72.08 -24.14 61.45 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.48 -0.782 . . . . 73.129999999999995 111.954 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.434 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -66.61 -45.17 80.03 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.823 0.449 . . . . 72.340000000000003 110.111 174.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.623 HD11 ' HE2' ' A' ' 17' ' ' LYS . 95.6 mt -61.39 -37.24 82.72 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 123.769 0.668 . . . . 72.430000000000007 110.257 175.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -62.07 -53.53 54.18 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 124.127 0.892 . . . . 74.310000000000002 110.75 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 18.7 mt -69.92 -25.77 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.072 0.549 . . . . 75.150000000000006 112.333 -173.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.456 ' O ' ' HG3' ' A' ' 121' ' ' MET . 60.7 t -55.22 -44.88 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 109.653 -0.499 . . . . 65.230000000000004 109.653 167.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -75.61 -43.97 45.29 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 124.301 1.04 . . . . 72.040000000000006 111.308 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -54.27 -40.29 67.67 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.206 1.002 . . . . 65.219999999999999 111.058 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -57.25 -50.84 71.62 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.895 0.878 . . . . 73.200000000000003 110.836 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.723 ' SD ' ' HG3' ' A' ' 25' ' ' GLN . 59.1 mtt -65.09 -34.41 78.35 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.276 -0.875 . . . . 71.430000000000007 112.002 -168.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 . . . . . 0 CA--C 1.545 0.778 0 O-C-N 123.449 0.468 . . . . 63.210000000000001 110.935 177.027 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm . . . . . 0 C--O 1.239 0.536 0 N-CA-C 108.822 -0.807 . . . . 65.219999999999999 108.822 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.522 ' HG3' ' HB3' ' A' ' 77' ' ' LYS . 3.2 mp0 -91.63 120.69 32.63 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.548 -0.908 . . . . 75.430000000000007 108.548 176.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.575 HD11 HD13 ' A' ' 45' ' ' LEU . 4.2 mm? -100.51 112.44 24.81 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 107.951 -1.129 . . . . 71.310000000000002 107.951 -177.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.427 ' HA ' ' HB3' ' A' ' 79' ' ' PHE . 5.1 tt -106.11 115.97 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.788 0.835 . . . . 74.030000000000001 109.258 -177.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mp -102.53 121.02 41.53 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.194 0.998 . . . . 63.240000000000002 108.352 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.503 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 2.8 mp -100.46 132.46 46.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 109.316 -0.624 . . . . 34.130000000000003 109.316 177.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.448 ' HB3' ' HA ' ' A' ' 82' ' ' LEU . 3.4 t-20 -99.08 113.12 25.16 Favored 'General case' 0 C--N 1.346 0.418 0 N-CA-C 107.404 -1.332 . . . . 73.450000000000003 107.404 168.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.649 HG23 HG12 ' A' ' 15' ' ' ILE . 2.5 t -148.37 117.71 6.92 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 109.302 -0.629 . . . . 64.299999999999997 109.302 169.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.68 -0.79 57.59 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.898 -0.592 . . . . 74.430000000000007 110.204 170.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -84.7 97.88 9.91 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.917 -1.142 . . . . 75.040000000000006 107.917 173.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -51.6 -38.57 55.17 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.444 1.498 . . . . 73.340000000000003 112.462 -176.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -60.09 -47.66 84.95 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 124.914 1.384 . . . . 74.129999999999995 110.127 -177.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.407 ' O ' HG13 ' A' ' 18' ' ' ILE . 52.8 tp -67.3 -38.5 85.11 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.771 -1.104 . . . . 73.140000000000001 111.142 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.649 HG12 HG23 ' A' ' 9' ' ' THR . 58.9 mt -52.85 -45.42 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 C-N-CA 122.911 0.484 . . . . 61.5 110.271 178.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -62.12 -42.43 99.23 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.208 -0.905 . . . . 31.129999999999999 111.045 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 58.2 mtpt -65.6 -46.0 81.03 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.242 -0.89 . . . . 75.540000000000006 110.886 -178.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.561 ' O ' HG23 ' A' ' 22' ' ' VAL . 74.9 mt -57.51 -46.32 86.01 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 C-N-CA 123.833 0.853 . . . . 71.310000000000002 109.873 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.616 ' HG2' HG11 ' A' ' 29' ' ' VAL . 85.4 mttt -51.55 -50.88 59.2 Favored 'General case' 0 N--CA 1.483 1.21 0 O-C-N 124.016 0.823 . . . . 61.210000000000001 111.447 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -66.42 -35.31 79.99 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 123.953 0.783 . . . . 74.219999999999999 111.808 -177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 36.1 mm-40 -57.45 -50.52 72.75 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 123.752 0.658 . . . . 75.519999999999996 109.797 174.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.569 HG21 HD22 ' A' ' 55' ' ' LEU . 54.6 t -71.45 -27.66 29.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 C-N-CA 125.184 1.394 . . . . 63.109999999999999 111.527 -174.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -71.6 -33.09 68.7 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.487 0.715 . . . . 62.130000000000003 110.78 175.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -83.92 -15.16 48.99 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 122.616 0.366 . . . . 52.030000000000001 110.864 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 84.2 mm-40 -83.28 -22.77 32.89 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.174 0.59 . . . . 74.549999999999997 109.822 168.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.94 4.54 67.02 Favored Glycine 0 C--N 1.352 1.47 0 N-CA-C 114.46 0.544 . . . . 62.340000000000003 114.46 175.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.43 ' CE2' ' SD ' ' A' ' 121' ' ' MET . 1.2 m-85 -85.64 166.81 15.89 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.478 0.711 . . . . 73.120000000000005 110.47 -178.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.6 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 70.7 mt-30 -89.23 143.6 26.72 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.986 0.914 . . . . 74.120000000000005 109.9 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.616 HG11 ' HG2' ' A' ' 19' ' ' LYS . 20.1 t -121.26 121.78 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 C-N-CA 123.043 0.537 . . . . 75.400000000000006 110.408 -178.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.6 ' NH1' ' HB3' ' A' ' 28' ' ' GLN . 10.0 mpt_? -122.73 108.57 13.2 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 109.003 -0.739 . . . . 64.129999999999995 109.003 168.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -93.1 122.68 35.71 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.584 -0.895 . . . . 74.019999999999996 108.584 173.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.534 HG11 ' HB3' ' A' ' 38' ' ' LEU . 96.6 t -99.09 118.76 46.15 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 C-N-CA 123.459 0.704 . . . . 71.129999999999995 109.115 -177.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -111.65 -19.83 12.35 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.509 1.524 . . . . 72.450000000000003 109.431 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -137.25 147.82 46.02 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.658 1.183 . . . . 74.140000000000001 109.253 -174.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.8 m -64.13 -21.05 66.39 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.929 0.892 . . . . 73.200000000000003 112.969 -173.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -76.58 -31.45 57.53 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.048 0.539 . . . . 75.239999999999995 110.135 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.9 -30.37 68.84 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.47 0.708 . . . . 61.130000000000003 111.995 -177.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.534 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.0 pp -78.55 -42.23 29.86 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 117.762 0.255 . . . . 73.329999999999998 110.697 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -73.8 -31.76 63.41 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.811 0.444 . . . . 55.509999999999998 111.516 -172.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.432 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 22.2 ptmt -67.14 -35.19 79.18 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 123.35 0.406 . . . . 64.430000000000007 109.906 175.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 61.4 mm-40 -77.45 -33.24 54.81 Favored 'General case' 0 C--O 1.21 -0.998 0 CA-C-N 115.914 -0.585 . . . . 74.109999999999999 111.18 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.498 ' HG3' HD13 ' A' ' 70' ' ' LEU . 35.7 mmt -60.61 -33.43 72.74 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 118.437 0.562 . . . . 74.239999999999995 110.446 174.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.61 -50.74 63.95 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.683 0.793 . . . . 64.310000000000002 110.921 173.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 14.0 mmmm -60.55 -47.7 85.03 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.666 0.786 . . . . 64.400000000000006 111.319 -177.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.575 HD13 HD11 ' A' ' 4' ' ' LEU . 54.9 mt -74.53 -30.99 61.99 Favored 'General case' 0 C--O 1.219 -0.52 0 C-N-CA 123.58 0.752 . . . . 60.530000000000001 111.026 -173.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.19 -55.99 17.87 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.384 0.673 . . . . 73.310000000000002 110.811 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -73.17 -43.34 61.62 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.55 -1.205 . . . . 54.229999999999997 111.709 -170.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -82.42 118.48 23.24 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 108.732 -0.84 . . . . 70.420000000000002 108.732 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -105.62 -66.89 0.95 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 120.68 0.276 . . . . 72.319999999999993 111.631 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -76.96 94.06 3.9 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.325 0.65 . . . . 75.439999999999998 110.476 -174.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -172.75 -177.48 1.68 Allowed 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 125.067 1.347 . . . . 75.310000000000002 109.333 171.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.61 153.79 40.6 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 120.915 0.388 . . . . 72.340000000000003 111.877 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -81.66 149.76 28.38 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.578 -0.737 . . . . 71.430000000000007 110.564 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 54' ' ' ILE . 3.4 mp -112.23 132.35 61.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 115.013 -0.994 . . . . 64.140000000000001 109.684 -163.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.569 HD22 HG21 ' A' ' 22' ' ' VAL . 4.0 tt -91.68 115.12 27.79 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.324 -0.853 . . . . 63.149999999999999 108.879 172.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.7 mm -98.04 138.71 21.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 124.092 0.957 . . . . 74.230000000000004 108.465 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 56.3 mt -117.09 154.99 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 N-CA-C 107.179 -1.415 . . . . 61.130000000000003 107.179 165.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.3 t -156.02 145.79 21.16 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.206 -1.035 . . . . 63.450000000000003 108.206 167.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -105.24 23.75 13.19 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 124.001 0.92 . . . . 60.240000000000002 110.843 -175.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.426 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 20.9 t70 -145.12 136.84 25.47 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 123.011 0.524 . . . . 74.150000000000006 110.369 176.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' A' ' 64' ' ' LEU . 49.9 mtpt -71.08 -33.88 70.63 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.25 1.02 . . . . 74.319999999999993 111.527 -172.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -75.34 -33.31 61.1 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.709 0.404 . . . . 71.310000000000002 110.81 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.517 HD13 HG12 ' A' ' 32' ' ' VAL . 53.8 mt -65.66 -44.21 87.01 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 109.418 -0.586 . . . . 70.129999999999995 109.418 178.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.459 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 37.1 mt -58.94 -51.54 69.59 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 114.604 -1.18 . . . . 74.040000000000006 110.978 174.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -56.29 -41.92 76.68 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.585 1.154 . . . . 71.019999999999996 111.505 -174.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -61.23 -53.4 57.34 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 123.695 0.622 . . . . 53.299999999999997 111.174 172.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.492 ' SD ' ' HB2' ' A' ' 38' ' ' LEU . 76.7 mtm -62.37 -30.7 71.38 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.86 0.689 . . . . 72.430000000000007 112.86 -176.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.499 HD11 HD22 ' A' ' 80' ' ' LEU . 80.4 mt -60.55 -43.22 97.47 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.001 0.52 . . . . 73.030000000000001 110.751 177.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -81.28 -29.98 34.14 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.225 -0.898 . . . . 62.140000000000001 111.39 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.498 HD13 ' HG3' ' A' ' 42' ' ' MET . 90.7 mt -67.85 -54.67 17.11 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.042 0.537 . . . . 70.129999999999995 109.99 176.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.446 HG22 HG22 ' A' ' 78' ' ' VAL . 98.1 mt -59.94 -30.1 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 124.555 1.142 . . . . 71.400000000000006 111.399 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.9 t -66.4 -40.55 89.7 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.123 0.569 . . . . 72.430000000000007 111.237 175.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -16.1 40.58 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 119.569 -0.253 . . . . 73.409999999999997 111.365 177.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 51.4 mt -71.42 -34.99 70.81 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 108.856 -0.794 . . . . 72.349999999999994 108.856 170.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.78 67.18 0.98 Allowed Glycine 0 C--N 1.346 1.129 0 CA-C-N 115.53 -0.759 . . . . 71.519999999999996 111.751 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -141.17 151.98 44.29 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.443 1.097 . . . . 64.010000000000005 109.677 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.522 ' HB3' ' HG3' ' A' ' 3' ' ' GLU . 49.9 tptt -70.05 108.73 4.2 Favored 'General case' 0 C--N 1.352 0.678 0 N-CA-C 108.586 -0.894 . . . . 75.409999999999997 108.586 175.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 71' ' ' ILE . 39.2 t -89.15 130.25 38.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 123.685 0.794 . . . . 75.099999999999994 109.59 -172.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.427 ' HB3' ' HA ' ' A' ' 5' ' ' ILE . 21.3 t80 -128.32 145.3 51.11 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 106.913 -1.514 . . . . 75.129999999999995 106.913 177.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.499 HD22 HD11 ' A' ' 68' ' ' LEU . 56.8 tp -139.51 102.05 4.37 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 108.995 -0.743 . . . . 44.539999999999999 108.995 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.503 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 46.2 tp -92.59 111.55 23.18 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 107.358 -1.349 . . . . 65.340000000000003 107.358 171.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.448 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 3.8 pp -111.27 144.38 40.53 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.33 0.513 . . . . 73.450000000000003 110.866 -176.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.04 150.39 25.67 Favored 'General case' 0 C--O 1.244 0.763 0 C-N-CA 124.051 0.94 . . . . 65.129999999999995 109.622 -176.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.406 ' H ' HD11 ' A' ' 90' ' ' LEU . 7.6 t70 -164.45 172.53 13.24 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-N 114.834 -1.076 . . . . 74.129999999999995 108.263 172.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -78.96 -15.75 57.86 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.28 0.632 . . . . 64.310000000000002 110.655 173.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -101.21 142.15 33.06 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.486 1.114 . . . . 73.420000000000002 109.701 173.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -90.38 -37.44 13.99 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.542 0.737 . . . . 75.030000000000001 111.848 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -57.11 -44.57 83.37 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.394 0.678 . . . . 73.329999999999998 111.891 -170.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -63.46 -37.4 87.15 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 115.327 -0.851 . . . . 72.129999999999995 111.59 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.406 HD11 ' H ' ' A' ' 84' ' ' ASP . 70.1 mt -72.06 -53.76 11.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.759 0.824 . . . . 75.120000000000005 111.999 -173.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.8 -42.45 99.02 Favored 'General case' 0 C--O 1.247 0.948 0 C-N-CA 123.577 0.751 . . . . 74.129999999999995 111.792 -174.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 1.7 pp20? -74.99 -32.11 61.58 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 123.823 0.702 . . . . 74.150000000000006 110.599 -177.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.541 ' O ' HG12 ' A' ' 97' ' ' ILE . 6.0 t80 -69.19 -49.28 58.05 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.401 -0.592 . . . . 72.040000000000006 109.401 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.425 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 20.8 ttpt -55.88 -51.92 65.87 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.157 0.983 . . . . 73.109999999999999 111.92 -176.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -59.74 -28.5 67.41 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 123.806 0.691 . . . . 63.5 112.435 -175.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 30.7 mmtp -69.86 -51.32 34.38 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.451 -0.574 . . . . 63.100000000000001 109.451 175.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 93' ' ' PHE . 34.7 mm -68.09 -28.87 42.62 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.421 0 CA-C-N 114.564 -1.198 . . . . 65.129999999999995 111.487 -171.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -61.44 -46.75 88.78 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 123.584 0.754 . . . . 72.120000000000005 110.636 169.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.0 t -72.44 -17.95 61.74 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.292 -0.867 . . . . 71.310000000000002 111.185 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -90.3 1.61 56.36 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.335 1.054 . . . . 70.430000000000007 111.512 175.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 73.91 31.4 60.1 Favored Glycine 0 C--N 1.35 1.355 0 N-CA-C 114.156 0.422 . . . . 65.0 114.156 171.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.525 ' HB2' HG22 ' A' ' 97' ' ' ILE . 38.7 m-85 -110.89 139.58 46.1 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 108.725 -0.842 . . . . 75.219999999999999 108.725 174.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -73.36 88.59 1.57 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.077 0.551 . . . . 71.549999999999997 109.915 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.0 p -109.19 136.22 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.614 0.766 . . . . 62.43 110.721 -173.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -123.55 146.1 48.38 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.695 1.198 . . . . 70.200000000000003 108.928 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.425 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 28.5 ttpp -114.56 129.8 56.7 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.391 0.676 . . . . 64.109999999999999 110.532 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.9 m -135.34 133.52 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 108.615 -0.883 . . . . 74.319999999999993 108.615 173.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.3 m -97.41 -0.37 46.39 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 121.528 0.68 . . . . 62.520000000000003 110.063 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -125.3 150.52 47.04 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.494 0.717 . . . . 64.140000000000001 111.017 -171.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -57.86 -55.28 36.95 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.418 1.487 . . . . 50.25 111.393 173.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.48 -38.76 92.15 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.786 0.834 . . . . 71.25 111.781 -174.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -65.28 -31.24 72.29 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.465 0.706 . . . . 43.299999999999997 110.908 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.72 70.33 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.342 0.657 . . . . 41.119999999999997 110.626 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.427 HD22 ' HG3' ' A' ' 21' ' ' GLU . 89.5 mt -61.64 -33.34 73.78 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.457 0.703 . . . . 55.420000000000002 110.821 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -62.58 -57.51 10.85 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 123.698 0.624 . . . . 73.120000000000005 111.116 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 56.0 mt -64.98 -28.64 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 123.047 0.539 . . . . 62.009999999999998 111.81 -174.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 50.1 t -58.76 -48.78 85.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 C-N-CA 123.436 0.695 . . . . 63.140000000000001 110.977 171.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -76.41 -44.73 34.74 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.706 0.802 . . . . 73.310000000000002 111.377 -175.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.58 -26.21 68.31 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.816 0.847 . . . . 73.120000000000005 112.06 175.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -57.9 -42.02 83.84 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.914 0.486 . . . . 74.219999999999999 110.356 173.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.43 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 11.9 mmt -59.62 -23.33 62.91 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 124.033 0.833 . . . . 73.010000000000005 112.571 -172.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 . . . . . 0 CA--C 1.561 1.375 0 C-N-CA 123.358 0.663 . . . . 72.25 111.116 173.363 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt . . . . . 0 C--O 1.243 0.737 0 CA-C-O 121.778 0.799 . . . . 70.129999999999995 110.725 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.54 ' HG3' ' HD2' ' A' ' 77' ' ' LYS . 2.0 mp0 -113.46 133.27 55.3 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-N 113.382 -1.735 . . . . 73.120000000000005 108.756 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.84 111.73 20.11 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 107.632 -1.248 . . . . 73.439999999999998 107.632 173.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.467 HG23 ' HG ' ' A' ' 55' ' ' LEU . 3.8 tt -108.04 128.57 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 123.901 0.88 . . . . 75.040000000000006 108.798 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -112.57 120.21 40.8 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 107.913 -1.143 . . . . 62.539999999999999 107.913 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.524 HG21 HD13 ' A' ' 18' ' ' ILE . 3.1 mp -99.37 141.48 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 N-CA-C 108.057 -1.09 . . . . 65.310000000000002 108.057 176.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.589 ' HB2' HD11 ' A' ' 64' ' ' LEU . 27.2 t-20 -121.47 112.6 18.72 Favored 'General case' 0 C--N 1.345 0.413 0 C-N-CA 122.948 0.499 . . . . 73.150000000000006 110.063 173.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.406 HG23 HG12 ' A' ' 15' ' ' ILE . 6.5 t -146.53 124.05 11.73 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 108.128 -1.064 . . . . 44.409999999999997 108.128 165.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -79.85 -18.04 51.76 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 122.704 0.402 . . . . 73.239999999999995 110.06 174.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -67.47 102.44 1.13 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.166 -1.05 . . . . 70.209999999999994 108.166 175.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -58.68 -35.24 72.29 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.755 1.222 . . . . 52.329999999999998 112.265 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -72.7 -37.14 67.93 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.277 -0.874 . . . . 61.149999999999999 110.586 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 110' ' ' ASP . 41.3 tp -71.53 -31.23 66.81 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.896 0.478 . . . . 72.099999999999994 110.965 177.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.499 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 65.2 mt -52.24 -45.16 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 N-CA-C 109.424 -0.584 . . . . 62.549999999999997 109.424 173.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -60.6 -41.9 95.7 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.582 1.153 . . . . 74.140000000000001 111.866 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HE2' HD11 ' A' ' 114' ' ' LEU . 57.2 mtpt -66.18 -40.38 90.42 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.666 0.786 . . . . 75.239999999999995 110.887 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 22' ' ' VAL . 60.6 mt -65.92 -40.49 87.61 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 CA-C-N 115.482 -0.781 . . . . 71.030000000000001 108.975 176.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 83.5 mttt -56.31 -51.61 67.57 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.615 0.766 . . . . 70.219999999999999 111.435 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -32.02 73.11 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.329 0.393 . . . . 74.409999999999997 111.345 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.535 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 61.6 mm-40 -62.15 -40.64 96.64 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.589 0.355 . . . . 71.540000000000006 111.355 172.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 18' ' ' ILE . 57.9 t -67.08 -31.36 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.888 0.875 . . . . 40.140000000000001 110.917 177.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.47 -29.73 61.57 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.566 0.746 . . . . 74.150000000000006 110.643 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -67.1 -30.74 70.84 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.048 0.539 . . . . 71.299999999999997 110.048 172.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 62.9 mm-40 -84.85 -27.58 26.63 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.435 0.694 . . . . 72.0 110.063 177.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.79 33.49 15.62 Favored Glycine 0 C--N 1.356 1.677 0 C-N-CA 123.692 0.663 . . . . 70.519999999999996 114.063 176.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.441 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 2.3 m-85 -99.5 165.68 11.52 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.815 0.846 . . . . 74.420000000000002 110.189 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.51 HE21 HG13 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -77.03 112.99 14.26 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 107.718 -1.215 . . . . 64.519999999999996 107.718 178.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.76 101.17 6.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 O-C-N 123.777 0.673 . . . . 72.040000000000006 109.42 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -116.81 109.17 16.76 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.217 0.607 . . . . 73.319999999999993 109.395 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -101.74 116.42 32.7 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 108.556 -0.905 . . . . 74.349999999999994 108.556 173.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.606 HG12 HD13 ' A' ' 63' ' ' LEU . 84.2 t -90.0 119.78 37.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 C-N-CA 123.962 0.905 . . . . 74.319999999999993 108.798 175.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -116.67 -7.62 11.53 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.24 1.016 . . . . 65.400000000000006 109.373 175.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -131.13 143.4 50.61 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.44 1.096 . . . . 51.439999999999998 109.856 -172.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.7 m -70.58 -24.4 62.76 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.797 0.839 . . . . 74.040000000000006 112.937 -173.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.514 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 17.4 t70 -80.99 -31.02 34.87 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.805 -0.443 . . . . 73.540000000000006 109.805 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -54.18 -50.08 67.84 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.846 0.459 . . . . 70.109999999999999 111.924 175.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.574 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.2 pp -62.5 -40.91 98.25 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.541 0.526 . . . . 73.019999999999996 111.541 -173.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.514 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 17.6 ptpt -66.61 -34.51 78.05 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 110.483 -0.192 . . . . 61.509999999999998 110.483 -175.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -61.4 -49.1 78.26 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.161 0.984 . . . . 75.319999999999993 111.183 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 5.7 pt-20 -82.81 -26.68 31.52 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.387 -0.824 . . . . 74.450000000000003 112.119 -173.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 37.3 mmt -62.73 -39.2 93.33 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.262 0.553 . . . . 71.120000000000005 109.956 171.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.54 -43.64 69.15 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.119 -0.946 . . . . 70.400000000000006 110.44 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 41' ' ' GLU . 41.1 mmtm -54.04 -34.07 59.01 Favored 'General case' 0 N--CA 1.501 2.085 0 C-N-CA 124.163 0.985 . . . . 53.43 112.225 177.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 96.2 mt -57.33 -48.7 78.3 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.751 0.821 . . . . 74.299999999999997 111.082 174.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.02 -17.24 33.42 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.166 0.986 . . . . 74.219999999999999 112.223 -176.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -74.67 -52.83 10.58 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.99 0.516 . . . . 74.519999999999996 109.833 177.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -81.57 138.15 35.43 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 109.188 -0.671 . . . . 74.109999999999999 109.188 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -77.67 -50.79 11.74 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.754 0.822 . . . . 62.030000000000001 111.296 -173.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -141.27 121.21 13.61 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.897 0.479 . . . . 74.019999999999996 110.647 -173.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.419 ' CE2' HD11 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -169.22 163.56 10.92 Favored 'General case' 0 C--O 1.25 1.123 0 C-N-CA 124.907 1.283 . . . . 74.230000000000004 108.493 175.353 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.4 160.74 26.76 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.726 0.81 . . . . 63.119999999999997 111.76 -175.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.435 ' HE3' ' OH ' ' A' ' 27' ' ' TYR . 42.2 pttt -71.82 148.79 45.89 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 114.727 -1.124 . . . . 74.450000000000003 111.954 -177.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.51 HG13 HE21 ' A' ' 28' ' ' GLN . 2.7 mp -112.08 146.91 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.713 1.205 . . . . 55.329999999999998 108.49 -172.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.526 HD22 HG21 ' A' ' 22' ' ' VAL . 9.4 tt -109.18 122.25 46.9 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 108.964 -0.754 . . . . 73.299999999999997 108.964 175.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.7 mm -104.94 130.25 56.3 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 124.475 1.11 . . . . 60.229999999999997 109.453 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.407 HG21 HG23 ' A' ' 15' ' ' ILE . 51.7 mt -111.33 153.12 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 106.909 -1.515 . . . . 72.200000000000003 106.909 167.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.8 t -150.43 144.81 25.66 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 109.327 -0.62 . . . . 64.409999999999997 109.327 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -96.94 1.74 50.75 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.377 1.071 . . . . 71.109999999999999 110.851 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -136.01 141.69 44.38 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.859 0.864 . . . . 71.329999999999998 110.943 -177.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.74 -21.73 25.0 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.099 0.96 . . . . 63.549999999999997 113.215 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -67.91 -35.57 78.69 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 109.796 -0.446 . . . . 61.100000000000001 109.796 176.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.606 HD13 HG12 ' A' ' 32' ' ' VAL . 57.4 mt -64.41 -44.61 90.7 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 123.628 0.771 . . . . 72.209999999999994 110.134 177.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.589 HD11 ' HB2' ' A' ' 8' ' ' ASN . 78.9 mt -57.26 -50.29 73.35 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 114.693 -1.14 . . . . 70.430000000000007 110.241 177.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -62.64 -40.91 98.51 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 124.459 1.1 . . . . 71.329999999999998 110.953 -166.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -60.62 -53.88 52.05 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.432 -0.804 . . . . 73.010000000000005 111.267 170.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.429 ' SD ' ' HB2' ' A' ' 38' ' ' LEU . 75.9 mtm -63.9 -30.87 71.91 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.001 0.741 . . . . 72.409999999999997 113.001 -173.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 88.9 mt -58.58 -35.67 72.77 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.359 0.663 . . . . 71.310000000000002 111.124 176.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -83.04 -36.44 24.96 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.121 0.968 . . . . 71.540000000000006 111.136 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.2 -52.88 52.06 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.827 0.851 . . . . 72.319999999999993 111.325 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 71.8 mt -64.35 -30.54 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 124.153 0.981 . . . . 75.409999999999997 110.685 178.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.2 t -68.75 -42.74 77.12 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.513 0.725 . . . . 63.240000000000002 110.955 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -22.33 53.06 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.092 0.157 . . . . 64.430000000000007 111.169 178.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.0 mt -71.33 -29.78 65.42 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.408 0.683 . . . . 74.109999999999999 109.606 170.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.05 10.38 56.24 Favored Glycine 0 C--N 1.345 1.081 0 CA-C-N 115.234 -0.894 . . . . 63.530000000000001 113.122 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 45' ' ' LEU . 35.0 m-85 -83.54 166.14 18.5 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 117.404 0.602 . . . . 71.420000000000002 111.27 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.54 ' HD2' ' HG3' ' A' ' 3' ' ' GLU . 30.2 ttmt -78.39 113.88 16.78 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.686 -1.143 . . . . 73.140000000000001 109.857 -177.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -90.82 119.89 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 123.806 0.842 . . . . 65.310000000000002 109.99 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -117.88 137.99 52.43 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 106.582 -1.636 . . . . 73.450000000000003 106.582 170.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.443 HD23 HG13 ' A' ' 97' ' ' ILE . 59.3 tp -132.21 102.91 5.97 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 109.389 -0.597 . . . . 63.240000000000002 109.389 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.1 tp -86.44 129.74 34.75 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 107.602 -1.258 . . . . 65.310000000000002 107.602 166.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.41 HD22 ' CD2' ' A' ' 93' ' ' PHE . 4.1 pp -133.99 142.25 47.58 Favored 'General case' 0 C--O 1.245 0.827 0 N-CA-C 108.935 -0.765 . . . . 74.150000000000006 108.935 176.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.86 142.81 30.23 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 108.775 -0.824 . . . . 62.549999999999997 108.775 178.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.563 ' N ' HD21 ' A' ' 90' ' ' LEU . 13.2 m-20 -150.07 166.35 30.02 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.042 1.337 . . . . 73.319999999999993 108.246 177.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -81.17 -30.79 34.29 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 115.461 -0.791 . . . . 51.0 109.538 168.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -82.5 106.14 14.13 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.416 0.686 . . . . 70.540000000000006 109.315 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.5 ' HA ' HD12 ' A' ' 90' ' ' LEU . 10.0 tp10 -65.72 -34.05 77.29 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.648 0.779 . . . . 73.530000000000001 110.951 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -64.76 -34.22 77.81 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.011 0.524 . . . . 64.540000000000006 110.991 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -68.77 -41.05 79.34 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.718 0.407 . . . . 72.239999999999995 111.005 174.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.563 HD21 ' N ' ' A' ' 84' ' ' ASP . 82.3 mt -61.11 -55.31 33.92 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.171 0.988 . . . . 73.230000000000004 112.506 -177.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -61.8 -45.2 94.89 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.018 0.824 . . . . 52.439999999999998 111.338 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 35.5 mm-40 -68.13 -46.53 70.63 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.073 0.549 . . . . 73.150000000000006 111.856 -177.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.41 ' CD2' HD22 ' A' ' 82' ' ' LEU . 14.4 t80 -66.3 -38.06 86.87 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.608 0.363 . . . . 73.099999999999994 111.175 -179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.497 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 29.1 ttpp -67.09 -48.07 69.3 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.8 0.44 . . . . 74.239999999999995 111.613 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -65.79 -19.14 65.78 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.477 0.547 . . . . 65.109999999999999 112.477 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 10.6 mmpt? -61.89 -51.18 69.21 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 108.976 -0.75 . . . . 73.099999999999994 108.976 168.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.451 HG22 ' HB2' ' A' ' 102' ' ' TYR . 17.6 mm -70.51 -34.65 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-N 114.078 -1.419 . . . . 64.430000000000007 110.954 -175.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -65.99 -38.41 88.43 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.696 0.799 . . . . 75.319999999999993 111.209 172.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.4 t -70.35 -29.52 66.23 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 122.987 0.515 . . . . 71.030000000000001 110.527 176.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -77.2 -22.51 52.24 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.733 0.813 . . . . 74.209999999999994 110.455 173.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.54 47.41 6.38 Favored Glycine 0 C--N 1.35 1.324 0 CA-C-N 115.994 -0.548 . . . . 74.129999999999995 113.0 175.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.451 ' HB2' HG22 ' A' ' 97' ' ' ILE . 79.1 m-85 -112.83 151.01 30.9 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 109.529 -0.545 . . . . 70.310000000000002 109.529 173.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -65.61 94.17 0.19 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.309 1.044 . . . . 72.239999999999995 109.784 175.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.9 p -114.35 150.73 16.27 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 C-N-CA 123.588 0.755 . . . . 74.040000000000006 110.134 -177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.522 ' HB3' HD13 ' A' ' 116' ' ' ILE . 26.9 mmm180 -139.22 150.25 45.31 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.41 1.484 . . . . 73.349999999999994 108.602 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.497 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 1.4 tmmt? -141.56 143.35 33.69 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.527 0.731 . . . . 71.209999999999994 111.277 -175.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.455 HG13 HD11 ' A' ' 116' ' ' ILE . 2.5 m -149.79 158.52 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.957 1.303 . . . . 55.520000000000003 109.819 173.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.8 m -105.21 -33.64 8.17 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.96 -1.018 . . . . 64.219999999999999 109.818 174.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -85.0 143.2 29.08 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.459 0.703 . . . . 64.430000000000007 111.323 -177.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.543 ' HB2' HD13 ' A' ' 14' ' ' LEU . 5.0 p-10 -63.75 -45.36 90.16 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.042 1.337 . . . . 61.439999999999998 111.983 178.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.74 -34.8 79.18 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.616 1.167 . . . . 64.540000000000006 111.544 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -78.21 -23.97 47.25 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.41 -0.814 . . . . 61.439999999999998 110.813 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.407 ' HA ' HG21 ' A' ' 107' ' ' VAL . . . -67.34 -38.85 85.53 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.084 0.554 . . . . 75.030000000000001 110.817 172.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.483 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 38.8 mt -65.94 -29.82 70.29 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.336 -0.847 . . . . 73.109999999999999 110.579 175.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -68.51 -45.13 73.1 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 124.04 0.936 . . . . 71.099999999999994 111.308 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.522 HD13 ' HB3' ' A' ' 105' ' ' ARG . 19.7 mt -69.41 -26.4 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 122.916 0.486 . . . . 74.209999999999994 111.916 -175.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.25 -38.7 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 CA-C-O 121.188 0.518 . . . . 71.340000000000003 109.798 170.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -75.25 -42.4 55.24 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.22 1.008 . . . . 74.230000000000004 110.932 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.6 -33.42 73.87 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.572 0.749 . . . . 71.319999999999993 112.242 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -54.1 -45.35 71.8 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.893 0.877 . . . . 75.120000000000005 111.154 173.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.441 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 17.6 mmt -61.13 -42.19 98.09 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 114.934 -1.03 . . . . 74.049999999999997 111.187 -174.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 . . . . . 0 CA--C 1.553 1.082 0 C-N-CA 123.094 0.558 . . . . 74.019999999999996 111.863 -177.642 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt . . . . . 0 C--O 1.242 0.709 0 CA-C-O 121.542 0.687 . . . . 64.230000000000004 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -115.89 161.04 19.37 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-N 114.713 -1.13 . . . . 52.020000000000003 108.642 170.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.67 113.16 8.43 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 107.124 -1.435 . . . . 60.100000000000001 107.124 176.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.1 tt -107.71 130.07 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.389 0.675 . . . . 70.150000000000006 109.854 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mp -106.22 128.41 53.93 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 108.094 -1.076 . . . . 72.310000000000002 108.094 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 mp -104.17 142.83 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 106.811 -1.552 . . . . 70.109999999999999 106.811 165.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.471 ' CB ' HD11 ' A' ' 64' ' ' LEU . 27.2 t-20 -134.13 123.37 24.31 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.16 -1.052 . . . . 75.030000000000001 108.16 163.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.464 ' HA ' ' O ' ' A' ' 83' ' ' GLN . 7.9 t -145.77 129.0 16.72 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.32 -0.992 . . . . 63.130000000000003 108.32 167.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -89.49 11.54 19.1 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.824 -0.626 . . . . 62.439999999999998 110.113 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -92.92 104.57 16.79 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 107.86 -1.163 . . . . 73.420000000000002 107.86 171.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.79 -46.06 85.16 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.277 1.031 . . . . 74.239999999999995 111.889 -168.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 11.2 pt-20 -61.15 -39.25 89.37 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.868 -0.605 . . . . 54.229999999999997 111.4 -178.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.415 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.3 tp -69.49 -39.35 77.68 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.057 0.543 . . . . 62.210000000000001 110.677 -178.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.689 HG23 HG21 ' A' ' 57' ' ' ILE . 66.1 mt -51.2 -49.03 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 CA-C-O 121.236 0.541 . . . . 71.120000000000005 110.478 176.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 94.5 mttt -60.93 -39.99 91.51 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.308 -1.315 . . . . 75.219999999999999 111.152 -177.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 58.9 mtpt -68.53 -43.68 76.2 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.939 0.775 . . . . 65.120000000000005 111.054 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 22' ' ' VAL . 67.9 mt -61.14 -43.15 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 123.94 0.775 . . . . 73.030000000000001 109.987 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -49.59 -53.88 21.39 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 123.743 0.652 . . . . 74.549999999999997 110.44 174.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 71.4 mmtt -66.83 -34.56 78.07 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.304 0.642 . . . . 71.019999999999996 112.168 -173.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 17.0 mm-40 -59.73 -48.22 82.56 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.049 0.54 . . . . 62.350000000000001 110.028 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 18' ' ' ILE . 58.4 t -76.25 -32.96 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 C-N-CA 124.829 1.252 . . . . 74.450000000000003 111.83 -172.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -76.74 -21.33 55.41 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.465 0.706 . . . . 63.32 110.695 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -70.8 -30.04 66.39 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.165 0.586 . . . . 74.140000000000001 110.203 169.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.679 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 45.1 mm-40 -83.7 -23.64 31.6 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.981 0.513 . . . . 75.129999999999995 110.589 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.97 7.3 57.56 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-N 116.017 -0.538 . . . . 73.409999999999997 113.436 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -76.32 163.25 27.19 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.219 0.608 . . . . 73.420000000000002 110.851 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.558 HE21 HG13 ' A' ' 54' ' ' ILE . 1.5 mp0 -86.37 111.59 20.64 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.852 -0.796 . . . . 61.530000000000001 108.852 -176.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.8 t -98.18 124.64 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 109.518 -0.549 . . . . 62.439999999999998 109.518 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.86 117.34 23.15 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 108.907 -0.775 . . . . 75.530000000000001 108.907 168.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.478 ' HA ' ' O ' ' A' ' 57' ' ' ILE . 7.3 p-10 -90.47 113.35 25.28 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 108.878 -0.786 . . . . 74.519999999999996 108.878 171.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.5 HG11 ' HB2' ' A' ' 38' ' ' LEU . 82.7 t -97.56 121.23 47.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 124.019 0.927 . . . . 73.329999999999998 109.072 177.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -110.69 -27.7 8.78 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.634 1.173 . . . . 55.439999999999998 108.74 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -135.78 154.12 51.32 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.739 1.215 . . . . 72.239999999999995 109.108 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.5 m -63.15 -22.05 66.6 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.35 1.06 . . . . 74.140000000000001 113.292 -172.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -82.72 -21.02 34.94 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.928 0.491 . . . . 73.310000000000002 111.621 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -75.73 -33.88 60.29 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.001 0.52 . . . . 73.340000000000003 109.766 171.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.5 ' HB2' HG11 ' A' ' 32' ' ' VAL . 8.4 tp -64.88 -62.0 1.83 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.519 1.128 . . . . 72.319999999999993 110.546 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -58.8 -27.11 64.73 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.512 0.725 . . . . 51.109999999999999 111.961 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -64.36 -54.9 25.67 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 125.331 1.452 . . . . 75.209999999999994 111.144 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -78.49 -27.41 46.21 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.58 -0.737 . . . . 71.409999999999997 111.349 -172.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.9 mmt -56.57 -41.86 77.63 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.067 0.947 . . . . 72.5 110.668 173.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -62.7 -44.19 96.88 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 115.594 -0.73 . . . . 74.420000000000002 110.752 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -64.62 -31.99 73.46 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.687 0.617 . . . . 63.539999999999999 111.162 -177.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.95 -42.24 90.25 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.109 0.564 . . . . 73.209999999999994 110.918 174.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.73 -41.03 75.84 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 123.869 0.731 . . . . 71.010000000000005 111.153 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.75 -55.22 9.11 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.319 0.648 . . . . 71.109999999999999 110.966 -176.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -78.62 115.11 18.1 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.349 -0.982 . . . . 63.219999999999999 108.349 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -80.74 -65.23 1.04 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.572 0.582 . . . . 60.140000000000001 112.572 -171.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -110.73 96.74 6.36 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 121.903 0.859 . . . . 74.219999999999999 111.818 -168.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -152.81 169.37 22.96 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.781 1.632 . . . . 74.129999999999995 106.988 167.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.49 -172.67 2.62 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 112.995 0.739 . . . . 75.400000000000006 112.995 -170.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -71.29 151.53 44.13 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.833 0.853 . . . . 71.239999999999995 110.738 -165.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.558 HG13 HE21 ' A' ' 28' ' ' GLN . 4.1 mp -118.73 141.71 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.53 0.732 . . . . 62.420000000000002 109.097 -174.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.414 HD22 HG21 ' A' ' 22' ' ' VAL . 5.5 tt -121.75 112.01 17.85 Favored 'General case' 0 C--O 1.245 0.868 0 C-N-CA 124.357 1.063 . . . . 65.5 109.657 -176.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 32.2 mm -104.8 110.71 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 115.446 -0.797 . . . . 74.230000000000004 109.93 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.689 HG21 HG23 ' A' ' 15' ' ' ILE . 54.0 mt -86.96 121.74 38.1 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 N-CA-C 107.399 -1.334 . . . . 62.229999999999997 107.399 171.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.5 t -114.13 138.93 49.78 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.734 -1.209 . . . . 75.219999999999999 107.734 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.484 ' N ' HD22 ' A' ' 59' ' ' ASN . 0.7 OUTLIER -89.28 -5.35 57.65 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.127 0.571 . . . . 61.520000000000003 110.463 -176.617 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -136.7 140.98 43.07 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.844 0.858 . . . . 73.129999999999995 110.014 -175.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -85.54 -17.78 35.33 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.215 0.606 . . . . 75.150000000000006 112.56 -173.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -76.27 -32.7 58.98 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.36 -0.607 . . . . 71.420000000000002 109.36 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.414 HD13 HG12 ' A' ' 32' ' ' VAL . 87.8 mt -66.9 -32.86 74.4 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.569 0.748 . . . . 64.430000000000007 110.559 175.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.471 HD11 ' CB ' ' A' ' 8' ' ' ASN . 95.6 mt -58.13 -54.08 50.97 Favored 'General case' 0 C--N 1.359 1.012 0 O-C-N 123.766 0.666 . . . . 75.120000000000005 110.441 176.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HE3' ' OE1' ' A' ' 100' ' ' GLN . 21.2 tptm -53.5 -48.69 68.73 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 124.284 0.99 . . . . 72.200000000000003 111.19 -173.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -59.35 -46.94 87.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.185 0.994 . . . . 63.43 110.885 177.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 30.2 ttm -63.95 -44.64 92.22 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.964 0.906 . . . . 65.510000000000005 111.194 -176.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.427 HD11 HD22 ' A' ' 80' ' ' LEU . 70.6 mt -53.97 -44.46 70.79 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 125.088 1.355 . . . . 53.420000000000002 111.075 177.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -67.55 -44.17 78.93 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.159 -0.928 . . . . 72.230000000000004 110.822 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.64 -45.99 92.0 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.369 0.668 . . . . 61.210000000000001 111.045 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.488 HG22 HG22 ' A' ' 78' ' ' VAL . 96.9 mt -62.7 -30.75 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.435 1.094 . . . . 64.329999999999998 111.733 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -62.41 -47.17 85.29 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.532 0.733 . . . . 72.310000000000002 111.051 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -6.51 58.53 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 112.172 0.434 . . . . 74.0 112.172 177.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.2 mt -74.63 -34.41 62.78 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 108.948 -0.76 . . . . 73.319999999999993 108.948 167.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.43 10.49 31.26 Favored Glycine 0 C--N 1.351 1.38 0 CA-C-O 119.61 -0.55 . . . . 73.109999999999999 114.313 171.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -83.89 160.37 21.14 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 117.498 0.649 . . . . 72.030000000000001 109.793 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -67.32 119.19 11.77 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.212 -1.033 . . . . 74.349999999999994 108.212 170.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.488 HG22 HG22 ' A' ' 71' ' ' ILE . 20.3 t -88.33 106.44 16.57 Favored 'Isoleucine or valine' 0 C--O 1.245 0.832 0 N-CA-C 108.234 -1.024 . . . . 74.420000000000002 108.234 -175.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -118.55 139.72 51.02 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.155 -1.054 . . . . 75.340000000000003 108.155 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.427 HD22 HD11 ' A' ' 68' ' ' LEU . 52.7 tp -135.98 144.77 45.55 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.411 1.085 . . . . 51.130000000000003 108.189 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.3 tp -141.93 113.53 7.8 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 106.725 -1.583 . . . . 64.219999999999999 106.725 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.431 ' HB2' HD22 ' A' ' 90' ' ' LEU . 1.1 pp -117.67 135.8 53.76 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.542 0.687 . . . . 74.219999999999999 111.306 -174.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 9' ' ' THR . 42.4 tp60 -137.8 139.83 40.22 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.795 1.638 . . . . 72.120000000000005 108.034 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.445 ' N ' HD11 ' A' ' 90' ' ' LEU . 6.8 t70 -164.14 165.35 22.26 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 107.709 -1.219 . . . . 72.219999999999999 107.709 178.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -77.18 -25.73 52.17 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.045 0.45 . . . . 73.310000000000002 109.794 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -97.42 98.88 10.32 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.413 1.085 . . . . 73.530000000000001 109.476 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -77.33 -22.09 52.38 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.084 0.553 . . . . 71.209999999999994 111.728 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -61.68 -42.33 98.78 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 110.053 -0.351 . . . . 74.510000000000005 110.053 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.98 -30.51 66.78 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.665 -0.698 . . . . 64.329999999999998 111.076 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.445 HD11 ' N ' ' A' ' 84' ' ' ASP . 63.5 mt -64.57 -49.38 71.4 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.656 0.382 . . . . 64.549999999999997 111.473 177.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -78.49 -31.06 47.58 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.546 0.529 . . . . 72.340000000000003 112.074 -170.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.5 -36.22 73.67 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 109.712 -0.477 . . . . 70.310000000000002 109.712 178.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.513 ' O ' HG12 ' A' ' 97' ' ' ILE . 45.2 t80 -69.97 -46.77 64.52 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.57 0.748 . . . . 74.540000000000006 109.733 173.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -55.5 -49.29 72.97 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.764 1.226 . . . . 74.299999999999997 111.743 -176.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -60.42 -33.89 73.16 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.717 0.807 . . . . 72.019999999999996 111.742 -176.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -69.51 -42.3 74.9 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.18 0.592 . . . . 62.240000000000002 110.107 177.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 93' ' ' PHE . 37.3 mm -66.1 -37.4 79.7 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.371 0 CA-C-N 115.156 -0.929 . . . . 74.310000000000002 110.369 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -65.64 -38.32 89.05 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.803 0.841 . . . . 73.409999999999997 111.192 172.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.0 t -69.28 -18.05 63.81 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.889 0.876 . . . . 50.420000000000002 111.434 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.462 ' OE1' ' HE3' ' A' ' 65' ' ' LYS . 65.3 mt-30 -97.25 -2.51 42.56 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.105 0.962 . . . . 73.140000000000001 111.417 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.45 8.93 70.17 Favored Glycine 0 C--N 1.346 1.105 0 N-CA-C 114.272 0.469 . . . . 53.310000000000002 114.272 174.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.449 ' HB2' HG22 ' A' ' 97' ' ' ILE . 23.8 m-85 -84.55 136.12 33.93 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 117.278 0.539 . . . . 73.219999999999999 109.665 176.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -76.6 102.46 6.13 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.289 0.635 . . . . 74.230000000000004 109.35 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 p -118.53 137.81 51.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.344 0.658 . . . . 72.329999999999998 110.368 177.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -113.95 145.12 41.97 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 107.95 -1.13 . . . . 65.030000000000001 107.95 174.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -116.58 135.52 53.73 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.263 -0.643 . . . . 75.319999999999993 109.263 175.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.421 HG23 ' HB2' ' A' ' 83' ' ' GLN . 17.3 m -124.32 160.62 28.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 C-N-CA 123.983 0.913 . . . . 62.229999999999997 109.022 176.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.5 m -117.13 -4.14 11.47 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.54 0.736 . . . . 74.519999999999996 110.49 -176.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -148.8 160.26 43.38 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 121.43 0.633 . . . . 72.140000000000001 112.091 -172.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -50.04 -59.04 4.28 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.43 1.892 . . . . 61.439999999999998 112.458 175.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.51 -20.56 60.63 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.698 0.399 . . . . 75.040000000000006 112.016 -171.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.35 -46.68 79.24 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 110.112 -0.329 . . . . 74.239999999999995 110.112 170.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.1 -48.13 81.56 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.322 -0.854 . . . . 72.120000000000005 110.663 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.6 -41.01 89.32 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.536 0.734 . . . . 65.409999999999997 110.851 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -62.56 -53.15 59.03 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 115.464 -0.789 . . . . 73.319999999999993 111.39 -178.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 23.7 mt -66.88 -32.6 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 123.019 0.527 . . . . 53.049999999999997 111.517 -175.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 25.4 t -55.62 -48.44 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 123.536 0.734 . . . . 74.319999999999993 111.049 172.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 -73.9 -42.58 60.47 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.815 -0.63 . . . . 74.400000000000006 110.97 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -56.5 -44.54 80.82 Favored 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 123.726 0.81 . . . . 74.219999999999999 111.363 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -45.57 -45.26 13.51 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.678 1.191 . . . . 72.420000000000002 111.731 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.679 ' SD ' ' HG3' ' A' ' 25' ' ' GLN . 51.0 mtt -66.14 -26.43 67.43 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.371 -1.286 . . . . 71.430000000000007 112.622 -170.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 . . . . . 0 N--CA 1.483 1.181 0 C-N-CA 123.09 0.556 . . . . 72.409999999999997 110.658 173.685 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt . . . . . 0 C--O 1.237 0.421 0 CA-C-O 121.502 0.668 . . . . 73.319999999999993 109.341 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.413 ' H ' ' HB3' ' A' ' 53' ' ' LYS . 1.7 mp0 -128.6 144.47 51.16 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 114.086 -1.415 . . . . 55.229999999999997 107.506 177.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.521 ' HB2' HG21 ' A' ' 71' ' ' ILE . 4.2 mm? -125.24 112.14 16.06 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 107.863 -1.162 . . . . 72.099999999999994 107.863 175.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 tt -97.75 124.17 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 108.425 -0.954 . . . . 75.329999999999998 108.425 175.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mp -103.18 121.75 43.31 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 107.824 -1.176 . . . . 73.310000000000002 107.824 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.564 HG21 HD13 ' A' ' 18' ' ' ILE . 2.2 mp -98.86 138.97 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 108.063 -1.088 . . . . 62.119999999999997 108.063 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.629 ' HB2' HD11 ' A' ' 64' ' ' LEU . 7.7 t-20 -123.33 112.87 18.11 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 108.397 -0.964 . . . . 75.510000000000005 108.397 176.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.7 HG23 HG12 ' A' ' 15' ' ' ILE . 1.5 t -144.46 131.51 20.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.892 0.745 . . . . 64.400000000000006 109.097 175.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -102.55 13.2 35.13 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.192 -0.913 . . . . 73.519999999999996 110.765 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.429 ' O ' HG13 ' A' ' 15' ' ' ILE . 39.8 t30 -109.42 113.73 26.78 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.324 -0.991 . . . . 75.450000000000003 108.324 174.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.31 -39.71 80.08 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.633 1.173 . . . . 63.109999999999999 111.308 -174.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.16 -36.33 77.26 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.68 -1.146 . . . . 72.400000000000006 110.913 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 18' ' ' ILE . 26.1 tp -69.55 -37.61 77.11 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 118.923 -0.56 . . . . 73.120000000000005 110.185 177.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.7 HG12 HG23 ' A' ' 9' ' ' THR . 55.2 mt -53.91 -50.39 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 123.092 0.557 . . . . 72.109999999999999 110.452 177.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -64.43 -36.05 82.9 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.136 -0.938 . . . . 73.120000000000005 111.842 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 55.2 mtpt -65.96 -42.79 89.47 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 123.469 0.481 . . . . 75.230000000000004 110.548 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.564 HD13 HG21 ' A' ' 7' ' ' ILE . 87.4 mt -60.33 -43.91 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 124.07 0.856 . . . . 64.519999999999996 109.579 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.516 ' HE3' HG22 ' A' ' 15' ' ' ILE . 98.7 mttt -51.89 -42.9 63.06 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 123.827 0.704 . . . . 61.43 111.28 175.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -66.06 -44.26 85.03 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.393 0.677 . . . . 74.549999999999997 111.455 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 16.1 mm-40 -59.73 -44.13 93.89 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.554 0.742 . . . . 75.349999999999994 110.835 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 18' ' ' ILE . 94.0 t -68.25 -33.88 63.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.869 1.268 . . . . 72.319999999999993 111.343 -175.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.23 -26.87 62.19 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.187 0.595 . . . . 71.439999999999998 110.782 174.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -79.81 -21.19 44.56 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.382 0.673 . . . . 63.109999999999999 110.044 174.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 75.6 mm-40 -87.6 -18.63 29.24 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.387 0.675 . . . . 75.120000000000005 109.887 171.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.02 37.7 15.15 Favored Glycine 0 C--N 1.351 1.394 0 C-N-CA 123.515 0.578 . . . . 33.109999999999999 113.747 174.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.573 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 5.7 m-85 -107.6 163.0 13.45 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.858 0.863 . . . . 73.219999999999999 110.803 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.587 HE21 HG13 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -77.72 110.32 12.47 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 107.536 -1.283 . . . . 71.319999999999993 107.536 176.656 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -83.58 117.09 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.124 0.569 . . . . 70.310000000000002 109.57 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.8 mmm-85 -122.29 141.44 51.52 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 107.887 -1.153 . . . . 75.340000000000003 107.887 172.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -128.78 138.51 52.13 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.381 0.672 . . . . 74.519999999999996 109.194 171.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.595 HG11 ' HB3' ' A' ' 38' ' ' LEU . 51.2 t -123.31 124.67 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.175 1.39 . . . . 55.450000000000003 108.643 -175.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -123.64 9.75 8.99 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.003 0.521 . . . . 73.150000000000006 111.274 -178.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -158.91 154.89 26.69 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.51 0.724 . . . . 51.32 109.983 -175.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.2 p -68.29 -25.08 64.97 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.033 0.933 . . . . 75.349999999999994 113.173 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -84.11 -26.83 28.63 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 110.046 -0.353 . . . . 74.439999999999998 110.046 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -65.09 -36.11 83.27 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.408 0.683 . . . . 75.030000000000001 111.95 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.595 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.4 pp -75.92 -45.62 34.26 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.195 0.309 . . . . 74.120000000000005 110.945 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 17.4 ptpt -66.74 -33.75 76.32 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 122.698 0.399 . . . . 75.219999999999999 111.215 -172.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -69.69 -38.23 76.93 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.376 0.67 . . . . 74.230000000000004 111.345 -175.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -88.42 -25.29 22.73 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.299 0.64 . . . . 64.150000000000006 111.049 -177.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.464 ' SD ' HD12 ' A' ' 45' ' ' LEU . 14.6 mmt -62.96 -28.27 69.97 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 123.761 0.824 . . . . 62.399999999999999 111.592 172.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 28.1 mtpp -58.07 -49.19 77.78 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.64 0.776 . . . . 73.510000000000005 109.998 171.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -72.11 -27.9 62.94 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.121 -0.945 . . . . 71.120000000000005 111.546 -177.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.464 HD12 ' SD ' ' A' ' 42' ' ' MET . 88.4 mt -69.94 -38.81 76.28 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 122.487 0.315 . . . . 72.099999999999994 110.259 174.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.3 -39.78 85.99 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.86 0.864 . . . . 50.210000000000001 111.599 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -74.25 -55.63 5.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.637 0.775 . . . . 74.450000000000003 111.085 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -86.65 93.47 9.23 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.483 -0.78 . . . . 74.120000000000005 111.302 -171.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -105.01 3.21 30.34 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.278 1.031 . . . . 72.299999999999997 110.775 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -90.41 -2.59 57.96 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.808 0.843 . . . . 44.350000000000001 112.524 -170.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -124.21 171.41 9.87 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 122.818 0.447 . . . . 74.409999999999997 109.915 176.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.07 169.37 15.12 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.949 0.9 . . . . 54.420000000000002 112.894 -173.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.444 ' HD3' ' H ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -51.76 146.0 8.65 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 113.253 -1.794 . . . . 75.239999999999995 113.358 179.177 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.587 HG13 HE21 ' A' ' 28' ' ' GLN . 3.7 mp -115.52 148.77 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.9 1.28 . . . . 75.340000000000003 108.291 -174.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 tt -106.17 121.36 44.02 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.144 0.578 . . . . 73.400000000000006 109.641 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.4 mm -103.35 140.27 22.01 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 C-N-CA 124.203 1.001 . . . . 73.319999999999993 109.255 176.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.45 HG21 HG23 ' A' ' 15' ' ' ILE . 61.4 mt -117.32 149.24 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 N-CA-C 107.199 -1.408 . . . . 63.240000000000002 107.199 169.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.5 t -155.75 124.78 6.13 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 123.788 0.835 . . . . 72.239999999999995 109.1 176.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -67.88 -35.98 79.46 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.004 0.921 . . . . 72.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -94.93 142.02 27.96 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.73 0.812 . . . . 64.420000000000002 111.327 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HA ' HD12 ' A' ' 64' ' ' LEU . 56.2 mttp -86.08 -27.98 24.36 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.321 1.048 . . . . 61.329999999999998 112.505 -173.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -73.8 -29.19 62.03 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.981 -0.377 . . . . 75.340000000000003 109.981 177.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.6 mt -66.76 -39.92 88.07 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.052 0.541 . . . . 73.329999999999998 109.966 173.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 8' ' ' ASN . 90.0 mt -55.38 -54.47 43.27 Favored 'General case' 0 C--N 1.362 1.13 0 O-C-N 124.271 0.982 . . . . 72.409999999999997 110.408 176.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -56.33 -43.86 79.45 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 124.648 1.218 . . . . 72.540000000000006 111.464 -172.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -59.74 -50.93 71.91 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.899 -0.592 . . . . 72.209999999999994 111.528 173.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.74 -37.76 88.57 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.521 0.563 . . . . 71.340000000000003 112.521 -177.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 65.3 mt -57.15 -36.9 71.3 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.709 0.804 . . . . 75.310000000000002 110.636 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -74.37 -41.42 61.04 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.19 -0.914 . . . . 74.420000000000002 111.52 177.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.55 -52.12 66.53 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.39 0.676 . . . . 71.120000000000005 110.816 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.521 HG21 ' HB2' ' A' ' 4' ' ' LEU . 54.9 mt -64.45 -32.86 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 124.389 1.076 . . . . 63.009999999999998 110.904 -177.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.9 t -65.94 -45.99 79.78 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.066 -0.97 . . . . 60.310000000000002 111.258 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.42 -22.1 57.66 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 119.804 -0.141 . . . . 72.409999999999997 111.053 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.3 mt -71.39 -25.76 62.5 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.991 0.516 . . . . 62.109999999999999 110.195 170.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.94 12.34 55.49 Favored Glycine 0 C--N 1.343 0.922 0 CA-C-N 116.052 -0.522 . . . . 41.119999999999997 113.262 172.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -85.74 158.94 19.9 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 109.868 -0.419 . . . . 63.32 109.868 175.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -74.27 117.03 15.61 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.899 -0.778 . . . . 74.439999999999998 108.899 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.1 t -90.45 124.55 43.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 C-N-CA 123.234 0.614 . . . . 75.329999999999998 109.406 -175.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -126.18 144.1 50.89 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 107.885 -1.154 . . . . 72.310000000000002 107.885 175.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.474 HD11 HD13 ' A' ' 64' ' ' LEU . 52.4 tp -136.1 142.71 44.32 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.651 -0.87 . . . . 73.409999999999997 108.651 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.9 tp -142.33 114.43 8.21 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 106.147 -1.797 . . . . 74.450000000000003 106.147 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.592 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 1.1 pp -127.44 145.03 50.97 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 112.15 0.426 . . . . 41.43 112.15 -169.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.56 ' HB3' HG23 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -141.68 148.96 39.94 Favored 'General case' 0 C--O 1.246 0.892 0 C-N-CA 123.884 0.874 . . . . 75.120000000000005 109.238 174.384 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -164.32 160.99 21.54 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 107.878 -1.156 . . . . 61.450000000000003 107.878 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -72.43 -31.22 65.3 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.661 0.384 . . . . 74.109999999999999 110.673 177.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -94.24 97.45 10.26 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.742 0.817 . . . . 74.230000000000004 109.12 170.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.18 -22.5 62.95 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.916 0.886 . . . . 72.409999999999997 111.236 -177.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -63.22 -27.49 69.39 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.706 0.802 . . . . 74.400000000000006 111.992 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -78.24 -33.25 49.86 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 120.845 0.355 . . . . 61.439999999999998 110.09 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.404 HD22 HD13 ' A' ' 82' ' ' LEU . 87.7 mt -67.97 -39.55 83.31 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.994 0.918 . . . . 62.340000000000003 111.907 -178.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -66.57 -39.1 88.3 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.583 0.353 . . . . 63.009999999999998 110.83 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 51.8 mm-40 -72.68 -39.65 66.91 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.5 0.72 . . . . 72.340000000000003 111.822 -176.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.486 ' O ' HG12 ' A' ' 97' ' ' ILE . 2.3 t80 -67.32 -47.04 71.7 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 109.545 -0.539 . . . . 73.209999999999994 109.545 176.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 27.2 ttpp -58.52 -50.31 74.23 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.911 0.885 . . . . 71.120000000000005 112.664 -176.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -62.58 -21.86 65.92 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 112.847 0.684 . . . . 73.140000000000001 112.847 -175.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 42.3 mmtm -68.53 -52.06 36.11 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 109.025 -0.731 . . . . 70.140000000000001 109.025 170.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 93' ' ' PHE . 29.3 mm -67.72 -35.77 73.77 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.216 0 CA-C-N 114.37 -1.286 . . . . 71.0 111.513 -170.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -55.43 -51.28 67.42 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 123.724 0.809 . . . . 74.549999999999997 111.299 170.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.0 t -64.67 -31.74 73.1 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.626 -1.17 . . . . 71.430000000000007 111.043 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -80.41 5.09 15.99 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.694 0.798 . . . . 60.409999999999997 111.763 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.53 0.29 82.23 Favored Glycine 0 C--N 1.355 1.634 0 C-N-CA 123.089 0.376 . . . . 74.430000000000007 114.016 169.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.451 ' HB2' HG22 ' A' ' 97' ' ' ILE . 6.0 m-85 -90.8 149.23 22.06 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 109.316 -0.624 . . . . 74.099999999999994 109.316 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -83.84 126.69 33.2 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.707 -0.849 . . . . 73.319999999999993 108.707 174.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.403 HG22 ' HG3' ' A' ' 94' ' ' LYS . 3.8 p -137.78 142.96 34.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 C-N-CA 123.245 0.618 . . . . 75.099999999999994 110.148 -176.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.514 ' HA ' ' HE ' ' A' ' 105' ' ' ARG . 1.6 mmp_? -130.66 126.99 38.0 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 124.07 0.948 . . . . 75.040000000000006 109.654 -174.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.535 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 25.6 ttmt -92.92 136.04 33.61 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.054 0.541 . . . . 72.319999999999993 110.147 174.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.56 HG23 ' HB3' ' A' ' 83' ' ' GLN . 34.1 m -140.22 171.86 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.303 1.041 . . . . 73.319999999999993 108.286 167.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.4 m -137.91 -38.48 0.57 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.371 0.669 . . . . 62.439999999999998 109.445 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.452 ' HB2' ' HG2' ' A' ' 112' ' ' GLU . 15.4 m-20 -83.09 156.63 23.21 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 115.631 -0.713 . . . . 52.350000000000001 111.499 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -54.45 -55.1 32.28 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 113.752 -1.567 . . . . 63.32 110.47 170.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -58.26 -40.83 82.85 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.679 -1.146 . . . . 71.299999999999997 111.862 -175.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.629 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 33.4 mm-40 -66.21 -35.78 81.33 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.758 0.823 . . . . 74.430000000000007 111.226 -177.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -65.35 -46.43 80.25 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.661 -0.7 . . . . 63.420000000000002 110.982 177.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.472 HD22 ' HG3' ' A' ' 21' ' ' GLU . 35.1 mt -67.68 -27.63 67.0 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.317 0.647 . . . . 54.009999999999998 111.334 -177.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.629 ' HD3' ' HA ' ' A' ' 112' ' ' GLU . 25.1 mtpp -65.22 -58.67 5.38 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.753 0.821 . . . . 74.209999999999994 111.002 176.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 14.8 mt -67.53 -23.34 29.72 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.223 0 N-CA-C 112.578 0.584 . . . . 75.219999999999999 112.578 -170.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 113' ' ' ALA . 70.0 t -48.46 -44.35 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 C-N-CA 123.215 0.606 . . . . 74.140000000000001 110.515 167.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -69.61 -46.33 66.52 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.409 0.684 . . . . 74.519999999999996 110.762 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.25 -35.02 71.12 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.086 0.555 . . . . 73.049999999999997 112.035 -177.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.644 ' HD2' ' SD ' ' A' ' 121' ' ' MET . 59.7 t80 -54.66 -47.03 74.07 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.223 0.609 . . . . 74.209999999999994 111.308 171.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.644 ' SD ' ' HD2' ' A' ' 120' ' ' PHE . 8.8 mmt -58.22 -29.79 65.98 Favored 'General case' 0 N--CA 1.483 1.175 0 O-C-N 124.369 1.043 . . . . 74.430000000000007 112.401 -171.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 . . . . . 0 CA--C 1.558 1.28 0 C-N-CA 123.356 0.662 . . . . 73.409999999999997 112.17 177.652 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt . . . . . 0 N--CA 1.463 0.177 0 N-CA-C 106.417 -1.697 . . . . 73.019999999999996 106.417 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.624 ' HA ' ' HB3' ' A' ' 77' ' ' LYS . 3.9 mm-40 -82.04 141.51 33.13 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.137 0.575 . . . . 53.240000000000002 111.252 -163.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -126.91 114.49 17.94 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.077 0.551 . . . . 71.019999999999996 110.025 -176.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.8 tt -108.43 125.05 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.733 0.813 . . . . 74.150000000000006 109.213 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -110.09 118.63 36.9 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 108.287 -1.005 . . . . 74.109999999999999 108.287 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.45 HG21 HD13 ' A' ' 18' ' ' ILE . 2.6 mp -98.72 127.24 51.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 108.746 -0.835 . . . . 72.430000000000007 108.746 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.525 ' HB3' ' HA ' ' A' ' 82' ' ' LEU . 4.8 t-20 -101.83 112.59 25.25 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 106.964 -1.495 . . . . 74.219999999999999 106.964 173.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.522 HG23 HG12 ' A' ' 15' ' ' ILE . 1.7 t -144.15 119.43 10.2 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.401 0.619 . . . . 44.109999999999999 109.967 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -92.89 7.35 44.27 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 114.891 -1.049 . . . . 71.510000000000005 110.421 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.497 ' ND2' ' HB2' ' A' ' 14' ' ' LEU . 42.1 t30 -104.65 107.23 18.07 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.797 0.839 . . . . 63.0 109.302 178.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -60.86 -44.45 96.99 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.09 0.956 . . . . 65.219999999999999 112.682 -171.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -32.46 74.14 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 123.446 0.466 . . . . 74.109999999999999 110.553 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.497 ' HB2' ' ND2' ' A' ' 11' ' ' ASN . 32.9 tp -68.18 -42.88 79.29 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 123.442 0.464 . . . . 60.329999999999998 110.249 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.534 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 54.0 mt -52.75 -46.53 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 124.289 0.993 . . . . 74.040000000000006 110.274 178.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -59.49 -46.72 87.99 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 124.356 1.035 . . . . 74.140000000000001 110.51 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 43.8 mtpt -64.19 -40.08 95.35 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 114.811 -1.086 . . . . 72.420000000000002 111.594 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.527 ' O ' HG23 ' A' ' 22' ' ' VAL . 96.1 mt -60.41 -48.38 88.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 O-C-N 123.833 0.708 . . . . 74.209999999999994 109.28 178.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.61 ' HG2' HG11 ' A' ' 29' ' ' VAL . 86.3 mttt -52.52 -46.87 66.88 Favored 'General case' 0 C--N 1.359 0.994 0 O-C-N 124.144 0.902 . . . . 73.439999999999998 111.071 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -64.4 -41.45 96.65 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 124.257 0.973 . . . . 72.129999999999995 111.5 -177.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 31.2 mm-40 -63.72 -45.54 89.48 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.13 0.491 . . . . 75.239999999999995 111.459 177.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 18' ' ' ILE . 98.1 t -71.18 -36.08 60.96 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 124.193 0.997 . . . . 74.129999999999995 111.365 -173.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.88 -27.64 63.97 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.352 0.661 . . . . 73.340000000000003 110.986 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -69.84 -34.87 74.21 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.903 0.481 . . . . 74.140000000000001 110.056 172.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 12.0 mm-40 -79.75 -22.2 43.54 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.183 0.593 . . . . 71.25 110.711 178.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.8 36.85 7.1 Favored Glycine 0 C--N 1.348 1.247 0 CA-C-N 116.366 -0.379 . . . . 64.230000000000004 113.797 174.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.452 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 0.7 OUTLIER -107.2 154.98 20.41 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 108.543 -0.91 . . . . 52.200000000000003 108.543 174.59 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.464 ' HB2' HG23 ' A' ' 54' ' ' ILE . 1.8 mp0 -79.61 113.87 18.1 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.982 -0.747 . . . . 75.140000000000001 108.982 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.61 HG11 ' HG2' ' A' ' 19' ' ' LYS . 21.6 t -88.75 104.5 14.87 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 N-CA-C 109.788 -0.449 . . . . 74.530000000000001 109.788 177.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.75 104.84 12.36 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 107.803 -1.184 . . . . 61.539999999999999 107.803 176.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -100.1 144.44 29.13 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 109.511 -0.552 . . . . 52.520000000000003 109.511 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.494 HG11 ' HB3' ' A' ' 38' ' ' LEU . 98.5 t -115.63 120.9 66.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 124.124 0.97 . . . . 74.239999999999995 109.766 -173.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -114.6 -8.56 12.71 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.727 0.811 . . . . 75.310000000000002 109.958 174.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -138.3 151.01 47.19 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.632 0.773 . . . . 73.319999999999993 111.176 -169.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.0 p -65.94 -35.27 80.15 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.759 1.224 . . . . 71.109999999999999 113.047 -177.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.486 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 19.1 m-20 -87.89 -20.14 26.4 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.171 0.588 . . . . 63.210000000000001 109.812 -175.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.511 ' HA ' ' HE3' ' A' ' 40' ' ' LYS . 4.7 tp10 -68.12 -42.66 79.88 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.526 1.13 . . . . 73.540000000000006 110.753 172.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.494 ' HB3' HG11 ' A' ' 32' ' ' VAL . 2.4 pp -64.13 -43.26 95.8 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-N 117.832 0.287 . . . . 72.040000000000006 110.494 -175.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.486 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 18.6 ptpt -68.61 -34.31 75.54 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.135 0.574 . . . . 73.219999999999999 111.562 -171.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.511 ' HE3' ' HA ' ' A' ' 37' ' ' GLU . 20.6 pttp -77.74 -30.04 51.39 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.307 -0.406 . . . . 73.340000000000003 110.554 -176.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -82.4 -25.48 33.69 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.829 0.452 . . . . 71.230000000000004 111.579 176.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 31.4 mmt -65.77 -33.13 75.17 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.572 0.349 . . . . 71.430000000000007 110.322 170.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 27.2 mtpp -68.13 -42.04 80.77 Favored 'General case' 0 C--O 1.207 -1.134 0 CA-C-N 116.028 -0.533 . . . . 71.349999999999994 109.981 173.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -52.7 -34.19 51.12 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 123.532 0.733 . . . . 71.349999999999994 112.521 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.6 mt -67.26 -37.1 82.92 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.155 0.582 . . . . 74.209999999999994 111.415 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.94 -54.27 5.46 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.05 0.94 . . . . 71.129999999999995 111.495 -176.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 12.0 mm-40 -60.81 -44.98 96.15 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.11 0.964 . . . . 74.420000000000002 110.329 -175.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -95.49 114.5 26.27 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 107.671 -1.233 . . . . 74.150000000000006 107.671 175.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -104.45 -49.35 3.58 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.555 0.342 . . . . 62.350000000000001 111.812 -174.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -74.22 -14.22 60.9 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 113.434 0.901 . . . . 42.439999999999998 113.434 -165.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -73.25 153.67 40.52 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 117.987 0.358 . . . . 74.209999999999994 110.051 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.52 171.16 2.7 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.933 0.893 . . . . 73.140000000000001 111.942 -177.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -63.5 147.74 50.55 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.305 -0.861 . . . . 71.319999999999993 112.364 -173.569 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.464 HG23 ' HB2' ' A' ' 28' ' ' GLN . 3.8 mp -111.17 145.07 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 114.82 -1.082 . . . . 72.030000000000001 109.638 -166.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.413 HD22 HG21 ' A' ' 22' ' ' VAL . 2.3 tt -107.72 113.73 27.19 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.519 0.727 . . . . 70.329999999999998 109.093 173.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.6 mm -96.56 139.18 19.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 108.422 -0.955 . . . . 64.5 108.422 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.6 mt -119.31 152.85 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 107.508 -1.293 . . . . 51.509999999999998 107.508 167.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.2 t -150.93 151.27 31.92 Favored 'General case' 0 C--O 1.244 0.777 0 C-N-CA 123.135 0.574 . . . . 75.25 109.919 172.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -72.68 -62.15 1.55 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 114.849 -1.068 . . . . 72.019999999999996 110.089 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -102.45 152.25 21.35 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.195 -0.911 . . . . 71.109999999999999 110.344 -169.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.569 ' HA ' HD12 ' A' ' 64' ' ' LEU . 64.2 mttp -74.81 -16.75 60.69 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.949 0.9 . . . . 64.409999999999997 113.18 -175.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -71.01 -37.68 72.65 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.91 0.386 . . . . 73.349999999999994 110.421 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.48 HD13 HG12 ' A' ' 32' ' ' VAL . 44.5 mt -67.73 -41.15 83.91 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 115.234 -0.894 . . . . 41.43 108.718 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.608 HD13 HD11 ' A' ' 80' ' ' LEU . 94.8 mt -56.66 -53.21 60.31 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 114.365 -1.289 . . . . 44.149999999999999 111.174 175.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -50.47 -48.17 56.72 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 124.447 1.092 . . . . 72.540000000000006 111.628 -173.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -61.45 -51.69 67.66 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 123.999 0.812 . . . . 74.430000000000007 111.354 175.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 79.0 mtm -61.87 -39.64 92.6 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 123.559 0.537 . . . . 74.109999999999999 112.445 -174.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 64.5 mt -56.75 -40.1 75.18 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.148 0.979 . . . . 75.129999999999995 111.574 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.74 -32.13 41.07 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 114.992 -1.004 . . . . 65.109999999999999 111.006 -176.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 97.2 mt -69.53 -42.65 74.37 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.919 -0.582 . . . . 64.340000000000003 110.512 176.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.473 HG23 ' HB2' ' A' ' 76' ' ' TYR . 96.7 mt -65.47 -33.3 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.928 0.891 . . . . 64.150000000000006 110.465 175.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.3 t -66.0 -43.69 86.99 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.317 -0.856 . . . . 71.310000000000002 111.107 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -20.05 59.1 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 111.361 0.134 . . . . 63.32 111.361 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 95.6 mt -74.07 -30.03 62.18 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 109.446 -0.575 . . . . 71.310000000000002 109.446 171.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.94 17.31 30.5 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.331 -0.849 . . . . 54.119999999999997 112.57 174.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.473 ' HB2' HG23 ' A' ' 71' ' ' ILE . 20.3 m-85 -88.07 166.88 14.12 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.458 0.703 . . . . 71.129999999999995 110.748 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.624 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -67.05 114.44 5.83 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.09 -0.959 . . . . 61.409999999999997 109.398 174.628 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.7 t -90.55 106.5 17.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 108.38 -0.97 . . . . 74.310000000000002 108.38 174.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -119.48 134.78 55.06 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 106.492 -1.67 . . . . 74.150000000000006 106.492 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.608 HD11 HD13 ' A' ' 64' ' ' LEU . 58.9 tp -133.95 102.45 5.43 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 109.434 -0.58 . . . . 72.030000000000001 109.434 -176.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.2 tp -94.08 112.27 24.08 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 107.753 -1.203 . . . . 74.400000000000006 107.753 172.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.525 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 0.8 OUTLIER -113.03 137.33 51.58 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.19 0.45 . . . . 61.130000000000003 110.853 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.59 133.69 29.44 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 123.794 0.838 . . . . 73.420000000000002 109.441 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.438 ' H ' HD11 ' A' ' 90' ' ' LEU . 3.5 m-20 -154.8 164.41 38.85 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 124.986 1.314 . . . . 50.210000000000001 108.246 174.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -81.31 -13.33 58.52 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.539 -0.755 . . . . 63.310000000000002 110.143 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -108.17 116.39 31.87 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.768 0.827 . . . . 71.409999999999997 108.85 170.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.472 ' HG3' ' HD3' ' A' ' 106' ' ' LYS . 43.1 tt0 -77.27 -23.65 51.16 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.958 0.903 . . . . 75.230000000000004 111.663 -177.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -64.2 -40.11 95.4 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 122.699 0.4 . . . . 71.230000000000004 110.193 -176.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.63 -37.03 79.41 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.089 0.956 . . . . 72.040000000000006 110.949 176.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.438 HD11 ' H ' ' A' ' 84' ' ' ASP . 92.7 mt -62.59 -47.13 85.16 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.883 -0.598 . . . . 63.009999999999998 111.111 177.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.411 ' HB3' ' NZ ' ' A' ' 106' ' ' LYS . 12.8 pt-20 -82.17 -28.62 31.98 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 118.701 -0.666 . . . . 75.530000000000001 112.466 -170.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.67 -42.02 74.74 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 118.314 0.506 . . . . 61.43 110.163 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.472 ' O ' HG12 ' A' ' 97' ' ' ILE . 41.8 t80 -73.25 -43.25 61.47 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 115.898 -0.592 . . . . 55.409999999999997 109.788 177.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 56.3 tttp -56.6 -47.11 80.31 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 118.98 -0.533 . . . . 73.140000000000001 111.612 178.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -68.02 -26.13 65.73 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 123.276 0.36 . . . . 73.209999999999994 111.866 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.456 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -66.38 -48.28 70.65 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.354 -0.61 . . . . 73.109999999999999 109.354 170.005 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 93' ' ' PHE . 47.7 mm -67.88 -28.64 42.14 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.163 0 C-N-CA 124.07 0.948 . . . . 74.010000000000005 111.808 -177.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 63.4 mm-40 -58.38 -47.87 82.47 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.817 0.847 . . . . 70.140000000000001 110.18 167.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.1 t -70.05 -30.87 68.25 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.096 -0.956 . . . . 61.329999999999998 110.995 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 87.7 mm-40 -75.91 -20.82 57.7 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.651 0.78 . . . . 74.219999999999999 110.317 176.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.79 39.82 10.12 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 123.498 0.499 . . . . 72.010000000000005 113.6 173.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -114.34 149.8 35.5 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.272 -0.64 . . . . 72.150000000000006 109.272 174.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -67.77 116.15 8.13 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.547 0.739 . . . . 73.510000000000005 109.419 175.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.2 p -137.18 126.21 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 123.333 0.653 . . . . 75.209999999999994 110.935 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -110.97 144.03 40.71 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.206 1.003 . . . . 72.349999999999994 109.238 177.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.474 ' HA ' HD12 ' A' ' 82' ' ' LEU . 32.1 ttmt -111.8 141.44 45.43 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.222 0.609 . . . . 73.549999999999997 110.492 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.1 m -144.71 125.59 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.117 0.967 . . . . 64.409999999999997 108.897 168.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.5 m -77.75 -29.77 51.23 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 121.532 0.682 . . . . 64.209999999999994 109.658 172.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -83.5 135.89 34.49 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 114.993 -1.003 . . . . 54.520000000000003 110.224 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.13 -35.31 74.0 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.025 0.93 . . . . 70.120000000000005 111.317 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.7 -34.67 74.23 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.333 0.653 . . . . 73.219999999999999 111.126 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -74.56 -23.85 58.84 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.213 0.605 . . . . 74.340000000000003 111.093 177.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.99 97.89 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.533 0.521 . . . . 74.420000000000002 110.319 171.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.472 ' O ' ' HD3' ' A' ' 118' ' ' ARG . 96.1 mt -61.76 -42.19 98.66 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 115.897 -0.592 . . . . 73.129999999999995 109.99 175.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -58.46 -48.58 80.28 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.293 0.637 . . . . 73.049999999999997 111.361 -176.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.4 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 37.2 mt -71.89 -25.51 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 O-C-N 123.643 0.589 . . . . 61.329999999999998 111.608 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 38.0 t -59.19 -48.84 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 122.601 0.36 . . . . 74.219999999999999 110.077 170.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.472 ' HD3' ' O ' ' A' ' 114' ' ' LEU . 1.1 mpt_? -69.04 -37.18 78.45 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 116.544 -0.298 . . . . 75.439999999999998 110.78 177.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.4 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 44.2 mt-10 -60.63 -38.02 83.39 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 119.071 -0.49 . . . . 60.409999999999997 111.571 175.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -57.27 -31.43 65.59 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.504 0.322 . . . . 75.230000000000004 111.021 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.434 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 14.7 mmt -62.45 -26.96 68.79 Favored 'General case' 0 CA--C 1.559 1.327 0 C-N-CA 122.899 0.48 . . . . 62.039999999999999 111.805 -178.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 . . . . . 0 N--CA 1.492 1.668 0 C-N-CA 123.255 0.622 . . . . 61.140000000000001 111.959 173.192 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.386 -0.598 . . . . 74.349999999999994 109.386 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.63 ' HG3' ' HB3' ' A' ' 77' ' ' LYS . 14.5 mp0 -124.03 149.38 46.14 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.921 0.889 . . . . 62.130000000000003 109.16 174.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.494 ' HB2' HG21 ' A' ' 71' ' ' ILE . 4.2 mm? -128.62 112.55 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.512 -0.921 . . . . 73.0 108.512 175.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.4 tt -97.89 122.06 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 108.632 -0.877 . . . . 42.229999999999997 108.632 174.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.474 ' HB3' HD22 ' A' ' 64' ' ' LEU . 6.1 mp -105.63 121.36 43.83 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.314 -0.995 . . . . 75.299999999999997 108.314 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.683 HG21 HD13 ' A' ' 18' ' ' ILE . 2.2 mp -98.78 138.41 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 108.859 -0.793 . . . . 73.230000000000004 108.859 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.591 ' HB2' HD11 ' A' ' 64' ' ' LEU . 3.9 t-20 -125.62 129.46 49.68 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 107.176 -1.416 . . . . 75.430000000000007 107.176 171.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -146.64 145.0 29.9 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 122.714 0.405 . . . . 61.140000000000001 111.045 -176.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.41 ' HB2' ' HA ' ' A' ' 84' ' ' ASP . 24.2 t-20 -82.38 -27.12 32.3 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.198 0.999 . . . . 74.129999999999995 110.816 176.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.413 HD22 ' HB2' ' A' ' 14' ' ' LEU . 49.0 t30 -100.97 119.12 38.26 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.644 0.778 . . . . 61.329999999999998 110.974 -170.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -68.65 -33.66 74.38 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.908 0.883 . . . . 53.140000000000001 111.465 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -63.34 -35.71 81.27 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.569 0.748 . . . . 72.340000000000003 109.91 176.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.559 HD13 ' HB3' ' A' ' 110' ' ' ASP . 45.2 tp -70.37 -41.33 73.25 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.527 -0.749 . . . . 62.399999999999999 110.236 177.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.535 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 61.0 mt -50.83 -44.91 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 124.007 0.817 . . . . 75.209999999999994 110.428 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -61.07 -48.02 83.67 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 124.242 0.964 . . . . 75.230000000000004 110.844 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.612 ' HE2' HD11 ' A' ' 114' ' ' LEU . 51.7 mtpt -62.52 -37.19 85.1 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.059 0.944 . . . . 54.130000000000003 111.717 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.683 HD13 HG21 ' A' ' 7' ' ' ILE . 95.1 mt -63.08 -48.51 87.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 123.809 0.844 . . . . 73.5 109.054 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 94.5 mttt -50.86 -43.28 59.31 Favored 'General case' 0 C--N 1.361 1.106 0 O-C-N 124.507 1.13 . . . . 61.030000000000001 110.736 178.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -71.77 -31.7 66.9 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.058 -0.974 . . . . 54.039999999999999 111.814 -177.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.529 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 24.8 mm-40 -66.09 -37.52 85.98 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.645 0.378 . . . . 70.140000000000001 110.243 172.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.648 HG21 HD22 ' A' ' 55' ' ' LEU . 20.9 t -70.93 -29.4 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.659 0.784 . . . . 72.409999999999997 110.201 178.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 18.2 mm-40 -67.05 -36.43 82.04 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.284 0.633 . . . . 75.239999999999995 109.994 173.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -65.58 -29.02 69.57 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.196 0.599 . . . . 74.200000000000003 110.409 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 51.2 mm-40 -94.08 -19.92 20.4 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.33 0.652 . . . . 75.519999999999996 111.31 -177.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.44 30.09 50.68 Favored Glycine 0 CA--C 1.532 1.144 0 N-CA-C 114.044 0.378 . . . . 64.049999999999997 114.044 178.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.416 ' OH ' ' HE2' ' A' ' 53' ' ' LYS . 2.2 m-30 -99.59 168.41 9.97 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.34 0.656 . . . . 65.349999999999994 109.888 178.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -83.5 114.67 21.65 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.255 0.622 . . . . 73.010000000000005 109.936 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.419 HG11 ' HG2' ' A' ' 19' ' ' LYS . 45.2 t -79.22 109.99 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 109.566 -0.531 . . . . 74.430000000000007 109.566 172.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -120.34 106.71 12.13 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 108.703 -0.851 . . . . 74.25 108.703 172.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -102.86 140.32 37.29 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.419 0.688 . . . . 54.210000000000001 109.403 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.56 HG11 ' HB3' ' A' ' 38' ' ' LEU . 75.8 t -134.6 122.39 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.352 1.061 . . . . 64.140000000000001 109.093 -173.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -121.77 9.71 10.15 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.08 0.952 . . . . 74.239999999999995 109.923 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -145.33 144.35 30.67 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.437 0.695 . . . . 73.140000000000001 110.387 -170.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.0 m -67.46 -30.19 69.84 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.093 0.957 . . . . 51.109999999999999 112.849 -174.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 28.8 t70 -78.27 -32.33 49.49 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.115 0.566 . . . . 73.230000000000004 110.458 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 32.6 mm-40 -66.79 -38.12 85.9 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 112.232 0.456 . . . . 74.409999999999997 112.232 -178.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.56 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.7 pp -65.47 -39.72 92.29 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 111.756 0.28 . . . . 62.450000000000003 111.756 -175.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 17.7 ptpt -70.24 -26.92 64.06 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 123.349 0.406 . . . . 74.129999999999995 110.045 -176.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.472 ' HD3' ' HA ' ' A' ' 37' ' ' GLU . 53.5 mtpt -70.81 -39.97 72.76 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.252 1.021 . . . . 64.340000000000003 110.897 173.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 6.2 mm-40 -68.0 -41.31 82.45 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.947 0.499 . . . . 71.549999999999997 110.707 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.7 mmt -58.82 -38.51 78.82 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 123.731 0.644 . . . . 72.430000000000007 110.75 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 98.6 mttt -60.58 -45.41 94.03 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 123.977 0.798 . . . . 74.140000000000001 110.267 177.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -69.31 -22.71 63.77 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.011 0.745 . . . . 63.409999999999997 113.011 -176.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.2 mt -70.21 -34.71 73.25 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 122.903 0.481 . . . . 74.230000000000004 111.299 175.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.67 -43.14 14.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.201 0.601 . . . . 52.43 110.695 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -59.35 -48.34 82.02 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.164 0.986 . . . . 75.25 110.379 176.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -108.22 99.98 9.34 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.98 0.912 . . . . 74.230000000000004 108.779 177.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -105.41 -31.27 9.1 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.619 0.768 . . . . 64.349999999999994 111.513 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -85.59 71.72 10.7 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.732 0.813 . . . . 63.039999999999999 111.487 -165.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.411 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 1.3 p90 -175.45 -178.02 1.08 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.743 1.217 . . . . 71.049999999999997 109.732 175.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.29 -175.32 0.34 Allowed 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.624 0.726 . . . . 73.109999999999999 111.778 175.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.555 ' HD3' ' H ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -93.37 154.2 18.1 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.561 -0.745 . . . . 61.509999999999998 111.649 -168.535 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 54' ' ' ILE . 3.7 mp -107.84 141.69 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 114.44 -1.255 . . . . 53.530000000000001 109.348 -168.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.648 HD22 HG21 ' A' ' 22' ' ' VAL . 6.5 tt -103.11 117.45 34.59 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.336 0.654 . . . . 64.439999999999998 109.311 177.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.1 mm -98.68 139.63 20.17 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 124.108 0.963 . . . . 74.319999999999993 109.319 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.1 mt -120.18 141.68 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 N-CA-C 107.48 -1.304 . . . . 74.319999999999993 107.48 168.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.7 t -156.89 137.96 13.59 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.666 0.786 . . . . 62.310000000000002 109.849 172.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -96.16 13.67 26.55 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.607 0.763 . . . . 61.0 112.33 -171.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -139.48 134.17 31.91 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.855 0.462 . . . . 73.209999999999994 110.188 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.586 ' HA ' HD12 ' A' ' 64' ' ' LEU . 70.9 mttt -72.14 -26.75 62.23 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.197 0.999 . . . . 74.150000000000006 112.426 -172.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -76.7 -31.85 57.48 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 110.142 -0.318 . . . . 52.32 110.142 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.3 mt -68.24 -46.04 71.58 Favored 'General case' 0 C--N 1.356 0.869 0 N-CA-C 108.965 -0.754 . . . . 61.32 108.965 174.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.591 HD11 ' HB2' ' A' ' 8' ' ' ASN . 91.9 mt -53.5 -52.36 59.84 Favored 'General case' 0 C--N 1.363 1.168 0 CA-C-N 114.562 -1.199 . . . . 51.310000000000002 110.062 174.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 14.6 tppt? -57.83 -48.62 79.22 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.351 1.06 . . . . 72.510000000000005 111.301 -174.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -55.22 -48.07 74.42 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 123.872 0.732 . . . . 63.009999999999998 110.811 177.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 78.9 mtm -63.84 -44.67 92.5 Favored 'General case' 0 CA--C 1.55 0.949 0 O-C-N 123.835 0.71 . . . . 64.010000000000005 111.731 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 83.6 mt -54.3 -39.92 67.44 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 124.371 1.068 . . . . 74.219999999999999 111.437 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 13.9 mm-40 -73.14 -42.94 62.3 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.862 0.726 . . . . 73.400000000000006 110.812 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 98.8 mt -64.22 -42.69 96.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.006 0.522 . . . . 54.409999999999997 111.662 -178.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.494 HG21 ' HB2' ' A' ' 4' ' ' LEU . 49.5 mt -66.97 -32.62 58.83 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 124.194 0.998 . . . . 74.209999999999994 110.472 177.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.4 t -65.05 -42.99 93.77 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.98 0.912 . . . . 45.509999999999998 110.774 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -16.22 43.19 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.743 0.417 . . . . 73.209999999999994 111.435 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.5 mt -71.92 -27.24 62.68 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 109.482 -0.562 . . . . 75.0 109.482 168.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.68 12.42 55.71 Favored Glycine 0 C--N 1.346 1.107 0 CA-C-N 115.714 -0.676 . . . . 71.140000000000001 112.698 174.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -83.4 156.36 23.0 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 123.273 0.629 . . . . 73.129999999999995 109.698 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.63 ' HB3' ' HG3' ' A' ' 3' ' ' GLU . 7.4 ttpm? -83.48 118.33 23.68 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.656 -0.868 . . . . 72.230000000000004 108.656 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.403 HG22 HG22 ' A' ' 71' ' ' ILE . 20.5 t -92.62 137.78 21.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 115.405 -0.816 . . . . 71.150000000000006 110.745 -169.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -132.36 141.54 48.96 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 107.151 -1.426 . . . . 64.010000000000005 107.151 174.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.8 tp -131.22 142.08 50.12 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 107.861 -1.163 . . . . 64.25 107.861 174.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.6 tp -142.29 113.78 7.83 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 106.848 -1.538 . . . . 75.519999999999996 106.848 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.414 HD13 ' HD2' ' A' ' 93' ' ' PHE . 2.0 pt? -126.64 143.73 51.13 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.009 0.433 . . . . 63.329999999999998 111.183 -176.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.9 149.62 33.6 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.731 1.212 . . . . 64.239999999999995 108.388 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.46 ' HB2' HD21 ' A' ' 90' ' ' LEU . 8.5 t70 -163.96 170.81 16.15 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 107.405 -1.331 . . . . 72.420000000000002 107.405 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -76.93 -17.54 58.84 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.72 0.408 . . . . 71.019999999999996 110.618 174.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -113.6 123.98 51.25 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.303 0.641 . . . . 54.439999999999998 109.673 175.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.449 ' HA ' HD12 ' A' ' 90' ' ' LEU . 42.4 tt0 -79.2 -24.88 42.86 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.642 0.777 . . . . 74.349999999999994 111.772 -175.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.447 ' HA ' ' HG2' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -67.04 -39.63 87.0 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 118.115 0.416 . . . . 63.43 110.765 -179.027 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -58.07 -33.7 69.34 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.801 0.84 . . . . 60.25 112.106 174.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' ' 84' ' ' ASP . 76.5 mt -81.83 -51.03 8.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.844 -1.071 . . . . 63.140000000000001 111.634 -175.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.447 ' HG2' ' HA ' ' A' ' 88' ' ' ASN . 13.0 pt-20 -65.89 -30.41 71.01 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.978 0.799 . . . . 64.140000000000001 111.172 -171.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.48 -38.89 65.24 Favored 'General case' 0 C--N 1.358 0.937 0 O-C-N 123.624 0.577 . . . . 74.129999999999995 110.999 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.537 ' O ' HG12 ' A' ' 97' ' ' ILE . 11.7 t80 -71.62 -48.5 47.58 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 108.877 -0.786 . . . . 63.509999999999998 108.877 175.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -54.79 -49.68 70.37 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.687 1.195 . . . . 61.409999999999997 112.145 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -25.99 68.26 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 123.758 0.661 . . . . 71.0 111.709 -175.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -72.4 -47.72 47.08 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.869 0.467 . . . . 62.119999999999997 110.002 172.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.537 HG12 ' O ' ' A' ' 93' ' ' PHE . 50.8 mm -65.04 -38.07 81.85 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 C-N-CA 123.972 0.909 . . . . 73.049999999999997 111.348 -173.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -30.52 65.99 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.657 0.383 . . . . 71.409999999999997 111.364 174.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.5 m -70.22 -25.26 63.31 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.54 0.336 . . . . 61.039999999999999 110.966 173.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -93.75 9.53 36.72 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.958 0.903 . . . . 73.420000000000002 112.035 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.35 23.01 66.4 Favored Glycine 0 C--N 1.352 1.428 0 N-CA-C 114.235 0.454 . . . . 35.310000000000002 114.235 170.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.463 ' HB2' HG22 ' A' ' 97' ' ' ILE . 64.7 m-85 -101.6 150.58 22.94 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.002 0.521 . . . . 64.129999999999995 109.75 174.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -77.54 121.64 24.16 Favored 'General case' 0 C--N 1.347 0.478 0 N-CA-C 108.142 -1.058 . . . . 73.540000000000006 108.142 169.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.0 138.88 43.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 123.342 0.657 . . . . 74.5 110.24 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -129.07 122.97 31.08 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.898 0.879 . . . . 60.219999999999999 109.122 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.96 126.78 51.34 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.084 0.953 . . . . 60.210000000000001 108.967 177.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.4 m -130.02 179.03 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 123.984 0.914 . . . . 75.099999999999994 108.604 172.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.5 m -137.22 -38.6 0.61 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.888 -0.782 . . . . 75.120000000000005 108.888 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.472 ' HB3' ' HG2' ' A' ' 111' ' ' GLU . 11.4 m-20 -72.3 137.19 46.53 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.532 -0.758 . . . . 74.510000000000005 109.74 176.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.559 ' HB3' HD13 ' A' ' 14' ' ' LEU . 6.4 m-20 -59.97 -36.63 77.55 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.496 1.119 . . . . 61.020000000000003 111.044 175.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' A' ' 109' ' ' ASP . 13.6 pt-20 -65.29 -45.02 86.09 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.852 0.861 . . . . 74.219999999999999 110.815 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -70.19 -23.91 63.04 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.666 0.386 . . . . 63.399999999999999 111.107 -178.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -68.18 -47.04 69.04 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.826 0.45 . . . . 72.510000000000005 110.523 173.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.612 HD11 ' HE2' ' A' ' 17' ' ' LYS . 83.2 mt -67.18 -29.96 69.78 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.35 0.66 . . . . 74.129999999999995 111.224 177.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -71.1 -38.21 72.36 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.237 1.015 . . . . 72.430000000000007 111.01 -176.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 20.5 mt -78.84 -22.62 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 C-N-CA 123.519 0.728 . . . . 43.229999999999997 111.504 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.466 ' O ' ' HG2' ' A' ' 121' ' ' MET . 88.3 t -50.62 -40.69 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 109.899 -0.408 . . . . 64.319999999999993 109.899 166.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -70.87 -42.49 69.98 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.224 0.609 . . . . 74.030000000000001 111.191 176.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -54.68 -40.92 69.59 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.0 0.92 . . . . 73.040000000000006 111.374 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -58.0 -45.42 86.88 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.058 0.543 . . . . 73.0 111.323 173.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 18.4 mmt -61.56 -21.68 64.51 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 112.974 0.731 . . . . 60.539999999999999 112.974 -172.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 . . . . . 0 N--CA 1.485 1.285 0 C-N-CA 122.468 0.307 . . . . 73.140000000000001 110.984 171.864 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 76' ' ' TYR . 21.0 pttm . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 107.313 -1.366 . . . . 74.319999999999993 107.313 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.59 ' HG2' ' HB3' ' A' ' 77' ' ' LYS . 22.5 mt-10 -71.01 154.66 41.62 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 118.796 0.725 . . . . 63.32 110.936 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.516 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.6 OUTLIER -136.46 110.82 8.47 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 108.452 -0.944 . . . . 53.420000000000002 108.452 -177.528 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.5 tt -104.43 135.99 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.457 0.703 . . . . 71.329999999999998 109.838 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mp -116.37 128.35 55.44 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.845 -1.169 . . . . 71.549999999999997 107.845 174.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 2.4 mp -105.51 142.88 17.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 108.006 -1.109 . . . . 74.319999999999993 108.006 175.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.682 ' HB2' HD11 ' A' ' 64' ' ' LEU . 4.7 t-20 -128.13 129.83 47.16 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 107.47 -1.307 . . . . 64.319999999999993 107.47 168.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.547 HG23 HG12 ' A' ' 15' ' ' ILE . 1.3 t -145.75 127.65 15.44 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.983 -0.747 . . . . 65.109999999999999 108.983 174.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.468 HD22 ' HG3' ' A' ' 85' ' ' GLN . 60.7 t30 -73.12 -28.52 62.31 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 114.893 -1.049 . . . . 65.129999999999995 109.696 175.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -75.95 111.02 10.89 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.76 1.224 . . . . 72.400000000000006 110.592 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.436 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 4.9 m-20 -59.7 -40.81 89.15 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 124.118 0.967 . . . . 71.450000000000003 111.509 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.82 -44.83 86.68 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 124.481 1.113 . . . . 73.209999999999994 110.206 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.546 HD22 ' HA ' ' A' ' 110' ' ' ASP . 35.9 tp -64.92 -38.65 91.68 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.626 -0.702 . . . . 65.420000000000002 110.997 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.547 HG12 HG23 ' A' ' 9' ' ' THR . 50.6 mt -53.39 -51.45 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 109.626 -0.509 . . . . 73.120000000000005 109.626 176.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 13.9 mmmm -56.42 -46.88 80.01 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 124.274 0.983 . . . . 71.310000000000002 111.05 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.403 ' HE2' HD11 ' A' ' 114' ' ' LEU . 59.1 mtpt -64.08 -46.77 82.81 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 114.793 -1.094 . . . . 74.040000000000006 111.388 -175.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 22' ' ' VAL . 64.9 mt -60.31 -49.05 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 124.074 0.859 . . . . 63.219999999999999 109.71 178.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 51.4 mtmt -54.22 -49.24 69.89 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 123.755 0.659 . . . . 51.439999999999998 111.343 -177.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -67.67 -35.17 78.36 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 123.563 0.54 . . . . 70.040000000000006 111.709 -177.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 71.8 mm-40 -58.59 -54.21 49.62 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-O 121.645 0.736 . . . . 62.020000000000003 110.369 173.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 18' ' ' ILE . 88.6 t -70.43 -30.28 42.26 Favored 'Isoleucine or valine' 0 C--O 1.247 0.966 0 CA-C-N 114.183 -1.372 . . . . 75.239999999999995 112.278 -169.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -57.68 -49.15 77.46 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.008 0.523 . . . . 74.030000000000001 109.671 170.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -69.58 -24.49 63.69 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.182 0.993 . . . . 72.230000000000004 111.535 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 85.2 mm-40 -76.5 -15.37 59.9 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.172 0.589 . . . . 71.430000000000007 111.565 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.51 17.87 47.61 Favored Glycine 0 C--N 1.344 0.974 0 O-C-N 123.238 0.336 . . . . 75.209999999999994 113.07 177.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.493 ' OH ' ' HA ' ' A' ' 121' ' ' MET . 1.8 m-85 -97.04 159.09 15.11 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.344 0.658 . . . . 72.340000000000003 109.673 177.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.426 ' HB2' HG23 ' A' ' 54' ' ' ILE . 22.8 mp0 -86.39 112.75 21.75 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 107.752 -1.203 . . . . 73.239999999999995 107.752 176.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.3 t -88.77 110.85 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 109.306 -0.627 . . . . 75.239999999999995 109.306 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -123.06 105.68 10.15 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.285 -1.006 . . . . 62.450000000000003 108.285 175.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -89.19 151.31 22.24 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.833 -0.803 . . . . 73.239999999999995 108.833 177.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.606 HG12 HD13 ' A' ' 63' ' ' LEU . 98.5 t -130.66 121.43 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.655 -0.868 . . . . 61.409999999999997 108.655 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -129.32 17.64 5.97 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.76 0.824 . . . . 70.219999999999999 110.16 177.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -161.96 151.33 16.0 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.984 0.913 . . . . 70.400000000000006 109.971 -175.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.4 m -67.16 -36.6 82.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.956 0.902 . . . . 72.319999999999993 112.077 -178.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.506 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 8.1 m-20 -77.54 -20.32 54.34 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 110.007 -0.368 . . . . 72.430000000000007 110.007 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 37.3 mm-40 -68.65 -45.73 71.03 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.816 0.446 . . . . 73.040000000000006 111.236 170.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.448 ' O ' ' HG2' ' A' ' 42' ' ' MET . 1.2 pp -63.12 -41.27 99.3 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 110.263 -0.273 . . . . 72.340000000000003 110.263 -175.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 17.7 ptpt -64.96 -27.34 68.77 Favored 'General case' 0 CA--C 1.554 1.131 0 O-C-N 123.016 0.197 . . . . 52.329999999999998 111.43 -176.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -70.16 -55.47 9.3 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.488 0.715 . . . . 71.219999999999999 110.392 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 16.7 mm-40 -64.17 -38.14 89.99 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.795 0.838 . . . . 72.129999999999995 111.402 -171.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 87.6 mmm -68.27 -32.39 72.52 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.473 0.709 . . . . 75.0 111.504 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 53.1 mtpt -67.78 -43.76 79.03 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 118.901 -0.571 . . . . 75.439999999999998 109.941 174.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -53.22 -33.84 54.58 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 123.6 0.76 . . . . 72.120000000000005 112.27 -177.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.0 mt -65.61 -38.11 88.51 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.208 1.003 . . . . 62.439999999999998 110.931 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.43 -32.82 20.67 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.476 1.11 . . . . 73.439999999999998 112.22 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 20.6 mm-40 -73.22 -55.12 6.87 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 108.734 -0.839 . . . . 75.200000000000003 108.734 -176.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -83.16 129.48 35.02 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 114.807 -1.088 . . . . 65.310000000000002 108.462 174.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -104.1 -56.77 2.14 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.753 0.821 . . . . 75.150000000000006 109.957 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -85.17 86.89 7.34 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.838 -0.619 . . . . 72.140000000000001 111.176 -174.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -167.5 154.67 8.53 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.324 1.45 . . . . 71.310000000000002 108.211 168.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.427 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 13.4 pt-20 -70.15 173.94 6.06 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.235 0.614 . . . . 64.099999999999994 111.983 -172.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.484 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -47.75 132.25 14.49 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.13 1.372 . . . . 50.399999999999999 112.804 174.324 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.426 HG23 ' HB2' ' A' ' 28' ' ' GLN . 4.0 mp -103.89 146.29 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.109 0.963 . . . . 72.420000000000002 109.376 -174.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.406 HD22 HG11 ' A' ' 22' ' ' VAL . 4.9 tt -107.09 112.09 24.85 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 123.339 0.656 . . . . 55.030000000000001 109.369 175.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.3 mm -96.97 138.73 21.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 N-CA-C 108.135 -1.061 . . . . 60.439999999999998 108.135 175.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.4 mt -116.81 152.72 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 107.206 -1.405 . . . . 43.109999999999999 107.206 169.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.1 t -146.51 149.49 33.72 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 124.004 0.922 . . . . 54.399999999999999 108.726 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -93.7 -6.42 46.29 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.116 0.966 . . . . 72.540000000000006 110.596 -178.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -141.79 150.93 42.34 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.427 0.691 . . . . 75.150000000000006 111.198 -172.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -85.85 -28.78 24.21 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.187 0.995 . . . . 75.340000000000003 112.467 -173.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -65.32 -36.09 82.98 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 109.477 -0.564 . . . . 75.120000000000005 109.477 176.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.606 HD13 HG12 ' A' ' 32' ' ' VAL . 75.0 mt -65.5 -45.88 81.86 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.428 0.691 . . . . 42.340000000000003 110.009 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' A' ' 8' ' ' ASN . 96.0 mt -50.72 -59.64 3.87 Favored 'General case' 0 C--N 1.37 1.458 0 O-C-N 124.315 1.009 . . . . 74.310000000000002 110.43 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.505 ' HA ' HD12 ' A' ' 68' ' ' LEU . 37.3 ttpt -59.92 -41.99 92.95 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 125.051 1.469 . . . . 72.109999999999999 110.988 -167.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -54.09 -54.17 43.18 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 124.295 0.997 . . . . 61.229999999999997 110.564 173.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.449 ' O ' HG13 ' A' ' 71' ' ' ILE . 78.9 mtm -63.26 -43.22 98.6 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.239 -0.891 . . . . 74.230000000000004 111.57 -176.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 65' ' ' LYS . 74.6 mt -54.85 -42.23 71.71 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.259 1.024 . . . . 62.340000000000003 111.026 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -66.87 -44.65 80.38 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.754 -1.112 . . . . 72.239999999999995 110.726 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.84 -45.06 90.94 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.694 0.797 . . . . 73.349999999999994 111.198 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.516 HD13 ' HB3' ' A' ' 4' ' ' LEU . 89.9 mt -59.6 -33.04 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 124.848 1.259 . . . . 62.439999999999998 111.79 -178.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.1 t -62.07 -47.07 86.31 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 115.501 -0.772 . . . . 64.239999999999995 111.136 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.405 ' HD2' ' H ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -86.92 -7.34 58.28 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 111.73 0.27 . . . . 63.409999999999997 111.73 178.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.2 mt -76.95 -31.03 56.3 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 109.888 -0.412 . . . . 74.030000000000001 109.888 168.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.99 50.89 2.01 Favored Glycine 0 C--N 1.347 1.171 0 CA-C-N 116.296 -0.411 . . . . 71.109999999999999 112.63 175.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.484 ' HB2' HG23 ' A' ' 71' ' ' ILE . 16.7 m-85 -128.38 144.36 51.12 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.846 0.859 . . . . 74.109999999999999 109.577 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.59 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . 49.9 tttm -71.63 117.04 12.71 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.053 -0.721 . . . . 71.409999999999997 109.053 174.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.43 129.8 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.652 0.781 . . . . 60.020000000000003 110.754 -168.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -123.33 149.31 45.03 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 107.872 -1.159 . . . . 73.200000000000003 107.872 172.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.409 HD22 HD11 ' A' ' 68' ' ' LEU . 56.1 tp -141.73 143.25 33.42 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 107.738 -1.208 . . . . 45.229999999999997 107.738 178.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 35.9 tp -144.2 128.65 17.97 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 105.918 -1.882 . . . . 63.5 105.918 178.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 106' ' ' LYS . 1.3 pp -145.73 149.0 33.6 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.256 0.55 . . . . 64.519999999999996 111.832 -174.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.448 ' HB3' HG23 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -150.7 155.76 39.96 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-N 114.291 -1.322 . . . . 74.530000000000001 108.988 175.392 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.473 ' HB2' HD21 ' A' ' 90' ' ' LEU . 6.0 t70 -157.74 173.08 17.37 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 107.893 -1.151 . . . . 72.25 107.893 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.468 ' HG3' HD22 ' A' ' 10' ' ' ASN . 77.4 mt-30 -60.28 -52.69 64.19 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 109.233 -0.654 . . . . 74.430000000000007 109.233 167.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -92.77 119.1 31.8 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.603 -0.726 . . . . 54.439999999999998 109.518 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.576 ' HA ' HD12 ' A' ' 90' ' ' LEU . 50.4 tt0 -75.02 -27.49 60.1 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.372 1.069 . . . . 71.430000000000007 111.647 -176.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.403 ' HA ' ' HG2' ' A' ' 91' ' ' GLU . 19.6 m120 -70.96 -34.28 71.29 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 116.491 -0.322 . . . . 73.340000000000003 111.109 -176.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -58.03 -35.47 71.33 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.172 0.589 . . . . 74.230000000000004 111.193 172.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 87' ' ' GLU . 80.2 mt -72.31 -47.79 47.16 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.843 -1.072 . . . . 75.519999999999996 111.803 -177.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.524 ' HB3' ' HE2' ' A' ' 106' ' ' LYS . 8.4 pt-20 -81.54 -25.31 35.99 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 123.425 0.453 . . . . 74.209999999999994 112.134 -173.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -74.92 -30.41 61.25 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 117.883 0.31 . . . . 72.200000000000003 110.39 171.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -71.49 -39.77 70.65 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 122.376 0.27 . . . . 71.230000000000004 110.524 168.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.646 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 28.4 ttpp -65.73 -42.32 91.19 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.459 0.704 . . . . 74.030000000000001 111.862 -173.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -57.8 -27.19 62.9 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.033 0.533 . . . . 72.109999999999999 111.755 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.12 -34.94 59.48 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.411 1.084 . . . . 64.030000000000001 110.496 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.414 HG22 ' HB2' ' A' ' 102' ' ' TYR . 32.9 mm -78.1 -41.01 26.68 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 C-N-CA 124.531 1.132 . . . . 74.120000000000005 111.086 -177.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.44 -31.28 72.43 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.576 1.15 . . . . 74.310000000000002 111.505 173.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.3 t -63.34 -37.55 87.68 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 123.806 0.691 . . . . 75.0 110.723 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -80.19 -21.49 42.92 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.723 0.809 . . . . 51.539999999999999 110.898 175.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.34 33.8 7.87 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 116.385 -0.37 . . . . 64.310000000000002 113.485 172.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.414 ' HB2' HG22 ' A' ' 97' ' ' ILE . 20.7 m-85 -94.91 143.09 26.75 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.729 -0.471 . . . . 75.25 109.729 176.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -75.22 92.56 2.73 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.572 0.749 . . . . 74.519999999999996 110.02 -175.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 p -110.32 138.85 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.704 0.802 . . . . 73.310000000000002 111.369 -172.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -123.01 118.95 28.96 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.401 1.081 . . . . 62.119999999999997 108.948 177.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.646 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 1.3 tmmt? -103.3 124.23 48.26 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.186 0.994 . . . . 62.240000000000002 109.373 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.448 HG23 ' HB3' ' A' ' 83' ' ' GLN . 33.7 m -128.82 156.74 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 108.281 -1.007 . . . . 51.32 108.281 178.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.0 m -86.8 -62.67 1.45 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 109.117 -0.697 . . . . 63.399999999999999 109.117 176.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -95.39 169.22 10.21 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.051 1.13 . . . . 75.299999999999997 114.051 -167.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.546 ' HA ' HD22 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -59.23 -54.3 48.49 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 112.264 -2.244 . . . . 64.239999999999995 112.225 -175.445 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.38 -32.3 71.18 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.514 0.726 . . . . 72.349999999999994 111.957 -175.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.684 ' HA ' ' HE2' ' A' ' 115' ' ' LYS . 44.6 mt-10 -70.66 -33.44 70.96 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 123.569 0.748 . . . . 73.019999999999996 111.238 -176.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -69.07 -40.0 78.74 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.805 -0.634 . . . . 75.120000000000005 110.183 174.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.403 HD11 ' HE2' ' A' ' 17' ' ' LYS . 97.9 mt -64.32 -33.58 76.16 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.277 0.631 . . . . 65.450000000000003 110.93 -178.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.684 ' HE2' ' HA ' ' A' ' 112' ' ' GLU . 51.3 mtmt -57.96 -59.0 5.93 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 123.906 0.754 . . . . 75.040000000000006 110.093 175.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 44.8 mt -70.76 -25.63 26.65 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 123.845 0.858 . . . . 44.210000000000001 111.769 -170.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 113' ' ' ALA . 43.8 t -59.36 -51.78 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.207 0.603 . . . . 50.530000000000001 109.518 169.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -70.0 -38.66 76.05 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.738 -0.664 . . . . 73.129999999999995 111.3 -178.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.48 -33.37 75.73 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.262 0.625 . . . . 71.510000000000005 111.708 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -64.47 -30.36 71.39 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.563 0.345 . . . . 75.540000000000006 110.557 176.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.493 ' HA ' ' OH ' ' A' ' 27' ' ' TYR . 21.9 mmt -58.44 -31.25 67.58 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 123.563 0.539 . . . . 54.439999999999998 111.624 -178.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 . . . . . 0 CA--C 1.556 1.203 0 C-N-CA 123.253 0.621 . . . . 74.230000000000004 112.035 175.021 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 108.944 -0.761 . . . . 63.439999999999998 108.944 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.447 ' HG3' ' HB3' ' A' ' 77' ' ' LYS . 3.2 mp0 -110.98 124.93 53.11 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 108.287 -1.005 . . . . 75.019999999999996 108.287 172.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.426 HD11 HD22 ' A' ' 45' ' ' LEU . 3.8 mm? -105.66 130.45 53.68 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 109.816 -0.439 . . . . 45.409999999999997 109.816 -174.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.0 tt -117.34 115.32 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.571 -0.899 . . . . 50.439999999999998 108.571 178.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 mp -104.91 121.11 43.02 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.467 -0.938 . . . . 72.040000000000006 108.467 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.583 HG21 HD13 ' A' ' 18' ' ' ILE . 2.1 mp -99.72 129.74 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 108.735 -0.839 . . . . 61.329999999999998 108.735 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.634 ' HB2' HD11 ' A' ' 64' ' ' LEU . 4.4 t-20 -110.7 114.23 27.45 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 108.406 -0.961 . . . . 75.319999999999993 108.406 173.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.462 HG22 HG22 ' A' ' 7' ' ' ILE . 1.5 t -145.89 132.1 19.46 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.688 0.795 . . . . 71.510000000000005 109.937 -178.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -102.5 15.31 29.6 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.337 0.655 . . . . 61.310000000000002 111.55 175.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.458 ' O ' HG13 ' A' ' 15' ' ' ILE . 39.2 t30 -113.9 109.32 18.32 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 109.115 -0.698 . . . . 75.329999999999998 109.115 174.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -52.21 -42.52 63.6 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.891 1.276 . . . . 71.129999999999995 111.54 177.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -63.36 -39.56 94.88 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 115.128 -0.942 . . . . 64.219999999999999 111.361 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.3 tp -69.13 -37.75 78.49 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 119.057 -0.497 . . . . 73.349999999999994 110.417 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.524 HG22 ' HE3' ' A' ' 19' ' ' LYS . 24.9 mt -57.42 -40.0 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 123.623 0.577 . . . . 62.219999999999999 109.909 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -62.3 -47.05 86.02 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 115.415 -0.811 . . . . 74.239999999999995 111.105 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -66.36 -36.47 82.97 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.646 0.778 . . . . 64.530000000000001 111.354 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.583 HD13 HG21 ' A' ' 7' ' ' ILE . 87.6 mt -62.76 -51.02 77.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 CA-C-N 115.052 -0.977 . . . . 74.310000000000002 108.964 175.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.614 ' HE2' HG11 ' A' ' 29' ' ' VAL . 91.0 mttt -58.21 -33.3 69.15 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.365 0.666 . . . . 54.32 111.984 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 10.3 mmpt? -62.12 -48.01 82.04 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.573 0.545 . . . . 71.019999999999996 109.998 174.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 50.8 mm-40 -60.36 -47.06 87.69 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.961 0.788 . . . . 75.430000000000007 111.973 175.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 18' ' ' ILE . 44.8 t -58.91 -36.53 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 123.681 0.792 . . . . 70.010000000000005 110.676 -176.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.94 -44.81 79.65 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.256 -0.883 . . . . 72.349999999999994 111.134 174.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -61.55 -30.77 70.86 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 123.757 0.823 . . . . 72.319999999999993 110.966 177.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 73.7 mm-40 -84.34 -25.42 29.22 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.902 0.881 . . . . 73.150000000000006 110.414 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.15 26.34 19.07 Favored Glycine 0 C--N 1.354 1.54 0 C-N-CA 123.106 0.384 . . . . 55.340000000000003 113.662 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -106.24 159.1 16.37 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.98 0.912 . . . . 72.219999999999999 110.047 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -95.04 128.72 42.08 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.71 0.804 . . . . 61.329999999999998 109.58 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.614 HG11 ' HE2' ' A' ' 19' ' ' LYS . 25.5 t -86.91 124.51 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.195 0.598 . . . . 62.329999999999998 109.602 175.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -124.26 111.55 15.97 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 108.35 -0.981 . . . . 72.409999999999997 108.35 170.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -86.4 147.05 26.19 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.32 1.048 . . . . 71.450000000000003 111.351 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.466 HG12 HD13 ' A' ' 63' ' ' LEU . 94.1 t -132.79 121.4 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.339 1.056 . . . . 61.039999999999999 108.819 177.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -132.52 7.73 4.18 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.48 0.712 . . . . 72.209999999999994 110.352 173.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.477 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 10.4 t70 -144.95 148.56 33.95 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.962 0.505 . . . . 51.409999999999997 109.842 -177.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.497 ' HA ' HD23 ' A' ' 38' ' ' LEU . 19.6 p -73.9 -17.37 61.04 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.742 0.817 . . . . 75.540000000000006 112.868 -175.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 13.7 t70 -77.49 -41.8 38.06 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.351 0.66 . . . . 63.240000000000002 109.731 173.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.477 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 14.1 mm-40 -59.23 -43.47 92.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.684 0.793 . . . . 72.329999999999998 112.236 -175.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 35' ' ' SER . 3.2 pp -61.61 -41.98 98.23 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 123.938 0.774 . . . . 75.310000000000002 112.12 -168.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 18.9 ptpt -65.37 -35.52 81.22 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.406 0.441 . . . . 75.230000000000004 110.555 -176.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 44.5 mtpt -70.91 -36.55 72.74 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.585 1.154 . . . . 51.039999999999999 110.79 -178.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -68.66 -41.0 79.94 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.659 0.6 . . . . 73.129999999999995 109.81 176.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.513 ' SD ' HG13 ' A' ' 71' ' ' ILE . 31.6 mmt -62.76 -38.7 91.61 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.339 0.656 . . . . 60.149999999999999 110.896 177.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -65.94 -38.2 88.01 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.352 -0.386 . . . . 72.230000000000004 110.839 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 46.6 mmtm -60.25 -32.85 71.54 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 123.268 0.627 . . . . 62.039999999999999 112.326 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.426 HD22 HD11 ' A' ' 4' ' ' LEU . 23.2 mt -62.34 -33.47 74.76 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.986 0.804 . . . . 73.420000000000002 110.285 175.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.54 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -93.17 -23.39 18.59 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.911 1.284 . . . . 64.040000000000006 112.737 -177.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -63.58 -55.69 21.78 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 118.059 0.391 . . . . 60.409999999999997 111.125 -173.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.18 156.73 21.93 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 122.889 0.475 . . . . 72.129999999999995 110.635 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -103.24 -41.36 6.08 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.703 0.801 . . . . 63.530000000000001 112.544 -175.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -126.21 86.55 2.54 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.976 0.51 . . . . 75.310000000000002 110.584 -169.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -162.36 163.26 27.96 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-N 115.205 -0.907 . . . . 70.239999999999995 109.239 -178.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.22 178.73 5.56 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.665 0.745 . . . . 63.200000000000003 111.474 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.44 ' HD2' ' HB2' ' A' ' 3' ' ' GLU . 17.3 pttt -89.37 150.54 22.5 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 114.854 -1.066 . . . . 74.329999999999998 111.919 -176.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.8 mp -105.31 138.26 31.1 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-N 114.668 -1.151 . . . . 73.030000000000001 109.398 -173.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.45 HD13 HG22 ' A' ' 22' ' ' VAL . 6.5 tt -90.8 121.22 32.48 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.983 -0.747 . . . . 65.450000000000003 108.983 172.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.2 mm -98.63 137.82 25.01 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 123.802 0.841 . . . . 61.32 108.762 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.1 mt -119.53 134.01 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 N-CA-C 107.271 -1.381 . . . . 72.430000000000007 107.271 166.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.9 t -133.07 143.97 49.69 Favored 'General case' 0 C--O 1.243 0.735 0 C-N-CA 123.271 0.629 . . . . 52.149999999999999 110.018 177.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -77.77 -33.29 52.78 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.061 0.944 . . . . 74.099999999999994 111.238 -177.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -121.16 151.61 39.72 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.518 0.727 . . . . 51.350000000000001 111.743 -168.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.419 ' HA ' HD12 ' A' ' 64' ' ' LEU . 61.2 mttp -80.03 -34.12 38.6 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.451 1.101 . . . . 73.409999999999997 112.89 -174.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.53 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 49.8 mt-30 -64.77 -33.08 75.12 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 110.023 -0.362 . . . . 73.340000000000003 110.023 178.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.466 HD13 HG12 ' A' ' 32' ' ' VAL . 68.6 mt -68.15 -38.97 82.72 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 123.983 0.802 . . . . 74.519999999999996 110.721 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.634 HD11 ' HB2' ' A' ' 8' ' ' ASN . 89.1 mt -55.32 -56.35 21.12 Favored 'General case' 0 C--N 1.36 1.047 0 O-C-N 124.313 1.008 . . . . 64.319999999999993 110.539 178.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -58.97 -39.49 81.89 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 124.48 1.113 . . . . 51.409999999999997 111.71 -172.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 16.1 mm-40 -56.54 -49.92 73.4 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 124.228 0.955 . . . . 73.319999999999993 110.901 173.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 74.7 mtm -63.42 -40.43 97.15 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.762 -0.653 . . . . 53.409999999999997 111.677 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.566 HD11 HD22 ' A' ' 80' ' ' LEU . 60.7 mt -57.47 -45.22 85.04 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.353 0.661 . . . . 72.439999999999998 111.707 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -76.55 -29.52 56.73 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.629 -0.714 . . . . 75.400000000000006 111.127 -177.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.573 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 81.0 mt -70.31 -42.98 71.27 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 123.099 0.249 . . . . 75.519999999999996 111.016 174.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.513 HG13 ' SD ' ' A' ' 42' ' ' MET . 71.4 mt -64.57 -33.11 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 C-N-CA 123.674 0.79 . . . . 54.240000000000002 110.155 176.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.1 t -67.76 -41.2 83.68 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.058 -0.974 . . . . 54.509999999999998 111.018 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 14.6 ptmm? -77.43 -24.65 50.35 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 116.857 -0.156 . . . . 70.219999999999999 110.914 177.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 98.2 mt -66.93 -28.42 68.28 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 122.808 0.443 . . . . 74.219999999999999 109.872 170.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.78 23.28 21.27 Favored Glycine 0 C--N 1.348 1.205 0 CA-C-N 115.512 -0.767 . . . . 14.119999999999999 113.212 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -100.46 170.51 8.35 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.672 0.789 . . . . 72.120000000000005 111.068 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.447 ' HB3' ' HG3' ' A' ' 3' ' ' GLU . 11.6 ttmm -69.25 128.45 36.64 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 109.577 -0.527 . . . . 70.129999999999995 109.577 170.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.3 t -100.4 108.36 22.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.658 0 CA-C-N 115.061 -0.972 . . . . 53.219999999999999 109.101 174.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -115.12 137.09 52.41 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.01 -1.107 . . . . 55.340000000000003 108.01 172.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.576 HD11 HD13 ' A' ' 64' ' ' LEU . 57.3 tp -131.03 149.27 52.69 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.424 1.09 . . . . 73.329999999999998 108.769 -178.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.556 HD23 HG13 ' A' ' 7' ' ' ILE . 41.0 tp -138.6 135.24 34.74 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.461 -1.681 . . . . 73.430000000000007 106.461 176.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.562 HD13 ' HB3' ' A' ' 90' ' ' LEU . 0.6 OUTLIER -136.55 142.23 43.4 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 122.79 0.436 . . . . 74.299999999999997 110.778 175.281 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.78 146.6 34.41 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 124.353 1.061 . . . . 75.200000000000003 109.069 178.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -157.51 165.54 35.35 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 125.239 1.416 . . . . 75.439999999999998 107.677 167.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -75.45 -17.07 60.25 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.877 -0.601 . . . . 73.219999999999999 109.725 168.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -104.02 109.09 20.73 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.269 1.028 . . . . 74.200000000000003 108.499 171.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -75.01 -21.66 58.97 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.796 0.838 . . . . 60.409999999999997 111.958 -175.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -75.46 -28.08 59.15 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.633 0.373 . . . . 74.510000000000005 111.418 -176.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -59.06 -36.04 74.37 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.565 0.697 . . . . 63.549999999999997 111.019 170.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.562 ' HB3' HD13 ' A' ' 82' ' ' LEU . 79.2 mt -75.32 -50.22 16.68 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 114.328 -1.306 . . . . 62.140000000000001 111.594 -172.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -73.49 -27.67 61.51 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.315 0.858 . . . . 72.049999999999997 113.315 -170.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.68 -39.62 73.4 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 118.024 0.374 . . . . 71.0 110.783 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.488 ' O ' HG12 ' A' ' 97' ' ' ILE . 57.1 t80 -73.79 -42.18 61.35 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.698 0.399 . . . . 64.510000000000005 110.167 174.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.447 ' HD2' ' HB2' ' A' ' 106' ' ' LYS . 62.3 tttp -60.3 -44.8 95.1 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.695 0.798 . . . . 64.140000000000001 111.578 -175.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -62.09 -27.96 69.28 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 123.643 0.589 . . . . 71.530000000000001 111.795 -178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -71.75 -42.53 67.1 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.216 0.606 . . . . 54.140000000000001 109.963 174.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 93' ' ' PHE . 30.6 mm -69.6 -30.35 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 C-N-CA 123.76 0.824 . . . . 70.420000000000002 110.834 -178.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 56.2 mm-40 -57.87 -47.43 82.77 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.354 0.662 . . . . 65.319999999999993 110.372 168.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.9 m -69.36 -31.09 69.29 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.971 0.908 . . . . 61.310000000000002 111.715 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -73.73 -23.54 59.78 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.421 0.688 . . . . 55.340000000000003 110.007 173.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.27 44.74 6.12 Favored Glycine 0 C--N 1.349 1.253 0 CA-C-N 115.826 -0.625 . . . . 74.140000000000001 112.859 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -117.75 142.61 47.07 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.583 0.753 . . . . 40.549999999999997 109.82 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -78.91 88.53 4.71 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.087 0.955 . . . . 63.240000000000002 110.894 -174.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 p -105.73 140.19 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.628 0.771 . . . . 64.340000000000003 111.129 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -111.6 136.4 50.85 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.658 0.783 . . . . 74.25 109.48 175.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 82' ' ' LEU . 29.9 ttmt -102.17 128.95 48.45 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.261 0.625 . . . . 75.400000000000006 109.366 175.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.426 ' HB ' ' HB2' ' A' ' 112' ' ' GLU . 34.3 m -136.02 144.57 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 109.316 -0.624 . . . . 62.439999999999998 109.316 175.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.0 m -102.3 -37.62 7.99 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.738 0.815 . . . . 73.219999999999999 110.086 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -100.17 155.68 17.62 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.047 -0.978 . . . . 53.130000000000003 111.406 -171.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -48.59 -54.33 14.97 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.847 1.659 . . . . 73.450000000000003 111.762 170.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 11.2 pt-20 -56.93 -42.61 80.31 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 124.324 1.015 . . . . 74.140000000000001 111.464 -174.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.482 ' O ' HG12 ' A' ' 116' ' ' ILE . 45.5 mt-10 -66.33 -39.09 89.01 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 123.985 0.803 . . . . 63.439999999999998 110.69 -175.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.19 -42.29 96.73 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.755 0.659 . . . . 72.349999999999994 111.104 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.45 -36.03 82.85 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.782 0.833 . . . . 75.340000000000003 110.557 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 98.0 mttt -65.84 -45.8 80.88 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 115.205 -0.907 . . . . 63.229999999999997 110.615 177.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 112' ' ' GLU . 50.6 mm -65.66 -32.92 60.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 C-N-CA 122.899 0.48 . . . . 71.299999999999997 111.74 -175.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.505 ' O ' ' HG2' ' A' ' 121' ' ' MET . 85.3 t -53.44 -51.49 41.09 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 O-C-N 123.621 0.575 . . . . 72.150000000000006 109.474 170.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -69.72 -40.64 76.11 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.105 0.962 . . . . 71.340000000000003 111.555 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 47.8 mm-40 -56.72 -42.03 78.46 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.313 1.045 . . . . 63.039999999999999 111.239 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -63.04 -41.73 99.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.507 0.723 . . . . 63.219999999999999 111.156 176.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 14.8 mmt -64.55 -24.26 67.54 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 112.37 0.507 . . . . 74.329999999999998 112.37 -171.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 . . . . . 0 CA--C 1.552 1.023 0 N-CA-C 109.577 -0.527 . . . . 70.409999999999997 109.577 168.378 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 79.5 tttt . . . . . 0 C--O 1.233 0.21 0 N-CA-C 106.171 -1.789 . . . . 71.549999999999997 106.171 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 2.2 mp0 -89.04 136.97 32.73 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.429 -0.805 . . . . 53.229999999999997 110.472 -172.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.497 ' HB2' HG21 ' A' ' 71' ' ' ILE . 4.5 mm? -118.84 111.37 18.34 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 106.548 -1.649 . . . . 61.420000000000002 106.548 174.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.417 HG13 ' HD1' ' A' ' 79' ' ' PHE . 3.2 tt -105.5 120.13 55.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.865 0.866 . . . . 52.43 108.759 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mp -101.63 123.6 45.89 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.408 -0.96 . . . . 75.340000000000003 108.408 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.432 HG21 HD13 ' A' ' 18' ' ' ILE . 2.3 mp -100.8 119.15 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 108.577 -0.898 . . . . 54.229999999999997 108.577 177.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.487 ' HB2' HD11 ' A' ' 64' ' ' LEU . 4.8 t-20 -96.21 118.61 33.13 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 107.2 -1.407 . . . . 71.409999999999997 107.2 169.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.447 HG23 HG12 ' A' ' 15' ' ' ILE . 1.8 t -144.44 136.65 26.33 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.279 0.632 . . . . 64.120000000000005 109.575 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -96.54 -11.3 25.63 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 114.962 -1.017 . . . . 75.239999999999995 110.839 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.407 ' O ' HG13 ' A' ' 15' ' ' ILE . 56.0 t30 -97.96 114.68 26.87 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.052 0.941 . . . . 70.329999999999998 109.847 -172.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.79 -43.79 92.07 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.641 1.176 . . . . 75.310000000000002 112.431 -170.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 9.0 pt-20 -63.37 -37.86 88.92 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.886 -0.597 . . . . 73.140000000000001 110.519 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' HG13 ' A' ' 18' ' ' ILE . 47.4 tp -63.34 -42.47 98.95 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 123.82 0.7 . . . . 75.129999999999995 110.352 178.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.599 HG23 HG21 ' A' ' 57' ' ' ILE . 50.1 mt -53.23 -49.95 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 123.307 0.643 . . . . 74.319999999999993 110.222 177.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 59.9 mttp -59.68 -46.6 88.57 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.856 -1.065 . . . . 75.299999999999997 111.468 -178.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 60.3 mtpt -63.43 -40.9 98.42 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.008 -0.996 . . . . 60.530000000000001 111.176 -176.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.534 ' O ' HG23 ' A' ' 22' ' ' VAL . 80.9 mt -61.33 -49.09 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 123.865 0.728 . . . . 64.120000000000005 109.141 176.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HE3' HG22 ' A' ' 15' ' ' ILE . 98.8 mttt -50.61 -46.91 58.3 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 123.915 0.759 . . . . 71.329999999999998 111.109 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 10.1 mmpt? -62.06 -46.37 89.44 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.541 0.736 . . . . 73.439999999999998 111.275 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 13.1 mm-40 -61.37 -44.18 97.61 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.391 0.676 . . . . 70.150000000000006 111.542 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 18' ' ' ILE . 78.9 t -68.26 -33.65 61.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 C-N-CA 124.291 1.036 . . . . 43.119999999999997 111.15 -177.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -68.97 -37.09 78.59 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.391 0.676 . . . . 73.430000000000007 110.558 174.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -63.32 -38.03 89.59 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.312 0.645 . . . . 41.539999999999999 110.338 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 13.9 mm-40 -80.79 -14.3 58.2 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 115.18 -0.918 . . . . 74.510000000000005 111.474 -179.05 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.17 28.7 33.03 Favored Glycine 0 C--N 1.353 1.475 0 N-CA-C 114.199 0.44 . . . . 73.329999999999998 114.199 172.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 1.4 m-85 -96.26 159.75 14.79 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.163 0.585 . . . . 74.409999999999997 109.457 175.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.428 HE21 HG13 ' A' ' 54' ' ' ILE . 1.1 mp0 -79.82 114.1 18.48 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.377 -0.972 . . . . 72.310000000000002 108.377 177.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.77 104.78 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 109.438 -0.579 . . . . 72.200000000000003 109.438 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -100.89 129.71 46.79 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 107.51 -1.293 . . . . 62.229999999999997 107.51 169.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -122.56 115.89 22.93 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.638 0.732 . . . . 54.119999999999997 109.745 176.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.617 HG11 ' HB3' ' A' ' 38' ' ' LEU . 87.5 t -109.51 120.83 61.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 125.133 1.373 . . . . 70.299999999999997 108.304 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -103.12 -19.64 14.46 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.094 0.557 . . . . 74.349999999999994 109.814 176.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -150.57 154.46 37.6 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.238 1.015 . . . . 61.240000000000002 110.068 -175.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.8 p -65.62 -17.48 64.62 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 113.757 1.021 . . . . 70.329999999999998 113.757 -173.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.434 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 26.7 t70 -69.76 -22.72 63.33 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.995 0.518 . . . . 65.200000000000003 110.614 177.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' HB2' HG13 ' A' ' 32' ' ' VAL . 40.4 mt-10 -83.45 -46.42 12.52 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 124.183 0.993 . . . . 61.109999999999999 111.608 177.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.617 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.8 pp -65.59 -34.75 78.96 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 123.062 0.226 . . . . 52.210000000000001 111.495 -172.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.434 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 18.7 ptpt -60.6 -27.92 68.1 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.656 0.382 . . . . 73.120000000000005 111.667 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -83.07 -48.57 10.45 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.172 0.989 . . . . 71.040000000000006 111.248 -177.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.59 -24.71 38.96 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.92 -0.582 . . . . 71.439999999999998 111.573 -173.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.7 mmt -63.08 -33.91 76.47 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.397 0.679 . . . . 51.450000000000003 111.606 171.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 66.2 mttm -58.19 -50.45 73.49 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.748 -0.834 . . . . 63.43 108.748 171.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -63.66 -34.18 77.28 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 115.018 -0.992 . . . . 73.510000000000005 112.268 -177.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.0 mt -65.14 -36.71 85.1 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.061 0.544 . . . . 71.400000000000006 111.08 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.78 -39.89 26.03 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.598 0.759 . . . . 71.099999999999994 111.319 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 30.3 mm-40 -66.31 -55.64 15.03 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.766 0.826 . . . . 75.299999999999997 110.147 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -73.61 86.61 1.62 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 107.502 -1.296 . . . . 64.200000000000003 107.502 174.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -82.74 -62.04 1.71 Allowed 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.28 -0.873 . . . . 71.430000000000007 108.879 -174.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -86.37 94.83 9.47 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.826 -1.079 . . . . 64.129999999999995 110.222 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.498 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -172.46 -179.52 2.24 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.925 1.29 . . . . 72.439999999999998 108.736 165.815 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.27 164.97 12.38 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.461 0.648 . . . . 72.230000000000004 111.894 179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 32.0 pttt -81.92 159.85 23.54 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.007 -0.997 . . . . 70.239999999999995 112.165 -172.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.498 HD11 ' CZ ' ' A' ' 51' ' ' PHE . 4.1 mp -120.31 149.0 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 114.527 -1.215 . . . . 53.530000000000001 109.257 -166.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.497 HD22 HG21 ' A' ' 22' ' ' VAL . 5.8 tt -112.92 122.9 49.02 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.972 0.909 . . . . 73.209999999999994 108.953 174.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.2 mm -99.03 136.8 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 N-CA-C 108.121 -1.066 . . . . 53.450000000000003 108.121 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.599 HG21 HG23 ' A' ' 15' ' ' ILE . 67.1 mt -116.47 122.45 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 106.175 -1.787 . . . . 73.109999999999999 106.175 166.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 27.7 t -128.2 116.63 20.19 Favored 'General case' 0 C--O 1.242 0.671 0 N-CA-C 108.957 -0.757 . . . . 74.129999999999995 108.957 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -65.74 -55.93 14.7 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.82 -1.082 . . . . 74.409999999999997 110.532 -178.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.49 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 10.5 t70 -83.5 145.29 29.0 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 115.903 -0.59 . . . . 64.239999999999995 109.766 -174.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -88.37 -22.65 23.69 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.654 0.983 . . . . 75.239999999999995 113.654 -167.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -68.36 -27.67 66.45 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 109.373 -0.603 . . . . 72.530000000000001 109.373 175.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.492 HD13 HG12 ' A' ' 32' ' ' VAL . 21.7 mt -68.61 -44.16 74.87 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 114.834 -1.076 . . . . 64.209999999999994 109.59 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 8' ' ' ASN . 68.1 mt -53.31 -59.79 4.12 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.874 1.358 . . . . 62.009999999999998 110.221 177.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -49.25 -46.98 46.83 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 124.511 1.132 . . . . 55.350000000000001 111.935 -175.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -63.0 -54.03 44.74 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.597 -0.729 . . . . 74.420000000000002 112.107 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 77.1 mtm -65.88 -40.72 91.87 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.202 0.601 . . . . 71.219999999999999 112.516 -172.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 63.9 mt -49.37 -43.56 44.12 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.262 1.025 . . . . 73.230000000000004 111.21 175.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -83.3 -27.22 29.96 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 115.237 -0.892 . . . . 54.0 112.131 -176.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 94.8 mt -63.79 -51.32 65.33 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.178 0.591 . . . . 72.530000000000001 110.277 172.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.497 HG21 ' HB2' ' A' ' 4' ' ' LEU . 75.4 mt -60.86 -36.27 70.47 Favored 'Isoleucine or valine' 0 C--O 1.247 0.969 0 C-N-CA 124.953 1.301 . . . . 73.129999999999995 111.189 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -62.79 -45.62 91.81 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 115.478 -0.783 . . . . 72.530000000000001 110.747 177.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -12.64 57.52 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.807 0.443 . . . . 63.32 111.881 -179.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 93.0 mt -71.05 -32.41 69.1 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 108.632 -0.877 . . . . 64.329999999999998 108.632 165.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.6 9.99 34.22 Favored Glycine 0 C--N 1.341 0.842 0 CA-C-N 115.006 -0.997 . . . . 75.040000000000006 112.218 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.479 ' HB2' HG23 ' A' ' 71' ' ' ILE . 16.4 m-85 -88.38 152.0 22.21 Favored 'General case' 0 C--O 1.245 0.825 0 C-N-CA 123.619 0.768 . . . . 71.340000000000003 109.536 176.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -73.18 137.42 45.06 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.294 -0.632 . . . . 71.340000000000003 109.294 175.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.1 t -107.42 134.78 48.15 Favored 'Isoleucine or valine' 0 C--O 1.244 0.799 0 C-N-CA 124.122 0.969 . . . . 63.109999999999999 109.933 -178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.417 ' HD1' HG13 ' A' ' 5' ' ' ILE . 56.1 t80 -134.09 146.69 50.52 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 107.432 -1.322 . . . . 63.509999999999998 107.432 170.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 55.6 tp -129.79 140.76 50.98 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 108.481 -0.933 . . . . 65.230000000000004 108.481 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.3 tp -136.79 112.88 9.73 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 106.429 -1.693 . . . . 74.549999999999997 106.429 174.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -119.72 151.03 39.41 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.212 0.605 . . . . 64.510000000000005 111.349 -172.67 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.486 ' HA ' HD21 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -145.89 109.53 4.78 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 107.808 -1.182 . . . . 72.129999999999995 107.808 172.607 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -104.08 154.35 19.82 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 108.228 -1.027 . . . . 72.420000000000002 108.228 169.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -70.56 -30.47 67.19 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.909 -0.587 . . . . 74.349999999999994 109.489 169.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -89.39 105.3 17.7 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.652 0.781 . . . . 65.209999999999994 109.236 173.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.486 ' HA ' HD13 ' A' ' 90' ' ' LEU . 10.5 tp10 -62.59 -29.89 70.93 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.458 0.703 . . . . 52.520000000000003 112.019 -178.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -60.37 -23.62 64.45 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.934 -1.03 . . . . 74.239999999999995 112.549 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -79.14 -38.97 34.76 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 112.522 0.564 . . . . 74.439999999999998 112.522 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.486 HD21 ' HA ' ' A' ' 83' ' ' GLN . 5.6 mp -62.9 -46.54 87.36 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 123.195 0.309 . . . . 64.150000000000006 111.174 -173.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.2 -41.86 97.58 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.766 0.826 . . . . 63.5 112.149 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -77.55 -36.52 52.18 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.006 0.522 . . . . 75.549999999999997 111.446 -175.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 97' ' ' ILE . 1.9 t80 -69.5 -40.47 76.99 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 109.065 -0.717 . . . . 73.340000000000003 109.065 175.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.64 ' HD3' ' HD2' ' A' ' 106' ' ' LYS . 23.0 mtpt -58.93 -52.88 63.87 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.41 0.684 . . . . 73.239999999999995 112.514 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -56.99 -26.51 60.23 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 123.496 0.498 . . . . 74.409999999999997 111.681 -173.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 32.8 mmtp -79.24 -50.25 11.23 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.596 0.758 . . . . 52.109999999999999 110.891 176.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 93' ' ' PHE . 38.3 mm -65.27 -39.55 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 123.939 0.896 . . . . 61.530000000000001 110.971 -175.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -53.47 -48.01 69.27 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.637 1.175 . . . . 72.409999999999997 111.75 168.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.1 t -70.37 -23.46 62.79 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 123.531 0.732 . . . . 72.230000000000004 111.259 -178.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.508 HE21 ' HA ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -75.67 -8.85 57.84 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.194 0.598 . . . . 73.439999999999998 111.456 174.695 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.07 25.58 24.05 Favored Glycine 0 C--N 1.344 0.994 0 CA-C-N 116.367 -0.379 . . . . 73.420000000000002 112.715 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.46 ' HB2' HG22 ' A' ' 97' ' ' ILE . 10.5 m-85 -113.13 158.0 20.94 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.755 -0.831 . . . . 74.409999999999997 108.755 174.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -109.26 131.54 54.97 Favored 'General case' 0 C--O 1.245 0.852 0 N-CA-C 108.766 -0.828 . . . . 54.210000000000001 108.766 175.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.569 HG13 ' HE3' ' A' ' 94' ' ' LYS . 1.5 p -134.79 133.11 54.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.268 -0.878 . . . . 65.049999999999997 110.558 -174.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -97.11 144.38 27.02 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 124.204 1.002 . . . . 64.129999999999995 109.918 171.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.64 ' HD2' ' HD3' ' A' ' 94' ' ' LYS . 14.4 ptmm? -117.25 141.63 48.06 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 124.019 0.928 . . . . 65.310000000000002 109.046 176.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.482 HG23 ' HB3' ' A' ' 83' ' ' GLN . 29.1 m -147.63 165.05 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 124.718 1.207 . . . . 61.530000000000001 109.38 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.7 m -116.95 -50.33 2.59 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.664 0.745 . . . . 70.120000000000005 109.473 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -94.08 160.29 14.78 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 114.346 -1.297 . . . . 65.230000000000004 110.49 -170.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -53.05 -53.64 47.27 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.451 1.5 . . . . 73.140000000000001 112.029 175.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -60.55 -36.76 79.22 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 123.943 0.777 . . . . 64.329999999999998 112.076 -173.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.47 -45.05 81.0 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.126 0.57 . . . . 64.0 109.997 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.44 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.04 -49.47 75.87 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.855 0.862 . . . . 75.099999999999994 111.788 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.8 mt -58.88 -45.02 91.17 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.207 1.003 . . . . 73.209999999999994 111.06 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 61.1 tttm -63.58 -44.94 92.6 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 114.476 -1.238 . . . . 62.130000000000003 110.169 -175.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 34.6 mt -72.89 -27.16 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.417 0.687 . . . . 75.140000000000001 112.564 -174.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 113' ' ' ALA . 73.9 t -54.18 -42.06 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 CA-C-O 121.4 0.619 . . . . 71.219999999999999 109.944 168.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -82.89 -37.21 24.58 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.461 1.105 . . . . 70.540000000000006 111.952 -178.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 24.9 mm-40 -57.73 -46.52 84.34 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.292 0.637 . . . . 61.130000000000003 109.552 176.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -43.94 -42.12 5.7 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 125.377 1.471 . . . . 73.219999999999999 112.322 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.9 mtt -62.5 -19.19 63.34 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 114.793 -1.094 . . . . 74.109999999999999 113.267 -172.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 . . . . . 0 N--CA 1.489 1.503 0 CA-C-N 118.24 0.473 . . . . 73.329999999999998 110.421 164.054 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 121.75 0.786 . . . . 70.040000000000006 111.619 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -113.6 149.64 34.24 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-N 114.27 -1.332 . . . . 72.549999999999997 108.449 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.94 121.82 12.0 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.721 -0.474 . . . . 74.519999999999996 109.721 -176.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 tt -118.55 137.46 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 109.552 -0.536 . . . . 73.530000000000001 109.552 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.514 HD21 ' HB2' ' A' ' 67' ' ' MET . 4.6 mp -116.34 132.0 56.79 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 107.832 -1.174 . . . . 73.109999999999999 107.832 174.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.553 HG13 HD23 ' A' ' 81' ' ' LEU . 2.2 mp -110.92 135.48 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 107.94 -1.133 . . . . 64.5 107.94 174.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.571 ' HB2' HD11 ' A' ' 64' ' ' LEU . 27.0 t-20 -116.54 109.01 16.7 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 107.101 -1.444 . . . . 71.329999999999998 107.101 168.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.631 HG23 HG12 ' A' ' 15' ' ' ILE . 1.2 t -125.64 118.66 26.15 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.511 -0.922 . . . . 54.020000000000003 108.511 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -94.79 10.77 33.9 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.907 -1.042 . . . . 75.239999999999995 110.202 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.492 ' O ' HG13 ' A' ' 15' ' ' ILE . 59.3 t-20 -108.43 119.63 40.07 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.702 1.201 . . . . 65.530000000000001 108.909 178.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -55.28 -56.6 18.2 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.667 1.187 . . . . 72.329999999999998 112.181 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -64.27 -32.43 74.02 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 115.323 -0.853 . . . . 65.319999999999993 110.651 -175.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.6 HD13 ' HB3' ' A' ' 110' ' ' ASP . 53.7 tp -69.99 -38.94 76.16 Favored 'General case' 0 C--N 1.362 1.138 0 CA-C-O 118.489 -0.767 . . . . 72.310000000000002 110.953 -179.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.631 HG12 HG23 ' A' ' 9' ' ' THR . 40.0 mt -51.57 -47.76 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 N-CA-C 109.066 -0.716 . . . . 63.229999999999997 109.066 176.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 52.9 mttm -59.47 -50.89 72.16 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.334 -1.303 . . . . 72.0 110.786 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.561 ' HE2' HD11 ' A' ' 114' ' ' LEU . 57.7 mtpt -58.11 -45.15 87.74 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.349 1.059 . . . . 72.219999999999999 111.697 -176.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.594 ' O ' HG23 ' A' ' 22' ' ' VAL . 75.6 mt -58.84 -53.56 45.82 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 O-C-N 124.369 1.043 . . . . 62.399999999999999 109.292 178.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 53.6 mtmt -56.69 -37.23 70.58 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 124.053 0.846 . . . . 70.439999999999998 112.156 -177.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 14.6 mmmm -66.87 -38.74 86.9 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 123.688 0.617 . . . . 71.109999999999999 111.039 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 25.0 mm-40 -62.61 -46.6 87.51 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 123.452 0.47 . . . . 61.109999999999999 110.212 173.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.597 HG21 HD22 ' A' ' 55' ' ' LEU . 58.1 t -63.26 -36.6 76.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.643 1.177 . . . . 62.439999999999998 111.547 -174.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.09 -39.67 90.19 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.81 0.844 . . . . 74.030000000000001 110.441 174.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -67.97 -26.7 66.06 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.563 0.745 . . . . 64.129999999999995 111.385 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 10.2 mm-40 -91.78 -10.2 40.83 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.111 0.565 . . . . 74.150000000000006 111.283 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.4 18.1 63.02 Favored Glycine 0 C--N 1.353 1.514 0 N-CA-C 114.548 0.579 . . . . 61.420000000000002 114.548 172.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.493 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 2.4 m-85 -88.02 156.56 19.25 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.452 0.701 . . . . 64.219999999999999 110.215 178.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -78.72 115.43 18.41 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 109.214 -0.662 . . . . 64.209999999999994 109.214 175.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.2 t -85.77 117.27 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 122.782 0.433 . . . . 50.43 110.891 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.502 ' HB2' ' HA ' ' A' ' 56' ' ' ILE . 7.1 mpt_? -99.19 122.87 42.97 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.113 0.565 . . . . 75.430000000000007 109.515 169.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -93.31 114.19 26.58 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 106.657 -1.609 . . . . 62.210000000000001 106.657 155.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.477 HG12 HD13 ' A' ' 63' ' ' LEU . 84.0 t -116.4 118.01 57.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 107.282 -1.377 . . . . 72.230000000000004 107.282 173.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -117.09 -18.04 10.15 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.516 1.126 . . . . 75.230000000000004 108.574 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -132.49 152.25 51.61 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.202 1.001 . . . . 63.200000000000003 109.685 -172.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.8 p -66.1 -22.07 66.38 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.297 1.039 . . . . 71.150000000000006 112.957 -175.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.06 -37.25 69.69 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.234 0.613 . . . . 65.319999999999993 109.562 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -67.9 -37.27 81.51 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.154 -0.93 . . . . 61.020000000000003 111.771 -173.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.457 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.0 pp -71.74 -45.68 60.98 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 123.22 0.325 . . . . 74.109999999999999 110.639 -179.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 18.2 ptpt -70.18 -28.31 65.21 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 111.486 0.18 . . . . 72.540000000000006 111.486 -172.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -80.28 -30.75 38.35 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 122.636 0.375 . . . . 70.329999999999998 111.726 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -85.5 -24.26 27.42 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 117.831 0.287 . . . . 53.119999999999997 111.338 176.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.552 ' SD ' HD12 ' A' ' 45' ' ' LEU . 13.7 mmt -65.31 -21.61 66.73 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.283 0.633 . . . . 73.040000000000006 110.997 171.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 95.7 mttt -69.2 -39.89 78.36 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.549 0.74 . . . . 63.009999999999998 110.979 172.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -56.16 -40.82 74.45 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.438 0.695 . . . . 64.239999999999995 110.273 174.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.552 HD12 ' SD ' ' A' ' 42' ' ' MET . 61.1 mt -68.66 -44.44 74.08 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.292 -1.322 . . . . 64.129999999999995 110.519 177.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.65 -28.25 68.96 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.643 0.777 . . . . 65.219999999999999 112.328 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -81.1 -53.26 6.55 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.872 0.469 . . . . 41.439999999999998 111.5 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -89.43 137.06 32.66 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.922 0.489 . . . . 71.219999999999999 110.773 -174.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -74.46 -64.75 0.96 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.003 0.814 . . . . 75.420000000000002 112.308 -168.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -147.48 95.14 2.48 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.255 -0.646 . . . . 74.409999999999997 109.255 -176.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -122.29 -176.19 3.3 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.203 -1.036 . . . . 73.430000000000007 108.203 171.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -52.12 140.28 21.24 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.545 0.738 . . . . 73.219999999999999 111.864 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 148.52 47.74 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.304 0.573 . . . . 64.549999999999997 111.421 -176.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 54' ' ' ILE . 3.4 mp -109.99 146.46 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 114.648 -1.16 . . . . 54.219999999999999 109.089 -169.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.597 HD22 HG21 ' A' ' 22' ' ' VAL . 6.4 tt -113.13 118.46 34.78 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.613 -0.884 . . . . 65.549999999999997 108.613 175.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.502 ' HA ' ' HB2' ' A' ' 30' ' ' ARG . 20.0 mm -97.92 137.14 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 108.211 -1.033 . . . . 74.239999999999995 108.211 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.474 HG21 HG23 ' A' ' 15' ' ' ILE . 61.1 mt -116.57 133.43 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 107.339 -1.356 . . . . 71.150000000000006 107.339 165.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.1 t -137.26 123.43 20.46 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 108.355 -0.98 . . . . 71.219999999999999 108.355 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -70.11 -35.32 74.03 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 124.084 0.865 . . . . 75.540000000000006 110.224 -178.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.404 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 27.1 t70 -99.3 150.14 22.41 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.081 0.953 . . . . 72.439999999999998 112.207 -173.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -78.71 -37.88 40.42 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.339 1.056 . . . . 65.209999999999994 111.764 -176.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -66.97 -32.53 73.83 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.171 0.588 . . . . 74.140000000000001 109.942 -176.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.477 HD13 HG12 ' A' ' 32' ' ' VAL . 57.4 mt -65.77 -43.0 90.16 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 124.088 0.867 . . . . 71.25 110.188 177.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 8' ' ' ASN . 88.7 mt -53.61 -52.05 61.09 Favored 'General case' 0 C--N 1.364 1.207 0 O-C-N 124.256 0.972 . . . . 72.010000000000005 110.017 177.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -56.82 -45.41 82.3 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.665 1.228 . . . . 70.010000000000005 111.232 -175.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -56.16 -50.19 71.85 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 123.822 0.701 . . . . 74.019999999999996 111.239 176.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.514 ' HB2' HD21 ' A' ' 6' ' ' LEU . 33.5 mtt -61.68 -49.45 76.47 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 115.605 -0.725 . . . . 75.299999999999997 111.29 -178.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 79.9 mt -53.12 -38.01 62.26 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.959 0.904 . . . . 41.200000000000003 111.286 -176.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -76.51 -34.5 58.59 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.925 -1.034 . . . . 73.239999999999995 112.149 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.32 -52.98 33.83 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.739 0.416 . . . . 73.540000000000006 110.339 174.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.482 HG23 ' HB2' ' A' ' 76' ' ' TYR . 61.3 mt -56.8 -30.5 33.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 125.66 1.584 . . . . 72.129999999999995 111.289 178.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.3 t -55.53 -51.84 65.68 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.014 0.925 . . . . 71.420000000000002 110.888 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.86 -6.78 57.93 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 112.212 0.449 . . . . 72.430000000000007 112.212 176.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 71' ' ' ILE . 80.2 mt -76.05 -21.42 56.82 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.267 -0.642 . . . . 72.510000000000005 109.267 170.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.17 4.09 74.96 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-N 115.909 -0.587 . . . . 54.310000000000002 113.957 173.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.482 ' HB2' HG23 ' A' ' 71' ' ' ILE . 8.5 m-30 -80.95 159.96 24.77 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 117.078 0.439 . . . . 74.25 110.455 -176.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -71.05 115.62 10.4 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 108.362 -0.977 . . . . 62.409999999999997 108.362 174.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.3 t -88.51 106.5 16.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 N-CA-C 108.579 -0.897 . . . . 73.299999999999997 108.579 -174.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -114.66 137.97 51.26 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 106.992 -1.484 . . . . 73.200000000000003 106.992 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.493 HD22 HD11 ' A' ' 68' ' ' LEU . 51.7 tp -134.35 148.03 50.64 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 108.02 -1.104 . . . . 74.409999999999997 108.02 -177.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.553 HD23 HG13 ' A' ' 7' ' ' ILE . 43.4 tp -142.93 141.28 31.44 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 106.806 -1.554 . . . . 74.129999999999995 106.806 177.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.59 HD13 ' HB3' ' A' ' 90' ' ' LEU . 1.1 pp -147.24 146.38 29.77 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.849 0.46 . . . . 70.439999999999998 110.801 176.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.63 140.03 23.4 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 124.657 1.183 . . . . 71.310000000000002 108.137 176.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.47 ' N ' HD11 ' A' ' 90' ' ' LEU . 23.2 t70 -164.76 165.63 20.54 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.34 0.656 . . . . 70.239999999999995 110.166 -179.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -57.53 -55.18 38.18 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.614 1.565 . . . . 74.120000000000005 110.768 170.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.06 92.55 8.32 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 108.584 -0.895 . . . . 72.140000000000001 108.584 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -80.11 -6.55 57.88 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 115.785 -0.643 . . . . 73.299999999999997 111.354 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -72.91 -27.88 62.14 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.723 -0.611 . . . . 64.25 110.516 176.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -74.93 -37.06 62.11 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.971 0.508 . . . . 63.439999999999998 110.427 169.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.59 ' HB3' HD13 ' A' ' 82' ' ' LEU . 75.2 mt -64.9 -42.31 94.86 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.255 0.622 . . . . 53.420000000000002 112.497 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.05 -33.11 71.53 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.739 0.416 . . . . 72.439999999999998 110.712 -178.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -63.95 -47.75 79.23 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.701 1.2 . . . . 70.409999999999997 110.749 175.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.423 ' O ' HG12 ' A' ' 97' ' ' ILE . 60.4 t80 -65.78 -48.06 73.05 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.013 0.925 . . . . 74.319999999999993 110.073 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.446 ' HG3' HG22 ' A' ' 104' ' ' VAL . 19.7 ttpt -56.99 -53.35 59.06 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.844 1.258 . . . . 71.409999999999997 112.391 -174.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -61.47 -28.95 69.65 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.905 0.706 . . . . 73.140000000000001 112.905 -173.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 33.3 mmtp -72.0 -37.49 69.82 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.657 -0.701 . . . . 55.340000000000003 110.207 176.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 93' ' ' PHE . 45.0 mm -73.36 -35.51 46.41 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.42 0 C-N-CA 124.169 0.988 . . . . 64.530000000000001 111.913 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -55.05 -49.45 71.56 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.483 0.713 . . . . 74.439999999999998 111.693 176.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 91.9 p -65.2 -19.58 66.04 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.005 -0.998 . . . . 64.549999999999997 112.319 -177.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 75.1 mm-40 -76.97 -16.73 59.25 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.284 0.634 . . . . 74.150000000000006 111.52 177.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.96 9.67 48.18 Favored Glycine 0 C--N 1.347 1.183 0 O-C-N 123.66 0.6 . . . . 72.109999999999999 112.967 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -95.5 140.87 29.73 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.214 0.606 . . . . 74.0 109.848 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -78.15 126.15 30.39 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.758 -0.83 . . . . 75.140000000000001 108.758 173.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.446 HG22 ' HG3' ' A' ' 94' ' ' LYS . 2.1 p -138.95 120.04 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 123.063 0.545 . . . . 64.329999999999998 110.464 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -100.31 123.28 44.35 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 123.098 0.559 . . . . 75.200000000000003 109.504 -178.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.495 ' HA ' HD12 ' A' ' 82' ' ' LEU . 23.0 ttpp -102.13 121.46 42.26 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 108.839 -0.801 . . . . 75.209999999999994 108.839 176.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 31.0 m -133.77 163.35 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.559 0.744 . . . . 63.329999999999998 109.123 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 21.2 m -109.49 -52.12 2.8 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 123.763 0.825 . . . . 72.430000000000007 109.247 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.559 ' HB2' ' HG2' ' A' ' 112' ' ' GLU . 7.9 m-20 -74.26 143.18 45.18 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.227 -0.897 . . . . 60.100000000000001 110.792 -173.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.6 ' HB3' HD13 ' A' ' 14' ' ' LEU . 41.7 m-20 -62.65 -35.91 81.16 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.105 -1.407 . . . . 72.030000000000001 112.085 177.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.0 -33.61 73.95 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.637 0.775 . . . . 65.310000000000002 111.368 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.559 ' HG2' ' HB2' ' A' ' 109' ' ' ASP . 12.8 mm-40 -69.7 -38.64 77.04 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 122.884 0.474 . . . . 65.439999999999998 109.935 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.87 -45.57 88.85 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.722 0.639 . . . . 73.109999999999999 111.367 176.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.561 HD11 ' HE2' ' A' ' 17' ' ' LYS . 89.7 mt -61.49 -38.07 85.98 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.506 0.722 . . . . 63.039999999999999 110.83 176.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.7 tmmt? -65.34 -39.21 92.1 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.817 0.847 . . . . 65.010000000000005 110.865 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.494 ' HA ' ' HG2' ' A' ' 119' ' ' GLU . 45.4 mm -67.35 -38.35 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 O-C-N 123.571 0.544 . . . . 74.109999999999999 110.452 177.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.416 HG21 HG23 ' A' ' 18' ' ' ILE . 67.7 t -60.72 -45.84 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.481 0.712 . . . . 42.109999999999999 110.342 174.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.52 -48.97 65.51 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.466 0.706 . . . . 54.210000000000001 111.466 -177.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.494 ' HG2' ' HA ' ' A' ' 116' ' ' ILE . 11.5 pt-20 -65.62 -26.75 67.96 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 119.205 -0.426 . . . . 61.420000000000002 111.487 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -58.83 -35.03 72.23 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 118.156 0.435 . . . . 75.129999999999995 110.582 173.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.493 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 14.8 mmt -60.58 -29.62 69.3 Favored 'General case' 0 CA--C 1.558 1.25 0 C-N-CA 122.76 0.424 . . . . 73.239999999999995 111.686 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 4.7 pt20 . . . . . 0 N--CA 1.484 1.261 0 C-N-CA 123.125 0.57 . . . . 73.430000000000007 112.102 177.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.9 tttt . . . . . 0 C--O 1.242 0.675 0 CA-C-O 121.249 0.547 . . . . 55.450000000000003 110.11 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 2.2 mp0 -119.01 154.7 32.66 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.425 1.09 . . . . 55.399999999999999 108.623 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -118.39 112.58 20.18 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.575 -0.898 . . . . 73.019999999999996 108.575 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.426 HG23 ' HG ' ' A' ' 55' ' ' LEU . 7.4 tt -100.38 124.62 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 109.19 -0.67 . . . . 53.219999999999999 109.19 177.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 mp -107.17 122.34 46.31 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.657 -0.868 . . . . 74.310000000000002 108.657 177.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.64 HG21 HD13 ' A' ' 18' ' ' ILE . 2.5 mp -101.15 129.45 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 108.195 -1.039 . . . . 73.540000000000006 108.195 174.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.654 ' HB2' HD11 ' A' ' 64' ' ' LEU . 7.1 t-20 -106.72 115.54 30.37 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.15 -1.055 . . . . 64.109999999999999 108.15 170.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.568 HG23 HG12 ' A' ' 15' ' ' ILE . 1.8 t -139.03 112.11 7.97 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 123.745 0.653 . . . . 75.5 109.408 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -84.99 -18.41 34.55 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 115.242 -0.89 . . . . 74.319999999999993 109.947 173.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.484 ' O ' HG13 ' A' ' 15' ' ' ILE . 48.7 t-20 -72.63 105.26 4.18 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 108.516 -0.92 . . . . 71.140000000000001 108.516 178.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -54.95 -46.44 74.99 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.721 1.208 . . . . 73.299999999999997 111.894 -172.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -65.65 -40.86 92.91 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 114.877 -1.056 . . . . 71.450000000000003 110.731 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 110' ' ' ASP . 39.3 tp -64.18 -37.41 87.35 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.462 0.705 . . . . 74.299999999999997 111.144 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.582 HG22 ' HE3' ' A' ' 19' ' ' LYS . 14.2 mt -54.89 -47.23 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 CA-C-O 121.148 0.499 . . . . 73.129999999999995 109.878 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -59.4 -46.98 87.19 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 114.595 -1.184 . . . . 74.310000000000002 111.295 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -64.01 -42.06 97.26 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.936 0.894 . . . . 74.420000000000002 111.647 -176.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.64 HD13 HG21 ' A' ' 7' ' ' ILE . 77.8 mt -58.93 -50.54 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.326 0.651 . . . . 63.310000000000002 109.398 177.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.582 ' HE3' HG22 ' A' ' 15' ' ' ILE . 98.1 mttt -52.53 -39.46 61.4 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 124.109 0.881 . . . . 71.530000000000001 112.444 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -64.76 -46.51 81.85 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.4 0.437 . . . . 71.329999999999998 110.258 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -62.25 -37.83 86.92 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.544 0.737 . . . . 63.119999999999997 111.977 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 18' ' ' ILE . 58.9 t -65.23 -36.3 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.302 1.041 . . . . 71.510000000000005 110.653 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.03 -42.15 94.61 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.865 -0.607 . . . . 60.450000000000003 110.0 174.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -67.4 -30.23 69.95 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.109 0.564 . . . . 73.299999999999997 111.164 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -78.92 -21.11 47.82 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.592 0.757 . . . . 72.109999999999999 111.013 177.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.06 22.6 54.58 Favored Glycine 0 C--N 1.345 1.063 0 CA-C-N 116.497 -0.32 . . . . 65.120000000000005 113.025 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.474 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 3.4 m-85 -97.0 158.51 15.39 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.919 0.888 . . . . 61.509999999999998 109.707 175.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.528 ' HB2' HG23 ' A' ' 54' ' ' ILE . 1.4 mp0 -82.67 112.66 19.74 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.784 -0.821 . . . . 73.409999999999997 108.784 -177.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.3 t -70.4 99.82 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 109.185 -0.672 . . . . 75.530000000000001 109.185 173.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.517 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 0.7 OUTLIER -119.97 107.16 12.77 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 107.631 -1.248 . . . . 65.430000000000007 107.631 178.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -123.88 117.1 24.08 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 121.466 0.651 . . . . 72.230000000000004 111.906 -170.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.63 HG21 ' SD ' ' A' ' 67' ' ' MET . 54.7 t -79.5 129.88 36.91 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 C-N-CA 125.408 1.483 . . . . 71.010000000000005 110.616 175.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -133.72 15.46 3.99 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.126 0.57 . . . . 75.219999999999999 110.434 173.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -161.01 152.83 19.64 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.898 0.879 . . . . 74.409999999999997 110.476 -176.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.9 m -65.69 -35.74 81.63 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.476 1.111 . . . . 75.25 113.03 -174.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.479 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 5.2 m-20 -83.15 -19.24 37.01 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.804 0.442 . . . . 72.010000000000005 111.177 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 18.5 mm-40 -72.61 -36.68 68.13 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.384 -0.371 . . . . 74.450000000000003 111.077 174.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.491 ' HB3' HG11 ' A' ' 32' ' ' VAL . 1.9 pp -64.66 -41.53 96.04 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 118.147 0.431 . . . . 70.030000000000001 111.023 -174.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 17.2 ptpt -69.83 -36.57 75.7 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.768 -0.651 . . . . 75.400000000000006 111.19 -173.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 22.9 ptmt -75.47 -26.11 57.94 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.177 0.591 . . . . 74.540000000000006 110.935 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.41 ' OE1' ' HG3' ' A' ' 30' ' ' ARG . 37.1 mt-10 -77.66 -32.64 53.32 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.995 0.918 . . . . 71.239999999999995 111.054 174.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.406 ' HG3' HD12 ' A' ' 70' ' ' LEU . 34.6 mmt -72.27 -28.83 63.37 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.013 0.525 . . . . 44.149999999999999 111.329 175.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 98.2 mttt -62.89 -37.38 86.71 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.75 0.42 . . . . 74.239999999999995 110.606 174.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -61.64 -27.4 68.64 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.974 0.91 . . . . 73.439999999999998 113.016 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.438 ' HB3' ' HE2' ' A' ' 76' ' ' TYR . 76.5 mt -73.01 -34.83 66.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 122.821 0.448 . . . . 74.329999999999998 110.726 175.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.61 -33.13 53.85 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.722 0.809 . . . . 64.109999999999999 111.351 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -77.92 -48.25 16.78 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.022 0.929 . . . . 72.430000000000007 110.867 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -104.84 116.3 31.77 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.046 0.938 . . . . 64.120000000000005 108.525 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -101.34 -66.19 0.93 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.086 0.554 . . . . 72.200000000000003 110.678 -175.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -91.67 98.11 11.44 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.642 0.777 . . . . 73.400000000000006 111.061 -168.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.53 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -171.06 -179.72 2.82 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.323 1.049 . . . . 63.210000000000001 109.939 173.064 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.36 144.11 56.75 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 121.194 0.521 . . . . 74.219999999999999 110.119 176.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 40.1 pttt -67.01 157.24 33.96 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.908 -1.042 . . . . 75.409999999999997 112.667 -174.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.53 HD11 ' CZ ' ' A' ' 51' ' ' PHE . 2.9 mp -109.28 143.04 20.21 Favored 'Isoleucine or valine' 0 C--O 1.245 0.821 0 CA-C-N 114.693 -1.139 . . . . 42.219999999999999 108.715 -168.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.543 HD22 HG21 ' A' ' 22' ' ' VAL . 9.0 tt -104.78 117.03 33.05 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.462 -0.94 . . . . 74.209999999999994 108.462 174.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 18.4 mm -97.23 137.06 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 123.668 0.787 . . . . 70.140000000000001 109.078 177.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 56.0 mt -116.49 147.98 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 107.64 -1.245 . . . . 71.129999999999995 107.64 167.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.5 t -146.02 146.14 30.86 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 123.765 0.826 . . . . 62.420000000000002 109.019 174.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -94.59 -5.07 46.65 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.704 -0.68 . . . . 71.239999999999995 112.242 -175.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -144.36 153.37 41.9 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.16 0.505 . . . . 73.200000000000003 111.927 -176.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HA ' HD12 ' A' ' 64' ' ' LEU . 47.2 mmtm -68.7 -32.56 72.45 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.622 1.169 . . . . 74.109999999999999 112.552 -177.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.02 -35.51 80.08 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.957 0.503 . . . . 64.519999999999996 110.682 -177.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.557 HD13 HG12 ' A' ' 32' ' ' VAL . 49.3 mt -73.56 -42.54 61.52 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-N 115.426 -0.806 . . . . 74.510000000000005 109.319 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.654 HD11 ' HB2' ' A' ' 8' ' ' ASN . 95.4 mt -52.79 -57.34 10.51 Favored 'General case' 0 C--N 1.361 1.072 0 O-C-N 124.192 0.933 . . . . 74.439999999999998 110.041 173.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -49.77 -48.91 50.13 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.057 1.343 . . . . 61.420000000000002 111.467 -171.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -59.86 -54.63 43.98 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.085 -0.962 . . . . 51.420000000000002 112.063 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.63 ' SD ' HG21 ' A' ' 32' ' ' VAL . 77.9 mtm -61.81 -46.74 88.19 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 123.505 0.503 . . . . 65.540000000000006 111.913 -176.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.484 HD13 HD12 ' A' ' 97' ' ' ILE . 83.9 mt -50.15 -42.75 51.42 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.799 1.24 . . . . 74.010000000000005 111.494 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -72.49 -44.49 62.2 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.36 -0.836 . . . . 74.329999999999998 111.402 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.406 HD12 ' HG3' ' A' ' 42' ' ' MET . 88.6 mt -61.94 -48.76 78.99 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.979 0.512 . . . . 73.340000000000003 111.387 -177.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 80.3 mt -58.17 -33.06 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 C-N-CA 125.014 1.325 . . . . 73.140000000000001 111.759 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -60.7 -50.4 73.64 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.595 0.758 . . . . 73.010000000000005 111.056 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.9 -6.77 58.68 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 112.187 0.44 . . . . 63.340000000000003 112.187 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.4 HD13 ' HB2' ' A' ' 45' ' ' LEU . 83.5 mt -73.61 -26.66 60.9 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 109.404 -0.591 . . . . 74.109999999999999 109.404 165.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.26 59.93 1.52 Allowed Glycine 0 C--N 1.347 1.146 0 CA-C-N 115.967 -0.56 . . . . 45.439999999999998 111.875 173.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.438 ' HE2' ' HB3' ' A' ' 45' ' ' LEU . 39.6 m-85 -131.29 161.33 32.56 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.167 0.987 . . . . 74.109999999999999 109.226 173.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -80.62 112.86 18.38 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 108.166 -1.05 . . . . 64.319999999999993 108.166 174.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.3 t -89.66 118.5 35.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 115.782 -0.645 . . . . 51.229999999999997 109.924 -170.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -113.06 143.55 44.14 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.052 -1.092 . . . . 71.439999999999998 108.052 175.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.1 tp -135.34 147.79 49.24 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.351 1.06 . . . . 75.030000000000001 108.716 177.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.5 tp -147.16 114.06 6.12 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 107.17 -1.418 . . . . 74.120000000000005 107.17 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 106' ' ' LYS . 1.0 OUTLIER -119.73 145.92 46.11 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.003 0.521 . . . . 65.340000000000003 110.89 -176.58 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.07 143.28 40.41 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 123.192 0.597 . . . . 60.130000000000003 109.867 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -168.1 162.06 12.88 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.816 0.846 . . . . 74.109999999999999 108.958 168.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -68.22 -30.73 69.86 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 122.948 0.499 . . . . 75.129999999999995 111.117 176.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -88.41 120.0 29.37 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 107.675 -1.231 . . . . 75.150000000000006 107.675 170.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.601 ' HG2' ' HD3' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -89.3 -25.1 21.83 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.814 1.246 . . . . 72.439999999999998 111.111 -174.349 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.453 ' O ' ' HG3' ' A' ' 92' ' ' GLU . 17.0 m120 -80.98 -30.43 35.08 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 112.735 0.643 . . . . 74.040000000000006 112.735 -172.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -69.3 -32.99 72.5 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.172 0.511 . . . . 74.219999999999999 109.788 172.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.453 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.8 mt -64.66 -38.06 89.7 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.065 -0.97 . . . . 54.43 111.428 177.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.48 ' HB3' ' NZ ' ' A' ' 106' ' ' LYS . 11.6 pt-20 -75.52 -29.88 59.6 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 123.225 0.328 . . . . 72.120000000000005 111.502 -178.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 88' ' ' ASN . 51.1 mt-10 -67.49 -40.98 85.23 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 123.02 0.528 . . . . 70.340000000000003 110.716 178.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.492 ' O ' HG12 ' A' ' 97' ' ' ILE . 65.6 t80 -69.48 -43.75 72.54 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.134 -0.485 . . . . 74.319999999999993 109.843 172.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -62.08 -44.24 97.09 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.701 0.8 . . . . 71.239999999999995 112.613 -172.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.02 -32.08 70.55 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.089 0.556 . . . . 61.450000000000003 111.439 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -64.56 -41.81 96.08 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.748 0.819 . . . . 73.109999999999999 110.467 173.533 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 93' ' ' PHE . 27.4 mm -74.04 -40.84 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 124.105 0.962 . . . . 72.450000000000003 111.053 -175.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.39 -31.19 71.82 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.644 1.178 . . . . 72.319999999999993 111.222 171.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.7 t -67.7 -34.26 76.53 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.207 0.603 . . . . 60.509999999999998 110.155 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 86.5 mm-40 -77.54 -21.34 52.76 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.339 0.656 . . . . 54.43 110.83 175.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.02 6.78 61.57 Favored Glycine 0 C--N 1.344 1.008 0 CA-C-O 119.648 -0.529 . . . . 54.329999999999998 113.718 175.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.46 ' HB2' HG22 ' A' ' 97' ' ' ILE . 8.9 m-85 -75.17 142.21 43.55 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 109.335 -0.617 . . . . 74.430000000000007 109.335 -178.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -74.13 88.08 1.93 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.356 0.663 . . . . 71.340000000000003 109.761 -178.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.3 p -101.97 139.62 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 123.448 0.699 . . . . 74.099999999999994 110.451 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -118.64 144.03 46.43 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 125.256 1.422 . . . . 71.439999999999998 108.812 175.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.601 ' HD3' ' HG2' ' A' ' 87' ' ' GLU . 30.6 ttmt -115.75 138.24 51.32 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.21 0.604 . . . . 71.409999999999997 109.581 174.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.8 m -143.57 -178.26 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.829 0 C-N-CA 124.329 1.051 . . . . 64.209999999999994 108.87 172.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 52.3 m -133.79 -48.21 0.81 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.361 0.664 . . . . 75.200000000000003 109.782 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -84.21 156.26 22.12 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.634 -0.712 . . . . 74.549999999999997 111.42 -172.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.431 ' HA ' HD22 ' A' ' 14' ' ' LEU . 8.7 t70 -51.85 -53.73 37.1 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.358 1.463 . . . . 64.530000000000001 111.267 176.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 11.0 pt-20 -62.94 -38.79 92.43 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.585 0.553 . . . . 74.230000000000004 111.116 -173.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.91 -36.97 85.69 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.525 0.73 . . . . 72.329999999999998 111.205 -175.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.97 81.03 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.742 -0.663 . . . . 73.420000000000002 110.663 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.36 -33.53 75.72 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.266 0.626 . . . . 73.230000000000004 111.375 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 111' ' ' GLU . 68.1 mttm -60.08 -52.23 66.24 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.474 0.71 . . . . 74.129999999999995 110.473 177.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.408 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 25.3 mt -74.82 -24.45 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 O-C-N 123.912 0.758 . . . . 74.430000000000007 112.052 -172.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 62.1 t -53.51 -43.74 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 N-CA-C 109.641 -0.503 . . . . 75.019999999999996 109.641 166.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -76.74 -38.26 54.54 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.935 -0.575 . . . . 71.420000000000002 111.562 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 17.5 mm-40 -64.01 -25.76 68.27 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.78 0.432 . . . . 73.219999999999999 112.121 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.442 ' HD2' ' SD ' ' A' ' 121' ' ' MET . 65.7 t80 -56.92 -47.61 80.19 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.849 0.46 . . . . 73.540000000000006 110.648 169.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.474 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 13.3 mmt -56.5 -29.49 61.88 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.725 1.265 . . . . 73.049999999999997 112.041 -169.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 . . . . . 0 CA--C 1.556 1.192 0 C-N-CA 123.058 0.543 . . . . 74.340000000000003 111.668 173.86 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 80.3 tttt . . . . . 0 C--O 1.238 0.47 0 N-CA-C 108.31 -0.996 . . . . 75.239999999999995 108.31 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.449 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 3.4 mp0 -88.89 139.86 30.02 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 114.683 -1.144 . . . . 65.530000000000001 109.887 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.403 ' HB3' HD13 ' A' ' 71' ' ' ILE . 4.5 mm? -119.52 109.9 16.26 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 107.382 -1.34 . . . . 63.329999999999998 107.382 175.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.414 HG23 ' HG ' ' A' ' 55' ' ' LEU . 8.7 tt -105.59 131.3 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 C-N-CA 123.576 0.75 . . . . 74.310000000000002 109.119 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -111.74 119.87 40.08 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 107.999 -1.111 . . . . 73.140000000000001 107.999 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.466 HG21 HD13 ' A' ' 18' ' ' ILE . 2.1 mp -99.2 126.43 52.48 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.518 0 N-CA-C 108.284 -1.006 . . . . 70.209999999999994 108.284 176.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.642 ' HB2' HD11 ' A' ' 64' ' ' LEU . 6.6 t-20 -105.52 116.65 32.3 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 108.037 -1.098 . . . . 72.209999999999994 108.037 173.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.597 HG23 HG12 ' A' ' 15' ' ' ILE . 1.6 t -145.72 122.1 10.96 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.075 0.55 . . . . 72.040000000000006 110.02 175.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -100.99 -2.42 31.77 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.749 0.82 . . . . 54.329999999999998 110.403 172.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.495 ' O ' HG13 ' A' ' 15' ' ' ILE . 46.5 t-20 -78.07 98.38 5.74 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 107.86 -1.163 . . . . 71.230000000000004 107.86 173.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -47.06 -43.24 19.84 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 125.747 1.619 . . . . 42.439999999999998 113.119 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.46 -55.75 24.71 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.213 -0.903 . . . . 73.150000000000006 110.982 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.459 ' O ' HG13 ' A' ' 18' ' ' ILE . 52.0 tp -58.37 -36.41 73.45 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.231 0.957 . . . . 72.409999999999997 112.211 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.597 HG12 HG23 ' A' ' 9' ' ' THR . 32.9 mt -55.13 -50.4 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 CA-C-O 121.132 0.492 . . . . 54.409999999999997 110.077 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 mtmp? -64.25 -38.77 92.24 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 114.732 -1.122 . . . . 74.150000000000006 111.242 -179.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -67.16 -39.51 86.51 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.446 0.698 . . . . 70.329999999999998 111.163 -178.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.545 ' O ' HG23 ' A' ' 22' ' ' VAL . 69.3 mt -62.94 -44.92 99.93 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 O-C-N 123.699 0.624 . . . . 64.430000000000007 109.318 176.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.524 ' HE3' HG22 ' A' ' 15' ' ' ILE . 97.3 mttt -52.47 -48.84 65.63 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 123.799 0.687 . . . . 73.120000000000005 111.661 177.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -65.55 -36.87 85.05 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.324 0.65 . . . . 61.530000000000001 111.217 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 48.3 mm-40 -68.37 -38.5 81.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.736 0.814 . . . . 74.040000000000006 112.084 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 18' ' ' ILE . 89.2 t -72.15 -30.77 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.908 0.883 . . . . 73.420000000000002 110.476 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -65.72 -37.74 87.25 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.529 -0.76 . . . . 71.400000000000006 110.17 171.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -69.15 -34.73 75.46 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.235 0.614 . . . . 71.230000000000004 110.607 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 79.0 mm-40 -77.33 -16.87 58.71 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.948 0.499 . . . . 74.140000000000001 110.638 178.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.62 4.95 79.22 Favored Glycine 0 C--N 1.349 1.279 0 C-N-CA 122.888 0.28 . . . . 73.099999999999994 113.551 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.41 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 2.1 m-85 -86.96 155.42 20.2 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.658 0.783 . . . . 71.400000000000006 109.4 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.74 118.05 23.09 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.782 -0.645 . . . . 72.450000000000003 109.73 -173.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.1 t -79.07 114.65 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 109.377 -0.601 . . . . 73.329999999999998 109.377 175.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.467 ' HD2' HG21 ' A' ' 54' ' ' ILE . 93.8 mtt-85 -124.68 105.58 9.43 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 108.186 -1.042 . . . . 75.310000000000002 108.186 168.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -99.49 134.92 41.66 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 121.351 0.596 . . . . 74.019999999999996 110.131 -177.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.501 HG11 ' HB3' ' A' ' 38' ' ' LEU . 78.0 t -109.24 120.64 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 124.659 1.184 . . . . 72.530000000000001 108.662 -175.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -107.56 -15.48 14.59 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.875 0.87 . . . . 72.150000000000006 110.743 -178.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -153.65 164.8 37.66 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.536 0.734 . . . . 74.409999999999997 109.86 -173.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.7 p -58.76 -31.27 68.19 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.823 0.849 . . . . 61.520000000000003 111.483 175.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -77.13 -21.0 54.84 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.597 -0.729 . . . . 74.319999999999993 110.121 -178.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 55.9 mm-40 -77.13 -38.38 52.19 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.94 -0.573 . . . . 72.420000000000002 112.069 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.516 ' O ' ' HG2' ' A' ' 42' ' ' MET . 4.0 pp -70.94 -39.59 72.55 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 119.022 0.828 . . . . 72.120000000000005 110.702 -177.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -37.94 84.05 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.676 0.39 . . . . 72.439999999999998 111.578 -176.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 21.1 ptmt -74.41 -28.84 61.26 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.399 0.68 . . . . 71.010000000000005 110.994 -175.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 5.1 mm-40 -85.35 -27.84 25.61 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.588 0.755 . . . . 52.140000000000001 111.103 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.516 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 85.4 mmm -69.56 -30.71 68.57 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 122.754 0.421 . . . . 65.430000000000007 110.165 173.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -58.08 -49.09 78.12 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 115.3 -0.864 . . . . 62.329999999999998 110.493 172.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.453 ' HG3' ' NH1' ' A' ' 30' ' ' ARG . 75.9 mmtt -56.45 -39.1 72.58 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.068 0.947 . . . . 65.230000000000004 111.969 -177.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.2 mt -68.82 -34.72 75.98 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 114.933 -1.03 . . . . 63.539999999999999 110.976 178.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.69 -41.77 36.86 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.868 0.867 . . . . 75.109999999999999 111.738 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -77.32 -55.06 5.73 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.025 0.53 . . . . 55.439999999999998 111.368 -171.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -71.36 133.21 45.81 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.687 -0.688 . . . . 64.409999999999997 109.556 -177.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -104.4 -63.13 1.24 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.535 0.734 . . . . 63.140000000000001 110.623 -176.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -85.72 92.28 8.55 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.087 0.47 . . . . 73.129999999999995 110.265 -176.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -162.32 168.95 21.4 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.143 0.977 . . . . 70.140000000000001 110.024 174.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -81.25 -169.69 2.39 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.414 0.686 . . . . 72.129999999999995 110.655 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.449 ' HD3' ' HB2' ' A' ' 3' ' ' GLU . 13.1 ptpt -85.74 146.08 26.97 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.206 0.527 . . . . 74.310000000000002 110.068 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.467 HG21 ' HD2' ' A' ' 30' ' ' ARG . 3.3 mp -109.64 142.14 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.835 0.854 . . . . 72.420000000000002 109.285 -174.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.541 HD22 HG21 ' A' ' 22' ' ' VAL . 8.0 tt -97.47 117.15 31.08 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 123.397 0.679 . . . . 73.319999999999993 109.222 175.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.548 HG21 ' SD ' ' A' ' 67' ' ' MET . 31.6 mm -98.38 133.88 39.02 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 123.96 0.904 . . . . 72.230000000000004 109.054 178.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 56.8 mt -111.02 149.17 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 107.163 -1.421 . . . . 73.129999999999995 107.163 167.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.3 t -143.3 131.72 22.21 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.47 1.108 . . . . 73.109999999999999 108.238 174.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -94.18 17.35 12.78 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.047 0.939 . . . . 70.530000000000001 111.038 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -154.25 145.26 22.7 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.797 0.839 . . . . 55.130000000000003 110.216 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -82.72 -27.39 31.19 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.991 0.916 . . . . 73.230000000000004 112.679 -172.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -71.93 -32.15 67.06 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 109.181 -0.674 . . . . 75.420000000000002 109.181 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.483 HD13 HG12 ' A' ' 32' ' ' VAL . 68.2 mt -65.26 -37.64 87.84 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 115.218 -0.901 . . . . 74.340000000000003 110.431 175.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.642 HD11 ' HB2' ' A' ' 8' ' ' ASN . 89.9 mt -57.38 -56.38 22.6 Favored 'General case' 0 C--N 1.366 1.289 0 O-C-N 124.079 0.862 . . . . 73.230000000000004 109.813 175.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -47.77 -53.16 16.15 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.169 1.388 . . . . 75.230000000000004 111.836 -173.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -62.33 -50.7 70.58 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 124.445 1.091 . . . . 74.299999999999997 111.754 178.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.548 ' SD ' HG21 ' A' ' 56' ' ' ILE . 24.0 ttm -62.03 -40.28 95.16 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.093 0.957 . . . . 52.5 111.456 -173.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.449 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 76.9 mt -54.69 -42.81 71.87 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.982 1.313 . . . . 73.340000000000003 111.373 177.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -75.78 -30.09 58.99 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.024 -0.989 . . . . 43.549999999999997 111.221 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.58 -38.42 84.02 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.014 0.526 . . . . 71.329999999999998 110.619 174.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.403 HD13 ' HB3' ' A' ' 4' ' ' LEU . 63.9 mt -72.16 -29.33 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 123.619 0.767 . . . . 73.530000000000001 110.071 176.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.8 t -68.02 -45.93 72.64 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.505 -0.771 . . . . 61.329999999999998 110.36 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -25.13 63.18 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.24 0.216 . . . . 55.329999999999998 111.341 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.86 -47.13 66.7 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 109.424 -0.584 . . . . 52.119999999999997 109.424 171.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.9 70.32 0.99 Allowed Glycine 0 C--N 1.344 1.01 0 CA-C-N 115.719 -0.673 . . . . 73.230000000000004 112.277 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -135.04 160.3 38.77 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.064 0.945 . . . . 71.230000000000004 109.443 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -73.15 115.09 12.07 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.367 -0.975 . . . . 63.43 108.367 171.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.2 t -97.18 115.67 37.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 123.408 0.683 . . . . 72.219999999999999 109.746 -173.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -104.65 143.09 33.55 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 107.666 -1.235 . . . . 72.319999999999993 107.666 172.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.504 HD11 HD13 ' A' ' 64' ' ' LEU . 61.4 tp -140.31 97.37 3.21 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.368 0.667 . . . . 71.120000000000005 109.625 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 40.7 tp -91.51 114.3 26.79 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 107.615 -1.254 . . . . 64.310000000000002 107.615 173.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 pp -120.81 146.97 45.98 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.35 0.523 . . . . 73.019999999999996 111.515 -175.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.433 ' HB3' HG23 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -147.22 157.73 43.7 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 123.988 0.915 . . . . 70.310000000000002 109.469 174.544 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.428 ' N ' HD11 ' A' ' 90' ' ' LEU . 22.6 t70 -161.12 174.57 13.5 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 114.424 -1.262 . . . . 72.120000000000005 108.099 176.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -62.4 -28.43 69.78 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.076 1.35 . . . . 75.129999999999995 111.608 174.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -129.13 134.81 48.21 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.019 0.927 . . . . 74.040000000000006 111.11 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.516 ' HA ' HD12 ' A' ' 90' ' ' LEU . 34.0 tt0 -81.92 -16.29 51.05 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.595 1.158 . . . . 73.129999999999995 112.411 -174.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -62.15 -48.58 79.46 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 122.943 0.497 . . . . 72.200000000000003 110.782 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -70.17 -22.04 63.0 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.328 -0.851 . . . . 71.040000000000006 111.296 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 87' ' ' GLU . 90.7 mt -82.4 -38.63 23.82 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.017 0.927 . . . . 72.010000000000005 112.09 -179.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.04 -35.44 64.33 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 110.008 -0.367 . . . . 71.209999999999994 110.008 -176.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 16.3 pt-20 -74.61 -37.61 62.79 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 116.002 -0.545 . . . . 74.140000000000001 110.406 177.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.549 ' O ' HG12 ' A' ' 97' ' ' ILE . 12.4 t80 -62.45 -51.76 66.24 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 108.919 -0.771 . . . . 53.140000000000001 108.919 176.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -54.06 -47.43 71.66 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.196 0.998 . . . . 70.340000000000003 111.709 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -69.09 -20.18 64.07 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 112.359 0.503 . . . . 75.329999999999998 112.359 -173.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 70.5 mmtt -71.6 -47.86 51.94 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.737 0.78 . . . . 60.439999999999998 109.307 169.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.549 HG12 ' O ' ' A' ' 93' ' ' PHE . 33.3 mm -69.43 -27.02 32.65 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.096 0 CA-C-N 114.291 -1.322 . . . . 74.209999999999994 111.474 -173.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -53.75 -45.05 70.44 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.319 1.047 . . . . 45.130000000000003 111.156 167.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.2 t -72.99 -19.55 61.19 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.779 0.831 . . . . 73.400000000000006 111.455 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -79.7 -19.99 47.58 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.105 0.562 . . . . 62.420000000000002 110.861 173.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.65 24.55 42.03 Favored Glycine 0 C--N 1.351 1.394 0 CA-C-N 115.988 -0.551 . . . . 73.120000000000005 112.875 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.51 ' HB2' HG22 ' A' ' 97' ' ' ILE . 11.1 m-30 -97.28 148.07 23.5 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.875 0.47 . . . . 72.5 109.832 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -78.07 88.22 4.2 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.471 0.653 . . . . 75.519999999999996 109.702 177.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.429 HG11 ' HB ' ' A' ' 97' ' ' ILE . 2.8 p -105.77 121.31 57.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-O 121.618 0.723 . . . . 74.430000000000007 110.502 -176.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -109.92 138.06 46.83 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 124.592 1.157 . . . . 74.349999999999994 109.394 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -111.99 129.83 56.06 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 123.595 0.758 . . . . 75.25 110.359 -175.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.433 HG23 ' HB3' ' A' ' 83' ' ' GLN . 32.7 m -138.37 175.09 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 108.063 -1.088 . . . . 55.109999999999999 108.063 173.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.1 m -141.42 -39.8 0.39 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.159 0.584 . . . . 62.049999999999997 109.76 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.435 ' HB3' ' HG3' ' A' ' 112' ' ' GLU . 13.7 t70 -86.13 156.01 20.53 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.33 -0.85 . . . . 72.310000000000002 110.509 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -53.79 -53.94 45.22 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.591 1.556 . . . . 71.129999999999995 111.962 177.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 9.8 pt-20 -63.2 -39.39 94.51 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 115.648 -0.705 . . . . 71.120000000000005 110.899 -174.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.435 ' HG3' ' HB3' ' A' ' 109' ' ' ASP . 61.5 mt-10 -61.77 -36.22 80.42 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 123.932 0.893 . . . . 73.230000000000004 111.397 -176.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.11 -47.89 82.59 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.656 -0.702 . . . . 64.120000000000005 110.465 176.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.408 HD22 ' HG3' ' A' ' 21' ' ' GLU . 74.0 mt -69.29 -25.28 64.16 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.502 0.721 . . . . 73.030000000000001 111.327 -176.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 111' ' ' GLU . 29.7 mmmt -60.06 -54.85 41.04 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.469 0.708 . . . . 63.340000000000003 109.822 173.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.528 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 12.1 mt -77.75 -23.57 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 115.374 -0.83 . . . . 61.310000000000002 111.875 -173.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 113' ' ' ALA . 78.2 t -56.46 -47.12 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 N-CA-C 109.35 -0.611 . . . . 71.099999999999994 109.35 168.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -71.08 -42.36 69.48 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 116.296 -0.411 . . . . 71.439999999999998 111.201 177.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.528 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 40.2 mt-10 -57.67 -37.05 72.74 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.085 0.554 . . . . 74.329999999999998 111.697 177.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -56.74 -41.26 77.23 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.873 0.469 . . . . 54.039999999999999 110.679 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.41 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 14.6 mmt -62.08 -23.88 66.77 Favored 'General case' 0 CA--C 1.553 1.074 0 O-C-N 123.921 0.763 . . . . 75.230000000000004 111.886 -174.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 20.6 pt20 . . . . . 0 N--CA 1.489 1.49 0 C-N-CA 122.8 0.44 . . . . 75.530000000000001 111.998 173.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? . . . . . 0 N--CA 1.469 0.484 0 N-CA-C 106.686 -1.598 . . . . 73.349999999999994 106.686 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 1.9 mp0 -99.53 137.39 38.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.127 0.571 . . . . 61.009999999999998 110.007 -178.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.441 HD23 HG23 ' A' ' 71' ' ' ILE . 3.8 mm? -118.04 113.11 21.15 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.36 -1.348 . . . . 64.430000000000007 107.36 173.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 tt -103.27 118.6 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 108.73 -0.841 . . . . 74.310000000000002 108.73 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 6' ' ' LEU . 3.9 mp -102.26 118.81 37.68 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.682 -0.859 . . . . 72.319999999999993 108.682 -176.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.679 HG21 HD13 ' A' ' 18' ' ' ILE . 2.2 mp -100.44 121.53 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 107.855 -1.165 . . . . 72.0 107.855 176.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.599 ' HB2' HD11 ' A' ' 64' ' ' LEU . 3.8 t-20 -111.13 112.05 23.57 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.295 -0.631 . . . . 73.239999999999995 109.295 173.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.2 t -146.96 135.4 21.86 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.135 -0.691 . . . . 61.140000000000001 109.135 165.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -76.58 -23.17 53.5 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.391 0.676 . . . . 74.400000000000006 109.793 173.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -68.56 93.26 0.49 Allowed 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 108.583 -0.895 . . . . 73.219999999999999 108.583 -178.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -61.3 -30.86 70.75 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.301 1.04 . . . . 71.409999999999997 112.379 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.52 -42.5 99.55 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.997 0.919 . . . . 72.450000000000003 109.521 176.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 110' ' ' ASP . 67.5 tp -69.7 -41.78 74.94 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 115.027 -0.988 . . . . 65.340000000000003 110.812 176.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.526 HG22 ' HE3' ' A' ' 19' ' ' LYS . 67.2 mt -53.23 -42.0 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 123.678 0.611 . . . . 75.25 110.087 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -61.9 -42.7 99.39 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 124.221 0.95 . . . . 75.420000000000002 111.614 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -64.51 -43.09 95.19 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.911 0.484 . . . . 62.340000000000003 110.392 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.679 HD13 HG21 ' A' ' 7' ' ' ILE . 82.7 mt -61.9 -40.57 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 124.37 1.044 . . . . 60.149999999999999 109.587 178.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.679 ' HG2' HG11 ' A' ' 29' ' ' VAL . 98.9 mttt -53.79 -56.18 19.81 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 124.081 0.863 . . . . 71.219999999999999 109.493 175.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -70.82 -21.05 62.51 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 112.677 0.621 . . . . 72.329999999999998 112.677 -172.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -64.31 -58.58 6.12 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 108.966 -0.753 . . . . 63.210000000000001 108.966 167.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.495 HG13 ' HB2' ' A' ' 27' ' ' TYR . 90.4 t -68.13 -33.97 63.96 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 CA-C-N 114.068 -1.424 . . . . 70.540000000000006 111.845 -170.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.48 -40.34 92.99 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.972 0.909 . . . . 52.5 109.84 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.77 -22.22 46.72 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.398 0.679 . . . . 72.219999999999999 111.051 -179.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -87.89 -6.18 58.2 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.181 0.592 . . . . 61.119999999999997 111.369 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.0 6.43 66.98 Favored Glycine 0 C--N 1.348 1.202 0 N-CA-C 114.224 0.45 . . . . 43.210000000000001 114.224 170.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.495 ' HB2' HG13 ' A' ' 22' ' ' VAL . 2.4 m-85 -93.24 144.62 25.12 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.746 0.818 . . . . 64.109999999999999 109.301 177.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -76.86 133.15 39.4 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.581 -0.526 . . . . 73.150000000000006 109.581 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.679 HG11 ' HG2' ' A' ' 19' ' ' LYS . 20.1 t -96.1 108.84 21.78 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 N-CA-C 108.765 -0.828 . . . . 75.409999999999997 108.765 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.514 ' HB3' ' HA ' ' A' ' 56' ' ' ILE . 11.4 tpp180 -90.5 142.84 27.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.857 -1.164 . . . . 74.239999999999995 107.857 171.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -125.98 137.86 53.71 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.018 -0.734 . . . . 64.349999999999994 109.018 169.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.59 HG12 HD13 ' A' ' 63' ' ' LEU . 98.8 t -127.58 119.32 51.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 107.689 -1.226 . . . . 64.420000000000002 107.689 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -110.21 -16.6 13.72 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.134 0.974 . . . . 75.25 109.341 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -148.2 160.15 43.22 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.094 0.958 . . . . 64.430000000000007 109.472 -176.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m -59.64 -22.59 62.09 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.637 1.175 . . . . 33.219999999999999 112.694 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -68.88 -36.36 77.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.868 0.867 . . . . 75.150000000000006 110.41 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -80.83 -23.51 39.12 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 114.78 -1.1 . . . . 74.319999999999993 112.682 -169.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.505 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.5 pp -80.35 -47.27 14.73 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.39 0.138 . . . . 74.420000000000002 110.731 177.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -70.14 -25.6 63.54 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.937 0.495 . . . . 72.230000000000004 112.246 -171.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -71.72 -40.76 69.24 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 122.768 0.427 . . . . 74.239999999999995 111.138 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.41 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 2.4 pp20? -85.44 -28.23 25.2 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 115.996 -0.547 . . . . 71.209999999999994 110.197 -177.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.434 ' SD ' HD12 ' A' ' 45' ' ' LEU . 11.2 mmt -63.38 -32.03 73.34 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.065 0.946 . . . . 65.420000000000002 111.358 174.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -64.16 -50.11 69.46 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 115.884 -0.598 . . . . 73.049999999999997 109.666 169.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -60.01 -28.28 67.58 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.738 0.815 . . . . 74.010000000000005 112.371 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.615 ' HA ' ' HZ ' ' A' ' 51' ' ' PHE . 84.0 mt -62.17 -42.55 99.37 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.589 0.356 . . . . 72.400000000000006 110.558 174.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.428 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -76.53 -42.19 43.99 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.634 0.774 . . . . 64.230000000000004 111.732 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -71.77 -46.54 58.07 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.948 0.899 . . . . 71.420000000000002 112.117 -169.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.489 ' HB2' ' CE1' ' A' ' 51' ' ' PHE . 40.1 mm-40 -68.48 128.49 36.8 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 109.152 -0.684 . . . . 60.049999999999997 109.152 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -65.33 -54.38 29.75 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.366 1.066 . . . . 61.32 112.607 -167.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -143.5 119.5 10.68 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.082 0.553 . . . . 74.329999999999998 110.102 -175.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.615 ' HZ ' ' HA ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -166.37 171.16 12.29 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 124.234 1.014 . . . . 64.150000000000006 110.087 174.758 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.46 -168.11 1.87 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.04 0.936 . . . . 70.25 112.246 -173.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -97.07 134.05 40.93 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.497 1.119 . . . . 60.350000000000001 110.935 -170.386 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.6 mp -106.87 141.78 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 N-CA-C 109.064 -0.717 . . . . 75.519999999999996 109.064 -172.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 tt -90.83 118.91 30.62 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.828 -0.804 . . . . 64.409999999999997 108.828 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.514 ' HA ' ' HB3' ' A' ' 30' ' ' ARG . 22.3 mm -98.18 137.15 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 N-CA-C 108.881 -0.785 . . . . 64.25 108.881 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.409 HG12 ' HB ' ' A' ' 7' ' ' ILE . 54.0 mt -117.54 140.87 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 107.764 -1.199 . . . . 64.430000000000007 107.764 167.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.2 t -137.29 152.32 49.65 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.531 1.133 . . . . 71.209999999999994 109.163 174.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -95.38 -15.38 23.08 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.394 0.678 . . . . 74.530000000000001 110.906 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.466 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 17.6 t70 -129.76 143.78 50.98 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.355 0.662 . . . . 70.420000000000002 110.814 -170.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -77.73 -31.93 52.5 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.272 1.029 . . . . 73.409999999999997 113.0 -174.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.415 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 84.0 mm-40 -72.74 -21.94 60.94 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 110.453 -0.203 . . . . 70.430000000000007 110.453 177.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.59 HD13 HG12 ' A' ' 32' ' ' VAL . 71.9 mt -70.1 -44.42 69.07 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 122.976 0.51 . . . . 70.340000000000003 109.745 170.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 8' ' ' ASN . 71.5 mt -54.69 -51.26 66.09 Favored 'General case' 0 C--N 1.368 1.393 0 O-C-N 124.115 0.884 . . . . 64.109999999999999 109.445 176.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -52.53 -49.5 64.75 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 125.201 1.563 . . . . 72.120000000000005 111.482 -172.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 5.7 mm-40 -66.54 -41.32 88.91 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 123.703 0.627 . . . . 65.209999999999994 111.18 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 69.5 mtm -63.16 -45.88 89.77 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 118.842 -0.599 . . . . 72.019999999999996 111.872 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.517 HD11 HD22 ' A' ' 80' ' ' LEU . 67.2 mt -52.47 -37.13 56.41 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.914 0.885 . . . . 71.319999999999993 111.201 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -75.87 -38.64 57.72 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 114.761 -1.109 . . . . 75.349999999999994 111.078 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.468 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 90.2 mt -61.89 -52.04 65.71 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.507 0.723 . . . . 74.120000000000005 110.647 176.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.441 HG23 HD23 ' A' ' 4' ' ' LEU . 33.1 mt -55.14 -41.67 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 124.792 1.237 . . . . 75.230000000000004 110.711 177.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.4 t -65.05 -43.83 91.0 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 114.835 -1.075 . . . . 64.409999999999997 111.099 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -16.56 56.26 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.638 0.375 . . . . 50.450000000000003 111.596 -179.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 95.9 mt -74.76 -31.11 61.69 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.567 -0.531 . . . . 62.539999999999999 109.567 169.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.45 25.25 12.44 Favored Glycine 0 C--N 1.343 0.951 0 CA-C-N 115.565 -0.743 . . . . 72.450000000000003 111.752 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.431 ' HE2' ' HB3' ' A' ' 45' ' ' LEU . 23.0 m-30 -99.7 159.18 15.24 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.424 1.09 . . . . 52.049999999999997 110.868 178.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -73.76 122.55 22.58 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.856 0.723 . . . . 71.219999999999999 109.878 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.5 t -90.53 120.69 39.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 123.466 0.707 . . . . 73.530000000000001 109.819 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -130.35 131.74 45.5 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 107.404 -1.332 . . . . 74.120000000000005 107.404 171.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.567 HD11 HD13 ' A' ' 64' ' ' LEU . 41.2 tp -122.94 143.12 50.11 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.051 -1.092 . . . . 70.109999999999999 108.051 178.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.7 tp -145.48 113.93 6.7 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 106.793 -1.558 . . . . 73.340000000000003 106.793 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.74 137.93 53.84 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.97 0.891 . . . . 71.439999999999998 111.2 -176.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.472 ' HG2' ' HA ' ' A' ' 110' ' ' ASP . 0.5 OUTLIER -142.09 129.67 21.43 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 126.079 1.751 . . . . 62.149999999999999 107.397 -179.478 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.562 ' H ' HD11 ' A' ' 90' ' ' LEU . 8.0 m-20 -156.49 159.3 38.49 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.778 -1.193 . . . . 64.349999999999994 107.778 177.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -76.29 -22.71 54.73 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.471 -0.786 . . . . 72.219999999999999 109.683 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -90.86 92.48 8.8 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 123.661 0.784 . . . . 61.520000000000003 108.89 169.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -75.96 -24.26 55.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.987 0.515 . . . . 75.450000000000003 111.418 -177.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -62.2 -37.18 84.32 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.599 0.359 . . . . 73.400000000000006 111.188 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.57 -27.02 55.7 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.783 0.433 . . . . 75.439999999999998 111.212 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.562 HD11 ' H ' ' A' ' 84' ' ' ASP . 94.9 mt -67.36 -51.9 46.61 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.075 0.55 . . . . 74.400000000000006 110.813 176.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.88 -39.8 79.57 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.863 0.865 . . . . 64.010000000000005 111.802 -170.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 14.1 pt-20 -71.8 -36.08 70.17 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 122.787 0.435 . . . . 72.219999999999999 110.958 -176.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -74.81 -41.35 60.12 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.319 0.648 . . . . 75.420000000000002 110.215 176.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.456 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 25.8 ttpt -55.45 -51.16 67.84 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.827 0.851 . . . . 74.430000000000007 111.721 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -61.34 -26.46 67.83 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 124.164 0.915 . . . . 70.099999999999994 111.937 -175.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.488 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 33.3 mmtp -70.65 -40.99 72.73 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.069 0.548 . . . . 73.200000000000003 110.061 175.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 26.0 mm -69.03 -36.57 74.45 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 123.614 0.766 . . . . 65.319999999999993 110.122 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.24 -38.64 87.38 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.61 0.764 . . . . 62.399999999999999 110.832 171.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.0 t -68.35 -34.82 76.78 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.569 0.747 . . . . 75.109999999999999 110.318 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 82.7 mm-40 -72.18 -14.21 61.75 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.342 0.657 . . . . 73.219999999999999 110.831 175.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.53 7.05 72.67 Favored Glycine 0 C--N 1.35 1.318 0 C-N-CA 123.156 0.407 . . . . 53.420000000000002 113.14 175.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -85.96 149.52 25.13 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 123.06 0.544 . . . . 65.439999999999998 110.237 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -74.65 121.72 22.09 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-N 115.623 -0.717 . . . . 74.319999999999993 109.829 178.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.0 p -138.37 133.74 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 C-N-CA 123.905 0.882 . . . . 75.219999999999999 110.306 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -120.07 120.06 35.15 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.119 0.968 . . . . 75.019999999999996 109.622 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.456 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -105.58 135.44 46.98 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.862 -0.792 . . . . 75.5 108.862 178.474 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.478 ' HB ' ' HB2' ' A' ' 112' ' ' GLU . 27.4 m -133.0 148.26 31.43 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 C-N-CA 123.819 0.848 . . . . 73.099999999999994 109.68 178.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 m -81.02 -42.9 20.38 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.388 0.613 . . . . 61.039999999999999 109.745 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.471 ' HB3' ' HG3' ' A' ' 112' ' ' GLU . 4.3 t70 -101.09 151.33 21.94 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 114.953 -1.021 . . . . 55.299999999999997 111.241 -173.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.498 ' HB3' HD13 ' A' ' 14' ' ' LEU . 3.2 m-20 -64.54 -32.87 74.7 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 113.303 -1.771 . . . . 71.25 111.756 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.407 ' HA ' HD12 ' A' ' 114' ' ' LEU . 13.2 pt-20 -71.48 -32.5 68.33 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.578 0.751 . . . . 54.520000000000003 111.58 -178.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.478 ' HB2' ' HB ' ' A' ' 107' ' ' VAL . 37.8 mt-10 -70.03 -31.13 68.62 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.029 0.532 . . . . 72.099999999999994 110.32 -178.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.05 -44.08 97.46 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.761 -0.654 . . . . 63.240000000000002 110.47 172.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 111' ' ' GLU . 70.6 mt -65.27 -32.42 74.08 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.045 0.938 . . . . 43.439999999999998 110.667 -178.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -66.12 -48.19 71.69 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.753 -1.112 . . . . 72.109999999999999 110.488 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 60.3 mt -71.94 -27.15 26.69 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 C-N-CA 123.874 0.869 . . . . 72.219999999999999 111.613 -175.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 113' ' ' ALA . 67.7 t -56.62 -44.2 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 122.977 0.511 . . . . 61.439999999999998 110.494 173.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -71.39 -44.08 65.63 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.33 0.652 . . . . 61.0 110.914 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -59.94 -37.72 80.35 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.539 0.736 . . . . 73.319999999999993 112.22 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -50.67 -48.8 58.35 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.006 0.923 . . . . 65.120000000000005 111.554 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.7 mtt -64.16 -24.83 67.83 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 114.88 -1.055 . . . . 65.200000000000003 113.047 -170.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 . . . . . 0 N--CA 1.483 1.198 0 C-N-CA 123.602 0.761 . . . . 55.32 111.736 177.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tpt . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 120.568 0.223 . . . . 73.510000000000005 110.412 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.503 ' HD3' HD13 ' A' ' 54' ' ' ILE . 23.2 ttmm -140.53 136.81 33.26 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 123.913 0.885 . . . . 71.450000000000003 108.69 179.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.725 ' HG3' ' HB1' ' A' ' 124' ' ' ALA . 0.6 OUTLIER -110.08 145.27 37.39 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.627 0.771 . . . . 74.519999999999996 109.074 -176.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.412 HD11 HD13 ' A' ' 45' ' ' LEU . 4.4 mm? -126.84 115.02 18.69 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.595 1.158 . . . . 75.530000000000001 109.11 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.0 tt -110.36 123.29 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 109.136 -0.69 . . . . 73.109999999999999 109.136 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.493 ' HB3' HD22 ' A' ' 64' ' ' LEU . 5.9 mp -103.36 120.18 40.3 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.132 0.973 . . . . 75.530000000000001 108.436 -178.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.485 HG21 HD13 ' A' ' 18' ' ' ILE . 2.0 mp -100.56 135.02 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 108.319 -0.993 . . . . 62.140000000000001 108.319 175.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -116.05 108.98 16.89 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 107.959 -1.126 . . . . 74.329999999999998 107.959 173.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 t -147.66 137.29 22.64 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 122.779 0.432 . . . . 62.109999999999999 109.912 171.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -92.36 -7.3 48.18 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.334 0.654 . . . . 55.340000000000003 110.891 172.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -80.21 97.2 6.83 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 109.23 -0.656 . . . . 44.340000000000003 109.23 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -44.51 -48.57 10.16 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.578 1.551 . . . . 63.039999999999999 112.96 178.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.25 -36.04 82.91 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.001 -0.999 . . . . 75.409999999999997 111.013 -175.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.589 HD13 ' HB2' ' A' ' 110' ' ' ASP . 49.5 tp -68.0 -42.15 81.15 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 119.311 -0.376 . . . . 73.319999999999993 110.338 176.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.577 HG23 HG21 ' A' ' 57' ' ' ILE . 73.3 mt -51.56 -45.37 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 123.375 0.67 . . . . 64.549999999999997 110.601 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -67.99 -38.19 82.37 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.679 -0.691 . . . . 73.219999999999999 112.071 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HE2' HD11 ' A' ' 114' ' ' LEU . 57.3 mtpt -63.42 -38.01 89.49 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 122.946 0.498 . . . . 74.439999999999998 110.925 177.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.58 ' O ' HG23 ' A' ' 22' ' ' VAL . 87.2 mt -63.83 -49.79 80.41 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 108.452 -0.944 . . . . 70.219999999999999 108.452 177.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.555 ' HE3' HG22 ' A' ' 15' ' ' ILE . 95.5 mttt -52.76 -42.69 65.21 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 124.053 0.845 . . . . 72.510000000000005 111.346 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -57.61 -51.13 70.74 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 123.916 0.76 . . . . 62.350000000000001 110.445 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 33.3 mm-40 -56.92 -43.61 81.6 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 124.007 0.817 . . . . 74.109999999999999 111.776 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.586 HG13 ' HB2' ' A' ' 27' ' ' TYR . 58.8 t -69.51 -33.35 56.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.999 0.919 . . . . 72.0 110.622 -175.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 15.3 mm-40 -73.01 -30.15 63.55 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.204 0.602 . . . . 74.109999999999999 110.892 174.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -69.01 -35.25 76.45 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.264 0.626 . . . . 74.140000000000001 110.197 176.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 61.5 mm-40 -85.67 -26.59 25.87 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.815 -0.63 . . . . 60.0 110.948 -178.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.44 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . 98.2 8.69 54.89 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 115.818 -0.628 . . . . 65.349999999999994 113.683 178.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.586 ' HB2' HG13 ' A' ' 22' ' ' VAL . 2.0 m-85 -76.57 162.47 27.74 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 117.374 0.587 . . . . 62.43 110.384 178.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.604 ' HB2' HG13 ' A' ' 54' ' ' ILE . 19.7 mm-40 -94.54 112.82 24.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.106 0.562 . . . . 72.340000000000003 109.984 -173.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.509 HG11 ' HG2' ' A' ' 19' ' ' LYS . 34.8 t -79.72 124.36 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 C-N-CA 122.847 0.459 . . . . 70.430000000000007 109.878 176.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -131.68 128.57 39.27 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.611 -0.885 . . . . 75.200000000000003 108.611 167.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -92.93 135.95 33.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.198 0.999 . . . . 73.140000000000001 109.857 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.525 HG11 ' HB3' ' A' ' 38' ' ' LEU . 92.1 t -126.79 119.23 52.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 N-CA-C 107.762 -1.199 . . . . 61.450000000000003 107.762 171.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -135.68 15.81 3.37 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.047 0.939 . . . . 60.109999999999999 109.185 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.405 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 20.4 t70 -152.37 146.01 25.01 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 124.27 1.028 . . . . 74.420000000000002 108.837 -173.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.7 p -71.88 -26.2 62.25 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.822 0.849 . . . . 61.200000000000003 112.532 -172.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 30.1 t70 -83.26 -31.11 27.12 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.881 0.473 . . . . 73.519999999999996 110.444 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.474 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 41.0 mm-40 -63.19 -38.35 90.81 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.555 0.576 . . . . 64.409999999999997 112.555 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.525 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.5 pp -65.83 -39.67 91.03 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 111.772 0.286 . . . . 75.25 111.772 -175.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 16.7 ptpt -75.25 -24.34 57.62 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.75 0.42 . . . . 72.219999999999999 110.72 -176.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' ' 37' ' ' GLU . 57.9 mtpt -65.77 -52.83 47.68 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 108.53 -0.915 . . . . 73.439999999999998 108.53 168.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.544 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 41.0 mm-40 -57.9 -44.0 86.47 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 115.58 -0.736 . . . . 74.120000000000005 112.129 -176.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.449 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 33.9 mmt -55.14 -35.41 64.68 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.091 0.556 . . . . 73.450000000000003 111.841 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -75.73 -42.19 51.35 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.787 -0.642 . . . . 73.409999999999997 110.278 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.438 ' HE2' ' N ' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -57.82 -41.14 81.6 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.248 0.619 . . . . 73.430000000000007 110.382 178.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 64.1 mt -65.29 -40.06 93.37 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.332 1.053 . . . . 73.200000000000003 111.06 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.46 -39.92 70.66 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.589 -0.732 . . . . 73.450000000000003 111.239 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -72.82 -35.66 67.35 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.605 0.762 . . . . 73.420000000000002 111.366 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -105.45 111.63 24.41 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.265 0.626 . . . . 73.040000000000006 109.788 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -97.16 -66.7 0.89 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.243 0.617 . . . . 64.510000000000005 110.227 -173.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -81.97 83.35 7.28 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 115.194 -0.912 . . . . 65.340000000000003 110.868 -171.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.467 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 2.2 p90 -167.32 -178.56 4.1 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 125.064 1.346 . . . . 75.329999999999998 107.608 166.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 27' ' ' TYR . 10.3 tp10 -54.5 151.35 7.93 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.471 1.108 . . . . 75.120000000000005 112.816 -175.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.444 ' HD2' ' HG2' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -75.34 147.26 40.25 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.327 0.651 . . . . 44.520000000000003 110.609 174.594 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.604 HG13 ' HB2' ' A' ' 28' ' ' GLN . 2.0 mp -102.32 144.2 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 115.501 -0.772 . . . . 55.020000000000003 110.941 -165.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.581 HD22 HG21 ' A' ' 22' ' ' VAL . 6.1 tt -113.83 116.46 29.36 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.842 1.257 . . . . 65.200000000000003 108.028 173.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 30.5 mm -98.15 129.67 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.213 -1.032 . . . . 45.210000000000001 108.213 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.577 HG21 HG23 ' A' ' 15' ' ' ILE . 56.3 mt -109.45 139.3 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 108.591 -0.892 . . . . 63.420000000000002 108.591 170.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.541 ' HB3' HD21 ' A' ' 64' ' ' LEU . 32.4 t -149.5 163.59 37.38 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.957 0.903 . . . . 72.109999999999999 109.652 174.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -113.7 -13.89 12.64 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.201 1.0 . . . . 73.150000000000006 110.711 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -113.62 132.78 55.62 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.955 0.902 . . . . 71.329999999999998 110.017 -172.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -75.12 -33.28 61.57 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.386 1.074 . . . . 62.020000000000003 112.448 -174.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -64.51 -33.7 76.5 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.696 0.622 . . . . 74.549999999999997 109.929 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.484 HD13 HG12 ' A' ' 32' ' ' VAL . 35.5 mt -66.01 -56.45 11.54 Favored 'General case' 0 C--N 1.356 0.855 0 O-C-N 124.228 0.955 . . . . 42.039999999999999 109.499 176.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 58' ' ' SER . 73.7 mt -53.88 -44.29 70.33 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 114.631 -1.168 . . . . 73.409999999999997 111.506 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -62.75 -35.45 79.83 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 124.702 1.251 . . . . 74.140000000000001 110.789 -175.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.78 -54.99 34.88 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 123.522 0.514 . . . . 74.310000000000002 110.325 169.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.506 ' SD ' ' HB2' ' A' ' 38' ' ' LEU . 3.3 mpp? -63.27 -33.06 74.68 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.944 0.72 . . . . 50.299999999999997 112.944 -173.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 86.1 mt -55.81 -38.02 69.42 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 122.979 0.512 . . . . 64.120000000000005 110.913 175.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -82.81 -39.4 21.79 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.044 0.938 . . . . 74.420000000000002 111.777 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.4 HD13 ' HG3' ' A' ' 42' ' ' MET . 96.7 mt -67.12 -51.07 58.66 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.633 0.773 . . . . 75.209999999999994 110.979 -175.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.09 -31.41 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 124.743 1.217 . . . . 64.340000000000003 110.922 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.2 t -68.29 -29.26 67.99 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.494 0.717 . . . . 52.109999999999999 111.124 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -77.95 -40.43 39.45 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.857 0.863 . . . . 74.200000000000003 110.642 172.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.6 -26.27 68.61 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-N 115.048 -0.978 . . . . 74.010000000000005 110.938 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.58 53.01 2.85 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.62 0.575 . . . . 72.239999999999995 112.751 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -127.24 168.56 14.56 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.623 0.769 . . . . 70.510000000000005 109.824 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -73.29 115.88 13.17 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 108.495 -0.928 . . . . 73.109999999999999 108.495 172.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 44.3 t -89.85 137.76 20.77 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 N-CA-C 108.17 -1.048 . . . . 71.239999999999995 108.17 174.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -143.6 141.43 30.63 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 107.187 -1.412 . . . . 74.340000000000003 107.187 173.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.432 HD22 HD11 ' A' ' 68' ' ' LEU . 42.2 tp -129.35 139.52 51.69 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 108.565 -0.902 . . . . 63.310000000000002 108.565 177.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.0 tp -142.24 126.64 17.72 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 106.142 -1.799 . . . . 61.149999999999999 106.142 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 pp -137.26 145.08 43.11 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.234 0.54 . . . . 50.530000000000001 111.19 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.17 142.1 18.05 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 107.395 -1.335 . . . . 73.219999999999999 107.395 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.465 ' H ' HD11 ' A' ' 90' ' ' LEU . 34.1 t70 -165.05 167.28 18.5 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 109.459 -0.571 . . . . 70.219999999999999 109.459 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -66.02 -29.48 69.85 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.0 1.32 . . . . 74.099999999999994 110.667 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -95.42 99.02 10.99 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.12 0.968 . . . . 70.549999999999997 110.302 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -63.68 -36.7 84.72 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.475 0.71 . . . . 73.230000000000004 111.14 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -59.79 -39.12 83.89 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.007 0.923 . . . . 71.019999999999996 110.573 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -72.93 -30.45 63.89 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.733 -0.667 . . . . 71.230000000000004 111.934 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.465 HD11 ' H ' ' A' ' 84' ' ' ASP . 96.5 mt -68.32 -52.02 38.15 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.138 0.575 . . . . 65.230000000000004 111.081 178.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.31 -36.79 82.23 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.729 0.812 . . . . 65.310000000000002 112.56 -174.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -71.35 -34.36 70.42 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.308 0.243 . . . . 71.299999999999997 111.462 -177.617 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.438 ' O ' HG12 ' A' ' 97' ' ' ILE . 34.7 t80 -71.57 -48.33 49.14 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.84 0.456 . . . . 63.439999999999998 110.151 173.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.53 ' HD2' ' HB2' ' A' ' 106' ' ' LYS . 55.3 tttm -58.84 -46.08 88.56 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.903 0.881 . . . . 73.129999999999995 112.44 -174.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -59.61 -31.19 69.25 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 122.848 0.459 . . . . 70.439999999999998 112.026 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 2.2 mmmp? -72.15 -40.11 68.26 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.47 0.708 . . . . 65.099999999999994 109.982 177.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.453 HG22 ' HB2' ' A' ' 102' ' ' TYR . 31.1 mm -69.65 -33.73 57.98 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.152 0 C-N-CA 123.718 0.807 . . . . 73.319999999999993 110.709 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.94 -32.85 73.58 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.539 0.736 . . . . 71.140000000000001 111.059 171.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.3 t -72.42 -23.61 61.11 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.348 0.659 . . . . 74.430000000000007 110.739 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 78.3 mt-30 -80.31 -20.5 44.16 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.533 0.733 . . . . 63.399999999999999 110.319 170.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.59 38.6 8.1 Favored Glycine 0 C--N 1.357 1.699 0 C-N-CA 123.542 0.591 . . . . 64.340000000000003 113.113 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.453 ' HB2' HG22 ' A' ' 97' ' ' ILE . 69.5 m-85 -110.86 145.8 37.61 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.137 0.575 . . . . 74.230000000000004 110.92 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -68.58 101.77 1.34 Allowed 'General case' 0 CA--C 1.545 0.762 0 O-C-N 124.164 0.915 . . . . 72.439999999999998 109.409 171.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.4 p -124.03 131.2 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 124.609 1.164 . . . . 53.299999999999997 109.741 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -109.12 148.86 30.19 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.461 0.704 . . . . 75.140000000000001 109.313 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.53 ' HB2' ' HD2' ' A' ' 94' ' ' LYS . 28.2 ttpp -133.25 129.69 37.99 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.406 0.683 . . . . 64.400000000000006 109.659 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 32.8 m -140.96 162.37 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 123.25 0.62 . . . . 72.120000000000005 109.98 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.3 m -103.45 -52.63 2.96 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.762 0.825 . . . . 64.0 109.154 -176.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.458 ' HB3' ' HG2' ' A' ' 111' ' ' GLU . 1.9 m-20 -77.85 144.66 36.81 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 124.152 0.981 . . . . 72.140000000000001 110.245 177.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.589 ' HB2' HD13 ' A' ' 14' ' ' LEU . 1.3 p-10 -65.58 -30.14 70.83 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.196 -0.911 . . . . 42.450000000000003 110.928 177.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.458 ' HG2' ' HB3' ' A' ' 109' ' ' ASP . 15.2 pt-20 -62.54 -38.1 88.7 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.555 0.742 . . . . 73.420000000000002 111.471 -178.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.16 -38.55 85.67 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.814 0.846 . . . . 74.120000000000005 110.275 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.449 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -61.63 -42.69 99.25 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 115.289 -0.869 . . . . 72.420000000000002 110.414 175.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.417 HD11 ' HE2' ' A' ' 17' ' ' LYS . 98.0 mt -66.2 -33.79 76.56 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.692 0.797 . . . . 72.219999999999999 111.253 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -62.08 -49.72 74.83 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 123.59 0.557 . . . . 71.549999999999997 109.707 174.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 74.6 mt -70.3 -30.04 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 O-C-N 123.999 0.812 . . . . 60.530000000000001 111.452 -175.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 113' ' ' ALA . 55.2 t -59.28 -47.3 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 N-CA-C 109.372 -0.603 . . . . 74.099999999999994 109.372 170.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -70.15 -38.44 75.47 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.945 0.498 . . . . 75.329999999999998 111.433 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -59.55 -40.57 87.7 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.627 0.771 . . . . 74.430000000000007 111.718 176.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -60.12 -36.52 77.65 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 123.963 0.789 . . . . 62.130000000000003 110.659 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.505 ' HG3' ' HG3' ' A' ' 25' ' ' GLN . 22.9 mmt -57.15 -29.37 63.55 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.736 0.643 . . . . 64.329999999999998 112.736 -175.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -100.78 -36.11 9.21 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.893 0.477 . . . . 62.509999999999998 111.271 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -69.64 -20.86 63.59 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.908 0.883 . . . . 75.439999999999998 112.348 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.725 ' HB1' ' HG3' ' A' ' 3' ' ' GLU . . . -73.06 -29.37 62.91 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.389 0.676 . . . . 71.329999999999998 110.213 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -80.95 57.59 4.82 Favored Glycine 0 C--N 1.353 1.519 0 O-C-N 123.874 0.733 . . . . 75.209999999999994 111.856 174.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.5 m -84.28 157.84 21.42 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 124.003 0.921 . . . . 75.040000000000006 110.26 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.38 86.7 1.14 Allowed 'General case' 0 C--O 1.241 0.644 0 N-CA-C 106.896 -1.52 . . . . 72.109999999999999 106.896 172.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -71.77 91.09 1.12 Allowed 'General case' 0 C--O 1.239 0.527 0 C-N-CA 123.55 0.74 . . . . 72.010000000000005 109.509 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -69.1 94.81 0.69 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 107.162 -1.422 . . . . 75.040000000000006 107.162 172.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -58.55 -39.04 79.11 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.091 1.356 . . . . 73.329999999999998 111.86 -166.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -75.04 70.69 2.06 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 107.506 -1.294 . . . . 71.549999999999997 107.506 169.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -73.33 -19.63 60.98 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 115.029 -0.987 . . . . 74.219999999999999 113.37 -155.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -91.63 67.86 5.53 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 109.029 -0.73 . . . . 73.340000000000003 109.029 173.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 . . . . . 0 CA--C 1.561 1.383 0 C-N-CA 125.43 1.492 . . . . 54.119999999999997 111.526 178.681 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.4 mmm . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 111.521 0.193 . . . . 71.349999999999994 111.521 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -120.17 120.43 36.14 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 108.367 -0.975 . . . . 73.430000000000007 108.367 161.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -96.02 108.9 21.36 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.491 -0.929 . . . . 71.239999999999995 108.491 171.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -93.93 109.39 21.11 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 107.01 -1.478 . . . . 64.409999999999997 107.01 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.0 tt -101.36 119.05 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 108.997 -0.742 . . . . 62.32 108.997 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mp -104.41 122.48 45.58 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.846 -1.168 . . . . 72.120000000000005 107.846 175.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.484 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 3.0 mp -97.71 136.05 29.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 N-CA-C 107.319 -1.363 . . . . 73.230000000000004 107.319 173.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.542 ' HB2' HD11 ' A' ' 64' ' ' LEU . 4.3 t-20 -115.37 124.61 51.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.824 -1.547 . . . . 74.319999999999993 106.824 169.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.446 ' HA ' ' HG3' ' A' ' 83' ' ' GLN . 1.4 t -145.69 139.76 26.78 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.029 0.443 . . . . 53.439999999999998 110.331 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -86.29 -19.26 30.14 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.329 -0.85 . . . . 63.310000000000002 109.582 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -90.37 112.01 23.45 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.226 0.611 . . . . 74.140000000000001 109.901 -176.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -58.19 -46.08 86.44 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.75 1.22 . . . . 73.310000000000002 112.355 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.31 -32.92 70.88 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.011 -0.995 . . . . 74.010000000000005 110.4 -176.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.431 ' O ' HG13 ' A' ' 18' ' ' ILE . 52.6 tp -65.26 -37.95 88.81 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 118.977 -0.535 . . . . 74.25 110.148 177.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.52 HG23 HG21 ' A' ' 57' ' ' ILE . 54.9 mt -50.77 -50.11 24.14 Favored 'Isoleucine or valine' 0 C--N 1.367 1.351 0 O-C-N 123.858 0.724 . . . . 75.200000000000003 109.821 173.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 62.5 mttp -67.61 -36.0 80.01 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 114.617 -1.174 . . . . 62.210000000000001 111.925 -175.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HE2' HD11 ' A' ' 114' ' ' LEU . 61.0 mtpt -66.57 -40.21 88.87 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.953 0.501 . . . . 74.430000000000007 110.386 176.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 22' ' ' VAL . 95.2 mt -62.12 -43.95 98.42 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 CA-C-N 115.357 -0.838 . . . . 75.010000000000005 109.255 175.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.476 ' HE3' HG22 ' A' ' 15' ' ' ILE . 94.9 mttt -54.0 -50.78 65.84 Favored 'General case' 0 C--N 1.358 0.97 0 O-C-N 123.942 0.776 . . . . 72.420000000000002 110.164 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 14.5 mmmm -63.19 -39.58 95.04 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 124.078 0.861 . . . . 74.200000000000003 111.666 -175.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 26.7 mm-40 -51.92 -53.42 41.26 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 121.578 0.704 . . . . 65.420000000000002 110.171 173.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 18' ' ' ILE . 28.1 t -76.78 -22.42 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-N 113.976 -1.466 . . . . 73.510000000000005 111.897 -170.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 64.2 mm-40 -62.04 -46.3 89.77 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.388 0.675 . . . . 73.319999999999993 109.53 171.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -73.96 -20.48 60.34 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.719 -0.673 . . . . 71.299999999999997 111.24 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 6.6 mm-40 -81.02 -16.78 52.42 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 110.394 -0.224 . . . . 72.340000000000003 110.394 173.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.8 27.95 57.78 Favored Glycine 0 C--N 1.346 1.114 0 O-C-N 123.265 0.353 . . . . 74.340000000000003 113.689 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.474 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 2.6 m-85 -96.12 166.07 11.93 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.359 0.664 . . . . 72.430000000000007 109.841 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.478 ' HB2' HG23 ' A' ' 54' ' ' ILE . 0.8 OUTLIER -87.42 115.06 24.58 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.097 -1.075 . . . . 62.450000000000003 108.097 -179.576 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.416 HG11 ' HG2' ' A' ' 19' ' ' LYS . 17.7 t -104.58 114.2 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 122.842 0.457 . . . . 54.229999999999997 110.555 -176.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -125.91 135.68 52.18 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 108.535 -0.913 . . . . 74.510000000000005 108.535 170.202 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -114.1 116.17 28.71 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 108.366 -0.976 . . . . 73.200000000000003 108.366 172.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.646 HG12 HD13 ' A' ' 63' ' ' LEU . 79.6 t -86.76 122.21 38.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 114.901 -1.045 . . . . 63.149999999999999 109.303 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -114.24 2.79 14.92 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.552 0.741 . . . . 73.409999999999997 110.953 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -160.86 152.06 18.96 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.718 0.807 . . . . 71.519999999999996 110.056 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.7 m -62.77 -21.88 66.18 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.906 0.882 . . . . 75.430000000000007 113.19 -175.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -73.24 -26.97 61.33 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.098 0.559 . . . . 63.32 110.215 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.55 ' HB2' HG13 ' A' ' 32' ' ' VAL . 7.9 mm-40 -75.17 -47.8 26.66 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.61 0.764 . . . . 71.420000000000002 111.296 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.572 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.6 pp -64.54 -40.35 95.44 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.344 0.257 . . . . 71.540000000000006 111.546 -174.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -63.39 -30.23 71.39 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 123.35 0.406 . . . . 73.5 111.716 -174.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -55.93 -57.79 10.63 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 123.939 0.774 . . . . 63.030000000000001 110.131 176.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.1 pt-20 -82.56 -27.09 31.83 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 114.122 -1.399 . . . . 52.43 112.651 -169.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.8 mmt -60.64 -38.98 86.6 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 121.083 0.468 . . . . 55.310000000000002 109.757 174.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -64.99 -45.94 83.51 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.228 -0.896 . . . . 74.120000000000005 110.449 172.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -62.44 -25.74 68.13 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 112.77 0.656 . . . . 74.5 112.77 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 84.5 mt -69.89 -34.96 74.23 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 118.099 0.409 . . . . 75.5 110.587 175.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.1 -24.81 65.97 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.634 0.774 . . . . 61.200000000000003 111.886 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -99.2 -55.5 2.67 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.441 0.696 . . . . 73.430000000000007 110.925 -176.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -78.42 108.02 11.47 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.427 0.691 . . . . 71.049999999999997 109.585 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -106.32 -33.27 7.82 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.439 0.696 . . . . 73.140000000000001 111.367 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -88.92 75.27 8.08 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 121.385 0.612 . . . . 72.120000000000005 110.651 -177.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.429 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -174.41 159.41 3.04 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.349 1.46 . . . . 72.120000000000005 107.933 169.418 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.48 171.38 13.87 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.466 0.65 . . . . 64.409999999999997 111.477 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.521 ' HD3' ' H ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -63.1 154.55 30.63 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 114.541 -1.208 . . . . 70.420000000000002 113.072 -179.559 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.478 HG23 ' HB2' ' A' ' 28' ' ' GLN . 3.3 mp -110.12 146.49 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-N 113.899 -1.501 . . . . 74.019999999999996 109.841 -171.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tt -106.11 120.51 41.98 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.674 0.79 . . . . 62.240000000000002 110.181 173.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 37.9 mm -112.67 146.53 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.334 1.053 . . . . 41.030000000000001 110.123 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.52 HG21 HG23 ' A' ' 15' ' ' ILE . 48.3 mt -125.78 157.83 35.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 N-CA-C 107.977 -1.12 . . . . 63.340000000000003 107.977 172.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.6 t -153.84 156.04 36.88 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.138 0.975 . . . . 71.239999999999995 109.304 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -108.0 6.05 26.75 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.635 0.774 . . . . 73.230000000000004 110.468 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -138.65 146.32 41.52 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.999 0.52 . . . . 61.200000000000003 111.692 -175.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -75.13 -39.31 60.61 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.832 1.253 . . . . 75.409999999999997 111.504 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -65.97 -33.88 76.83 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.393 0.677 . . . . 72.140000000000001 110.56 -173.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.646 HD13 HG12 ' A' ' 32' ' ' VAL . 80.9 mt -65.01 -45.3 86.09 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.525 0.73 . . . . 75.129999999999995 110.075 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 8' ' ' ASN . 56.6 mt -56.1 -50.68 70.37 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 114.928 -1.033 . . . . 63.509999999999998 109.626 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -54.36 -45.82 72.85 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 124.665 1.228 . . . . 65.430000000000007 111.313 -175.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -56.14 -56.56 19.37 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.93 0.769 . . . . 75.099999999999994 111.072 174.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 25.4 mtt -59.21 -48.07 82.97 Favored 'General case' 0 C--O 1.211 -0.959 0 O-C-N 124.19 0.932 . . . . 63.229999999999997 111.405 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.545 HD11 HD22 ' A' ' 80' ' ' LEU . 76.1 mt -54.94 -43.8 73.72 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.843 0.857 . . . . 70.519999999999996 111.558 -176.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.81 -35.52 74.88 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.782 0.833 . . . . 75.450000000000003 111.051 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 95.3 mt -70.17 -49.05 54.4 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.025 0.53 . . . . 74.329999999999998 111.279 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 76.7 mt -62.38 -29.31 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 124.571 1.149 . . . . 72.530000000000001 110.401 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.9 t -66.44 -44.04 83.97 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 115.362 -0.835 . . . . 64.120000000000005 110.89 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 14.0 ptmm? -79.19 -20.69 47.75 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 122.36 0.264 . . . . 73.129999999999995 110.815 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 86.2 mt -72.57 -33.95 67.12 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 109.202 -0.666 . . . . 64.310000000000002 109.202 169.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.23 70.89 1.31 Allowed Glycine 0 C--N 1.346 1.088 0 CA-C-N 115.395 -0.821 . . . . 61.219999999999999 111.88 177.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -133.69 171.29 14.33 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.702 0.801 . . . . 74.420000000000002 110.181 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.415 ' HE3' ' HA ' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -76.41 109.7 10.33 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 109.013 -0.736 . . . . 74.219999999999999 109.013 172.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.4 t -92.91 111.14 24.09 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 123.453 0.701 . . . . 75.040000000000006 109.979 -176.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -112.55 144.17 42.47 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.499 1.119 . . . . 73.450000000000003 108.676 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.545 HD22 HD11 ' A' ' 68' ' ' LEU . 66.2 tp -143.23 108.51 5.01 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.388 0.675 . . . . 73.409999999999997 109.738 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.484 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 48.5 tp -102.15 114.45 28.6 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 108.662 -0.866 . . . . 64.450000000000003 108.662 173.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 pp -118.39 145.52 45.11 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.832 -0.542 . . . . 72.299999999999997 111.47 -175.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.446 ' HG3' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -146.64 145.3 30.0 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 124.039 0.935 . . . . 74.420000000000002 109.452 -178.849 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -161.11 169.23 22.78 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 114.8 -1.091 . . . . 64.329999999999998 108.232 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -85.69 1.28 50.05 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.357 0.663 . . . . 74.129999999999995 111.594 -178.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -125.71 149.25 48.66 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.194 0.998 . . . . 65.140000000000001 109.609 175.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -80.88 -48.53 12.23 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.888 0.875 . . . . 72.219999999999999 111.157 -176.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -61.82 -41.83 98.26 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 115.198 -0.91 . . . . 73.310000000000002 111.875 -171.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.14 -28.98 70.02 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.901 0.88 . . . . 52.439999999999998 111.565 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 90.6 mt -81.18 -53.68 6.17 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.475 0.71 . . . . 64.530000000000001 111.756 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -70.76 -25.53 62.94 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 123.536 0.523 . . . . 74.319999999999993 111.829 -170.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.24 -43.25 70.96 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 123.433 0.458 . . . . 71.540000000000006 110.351 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.532 ' O ' HG12 ' A' ' 97' ' ' ILE . 41.4 t80 -71.24 -45.82 62.39 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 108.971 -0.752 . . . . 72.030000000000001 108.971 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -51.31 -54.1 29.39 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.661 1.184 . . . . 71.299999999999997 112.287 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -61.42 -34.78 75.96 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 123.388 0.43 . . . . 73.430000000000007 111.279 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 12.4 mmmm -63.19 -43.81 97.14 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.112 0.565 . . . . 74.040000000000006 110.741 175.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 93' ' ' PHE . 36.1 mm -72.7 -33.34 44.08 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.203 0 C-N-CA 123.396 0.679 . . . . 75.439999999999998 111.267 -177.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -65.26 -34.24 77.88 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.438 0.695 . . . . 71.099999999999994 110.651 169.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.3 t -72.36 -26.91 62.09 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.489 0.716 . . . . 64.409999999999997 110.776 175.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 25.0 mm-40 -76.1 -23.41 54.93 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 109.638 -0.505 . . . . 73.200000000000003 109.638 171.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 104.71 2.41 43.15 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-O 119.658 -0.523 . . . . 61.420000000000002 113.766 173.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.439 ' HB2' HG22 ' A' ' 97' ' ' ILE . 19.2 m-85 -82.32 151.82 26.55 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.042 0.537 . . . . 63.310000000000002 111.483 -174.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -77.08 92.08 3.72 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.208 1.003 . . . . 75.409999999999997 109.634 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.9 p -113.95 130.13 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 121.479 0.656 . . . . 61.43 110.965 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -119.28 148.29 43.31 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.322 1.049 . . . . 51.299999999999997 109.596 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -118.29 152.65 35.35 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.189 0.518 . . . . 74.010000000000005 110.676 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.5 m -145.97 133.78 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 125.135 1.374 . . . . 75.319999999999993 107.464 173.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.4 m -103.61 12.94 34.3 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 121.532 0.682 . . . . 75.120000000000005 110.122 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -131.57 150.81 52.02 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.388 1.075 . . . . 74.439999999999998 110.202 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -69.01 -48.25 63.46 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.878 1.271 . . . . 75.109999999999999 112.493 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.94 -34.74 78.8 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.248 0.619 . . . . 73.109999999999999 111.375 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -68.2 -30.62 69.75 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.451 -0.795 . . . . 72.120000000000005 110.573 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -65.2 -51.1 63.14 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 123.279 0.631 . . . . 73.319999999999993 110.647 176.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.421 HD11 ' HE2' ' A' ' 17' ' ' LYS . 95.8 mt -59.05 -37.68 77.59 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.402 0.681 . . . . 64.540000000000006 110.558 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -66.6 -50.26 63.62 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 114.148 -1.387 . . . . 74.040000000000006 111.224 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 27.1 mt -71.23 -27.69 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 122.481 0.312 . . . . 75.010000000000005 111.159 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 113' ' ' ALA . 38.7 t -58.79 -50.74 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 122.963 0.505 . . . . 53.039999999999999 110.75 173.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.7 ptm85 -78.54 -22.78 46.74 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 116.576 -0.284 . . . . 62.43 111.587 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.56 ' HB3' ' HE2' ' A' ' 123' ' ' LYS . 39.5 mt-10 -65.74 -39.35 91.01 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.957 0.503 . . . . 75.439999999999998 111.138 168.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' A' ' 117' ' ' VAL . 0.5 OUTLIER -49.52 -38.69 31.52 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.429 1.091 . . . . 75.420000000000002 111.3 -177.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 18.8 mmt -52.91 -33.38 50.14 Favored 'General case' 0 CA--C 1.551 0.995 0 O-C-N 124.571 1.17 . . . . 74.25 111.7 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -104.7 -24.83 12.89 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.664 0.786 . . . . 72.420000000000002 111.848 172.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.56 ' HE2' ' HB3' ' A' ' 119' ' ' GLU . 21.2 ttmm -84.89 -24.16 28.61 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 114.033 1.123 . . . . 74.409999999999997 114.033 -164.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -90.98 -32.49 15.93 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 121.138 -0.976 . . . . 64.140000000000001 112.947 -171.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -63.03 -76.72 0.25 Allowed Glycine 0 C--N 1.349 1.263 0 O-C-N 123.847 0.717 . . . . 25.449999999999999 114.42 -170.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.8 t -153.4 108.2 3.15 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 117.076 0.438 . . . . 72.209999999999994 110.741 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.421 HD21 ' O ' ' A' ' 123' ' ' LYS . 2.4 pt? -173.89 174.07 3.12 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.823 1.649 . . . . 54.409999999999997 108.192 170.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.5 87.07 1.58 Allowed 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 121.451 0.643 . . . . 73.340000000000003 110.163 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -144.84 115.88 7.88 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 107.303 -1.369 . . . . 75.510000000000005 107.303 172.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -169.94 129.99 0.97 Allowed 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.756 -0.831 . . . . 74.030000000000001 108.756 -178.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -135.33 96.63 3.52 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.76 0.824 . . . . 72.530000000000001 109.013 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -90.47 65.24 6.07 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 108.059 -1.089 . . . . 63.350000000000001 108.059 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -73.91 140.27 45.52 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 115.193 -0.912 . . . . 73.140000000000001 109.581 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 . . . . . 0 C--O 1.25 1.093 0 O-C-N 124.481 1.113 . . . . 74.140000000000001 111.123 178.51 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptm . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 110.379 -0.23 . . . . 64.519999999999996 110.379 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -132.34 124.35 28.6 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.653 0.781 . . . . 72.239999999999995 109.998 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 4.8 mm-40 -96.57 117.8 31.71 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 107.622 -1.251 . . . . 73.209999999999994 107.622 176.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -108.51 113.32 26.25 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 122.091 -0.381 . . . . 72.400000000000006 110.042 -173.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.0 tt -104.88 121.11 56.4 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.003 0 C-N-CA 123.293 0.637 . . . . 75.200000000000003 109.453 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.25 118.8 37.64 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 108.472 -0.936 . . . . 63.229999999999997 108.472 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.728 HG21 HD13 ' A' ' 18' ' ' ILE . 2.1 mp -100.06 115.67 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 108.494 -0.928 . . . . 73.430000000000007 108.494 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.605 ' HB2' HD11 ' A' ' 64' ' ' LEU . 22.5 t-20 -100.23 124.93 46.26 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 106.807 -1.553 . . . . 74.420000000000002 106.807 170.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 t -143.94 129.81 19.4 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 122.875 0.47 . . . . 72.109999999999999 109.864 -177.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -84.26 -24.98 29.71 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.21 -0.905 . . . . 72.420000000000002 109.56 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.474 ' ND2' ' HB2' ' A' ' 14' ' ' LEU . 45.9 t30 -91.68 114.25 26.74 Favored 'General case' 0 C--O 1.245 0.866 0 C-N-CA 123.722 0.809 . . . . 63.240000000000002 110.849 -175.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -69.29 -40.35 77.76 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.912 -1.04 . . . . 73.230000000000004 111.981 -174.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.433 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -67.54 -26.17 66.18 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 110.118 -0.327 . . . . 51.32 110.118 178.615 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.474 ' HB2' ' ND2' ' A' ' 11' ' ' ASN . 29.1 tp -68.18 -41.8 80.91 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-O 118.733 -0.651 . . . . 64.109999999999999 110.291 176.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.495 ' HA ' HD12 ' A' ' 18' ' ' ILE . 34.4 mt -48.24 -41.6 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 124.261 0.976 . . . . 72.329999999999998 111.303 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HE2' ' HA ' ' A' ' 13' ' ' GLU . 46.5 mtmt -59.6 -49.47 77.62 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 123.984 0.802 . . . . 71.140000000000001 110.472 178.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -67.57 -31.41 71.46 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.55 1.14 . . . . 73.209999999999994 111.564 -176.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.728 HD13 HG21 ' A' ' 7' ' ' ILE . 82.4 mt -63.47 -53.12 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.412 -0.959 . . . . 74.209999999999994 108.412 173.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.563 ' HG2' HG11 ' A' ' 29' ' ' VAL . 99.2 mttt -52.66 -46.85 67.37 Favored 'General case' 0 C--N 1.362 1.133 0 O-C-N 124.476 1.11 . . . . 63.350000000000001 110.631 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -62.61 -38.02 88.54 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.8 0.84 . . . . 63.130000000000003 112.092 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 24.7 mm-40 -62.39 -42.85 99.74 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.873 0.469 . . . . 70.209999999999994 110.947 173.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 18' ' ' ILE . 35.8 t -72.03 -27.42 27.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 123.76 0.824 . . . . 74.510000000000005 110.907 -177.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 23.0 mm-40 -71.98 -31.21 66.03 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.285 0.634 . . . . 74.299999999999997 111.017 174.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -73.25 -29.21 62.6 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.052 0.541 . . . . 71.140000000000001 110.447 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.586 ' HG3' ' HG3' ' A' ' 121' ' ' MET . 17.3 mm-40 -88.69 -26.82 21.63 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.635 0.774 . . . . 61.009999999999998 110.5 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.3 47.24 8.37 Favored Glycine 0 C--N 1.341 0.84 0 CA-C-N 116.262 -0.427 . . . . 55.219999999999999 113.053 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.524 ' HB2' HG13 ' A' ' 22' ' ' VAL . 2.2 m-85 -108.7 171.22 7.55 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.807 0.843 . . . . 72.439999999999998 109.727 174.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -91.46 116.17 28.63 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.358 0.663 . . . . 71.310000000000002 110.061 -176.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.563 HG11 ' HG2' ' A' ' 19' ' ' LYS . 36.9 t -94.89 117.88 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.498 0.719 . . . . 73.530000000000001 109.859 177.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -127.14 109.01 11.41 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.863 -1.162 . . . . 73.450000000000003 107.863 165.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -86.74 116.22 24.7 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 109.19 -0.67 . . . . 61.210000000000001 109.19 175.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.536 HG11 ' HB3' ' A' ' 38' ' ' LEU . 74.1 t -88.96 123.61 41.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 124.785 1.234 . . . . 73.109999999999999 109.914 173.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -121.21 4.77 10.31 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.352 1.061 . . . . 73.230000000000004 110.736 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.435 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 25.6 t70 -155.22 152.28 29.14 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.099 0.56 . . . . 73.109999999999999 110.845 -171.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.426 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 48.9 m -64.36 -32.43 74.04 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.888 0.875 . . . . 62.109999999999999 112.682 -176.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -80.4 -21.9 41.81 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 122.472 0.309 . . . . 73.349999999999994 110.363 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 28.3 mm-40 -67.65 -44.14 78.61 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.95 0.5 . . . . 63.229999999999997 111.159 175.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.536 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.2 pp -66.19 -42.0 89.44 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.064 0.227 . . . . 61.210000000000001 111.428 -175.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -71.21 -33.03 69.52 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.617 0.573 . . . . 64.019999999999996 110.39 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.7 pttm -73.12 -32.13 64.74 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 109.337 -0.616 . . . . 61.32 109.337 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.568 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 63.2 mm-40 -72.49 -30.97 64.99 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 123.38 0.425 . . . . 75.340000000000003 110.916 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 33.3 mmt -66.02 -31.16 71.89 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.323 0.249 . . . . 62.310000000000002 110.425 172.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -74.98 -36.46 62.01 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.688 0.795 . . . . 72.329999999999998 110.38 174.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -59.87 -60.72 3.39 Favored 'General case' 0 C--O 1.206 -1.196 0 C-N-CA 123.979 0.911 . . . . 74.019999999999996 110.511 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 32.1 mt -61.28 -28.07 68.93 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.566 0.746 . . . . 53.009999999999998 111.495 -174.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.37 -48.53 41.02 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.981 0.912 . . . . 53.039999999999999 111.421 177.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -80.59 -35.26 34.41 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.216 0.607 . . . . 74.239999999999995 112.022 -174.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -72.96 96.5 2.14 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 107.758 -1.201 . . . . 62.520000000000003 107.758 171.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -75.37 -64.79 0.99 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.085 -0.507 . . . . 52.329999999999998 112.104 -165.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -105.86 94.96 5.47 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.195 0.598 . . . . 54.0 111.229 -174.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -159.79 161.56 34.65 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 124.016 0.926 . . . . 74.540000000000006 109.057 165.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -66.14 160.57 23.76 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.548 0.739 . . . . 64.209999999999994 111.293 -174.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 13.4 ptpt -48.69 148.89 1.92 Allowed 'General case' 0 C--O 1.245 0.849 0 C-N-CA 125.661 1.584 . . . . 52.549999999999997 112.681 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.59 142.43 27.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-N 115.081 -0.963 . . . . 73.230000000000004 110.162 -165.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.523 HD22 HG21 ' A' ' 22' ' ' VAL . 3.8 tt -106.57 110.39 22.58 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.925 -1.034 . . . . 75.329999999999998 108.905 175.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.495 HG21 ' SD ' ' A' ' 67' ' ' MET . 36.3 mm -99.43 127.56 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 123.687 0.795 . . . . 72.319999999999993 108.888 177.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.432 HG21 HG23 ' A' ' 15' ' ' ILE . 60.5 mt -103.84 110.64 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 108.635 -0.876 . . . . 55.530000000000001 108.635 173.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.0 t -113.7 106.43 14.49 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 108.656 -0.868 . . . . 44.340000000000003 108.656 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -83.93 13.61 4.8 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.963 0.905 . . . . 62.020000000000003 112.557 -171.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.438 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 20.1 t70 -140.32 144.79 36.54 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.537 0.735 . . . . 72.099999999999994 109.394 172.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.611 ' HE2' ' HB3' ' A' ' 89' ' ' GLU . 63.8 mttp -84.09 -23.96 30.54 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 115.281 -0.872 . . . . 74.540000000000006 112.68 -173.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -71.29 -32.04 68.18 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 109.015 -0.735 . . . . 73.510000000000005 109.015 174.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.444 HD13 HG12 ' A' ' 32' ' ' VAL . 59.7 mt -66.59 -40.83 89.07 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 115.619 -0.719 . . . . 62.310000000000002 110.803 175.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.605 HD11 ' HB2' ' A' ' 8' ' ' ASN . 88.5 mt -53.59 -58.68 6.32 Favored 'General case' 0 C--N 1.362 1.144 0 O-C-N 124.445 1.091 . . . . 72.0 110.591 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -55.29 -48.87 73.45 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 124.265 0.978 . . . . 72.430000000000007 112.27 -170.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -58.3 -47.75 82.67 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 124.008 0.817 . . . . 74.109999999999999 110.903 176.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.495 ' SD ' HG21 ' A' ' 56' ' ' ILE . 24.1 ttm -66.01 -39.51 90.33 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.157 -0.929 . . . . 73.219999999999999 111.338 -173.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 80.8 mt -55.18 -45.48 75.78 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.271 1.028 . . . . 60.240000000000002 110.766 178.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.53 -32.44 62.47 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.69 -1.141 . . . . 72.019999999999996 111.353 -176.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 90.7 mt -68.37 -42.75 78.7 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 122.421 0.288 . . . . 62.009999999999998 110.976 175.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.45 HG23 ' HB2' ' A' ' 76' ' ' TYR . 92.0 mt -63.22 -33.65 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 123.597 0.759 . . . . 74.450000000000003 110.581 174.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.5 t -61.29 -45.79 93.03 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.449 -0.796 . . . . 63.399999999999999 110.792 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -14.54 55.24 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.654 0.382 . . . . 72.030000000000001 111.707 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 83.7 mt -73.8 -29.97 62.47 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 109.596 -0.52 . . . . 63.229999999999997 109.596 169.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.11 7.95 51.51 Favored Glycine 0 C--N 1.348 1.238 0 CA-C-N 116.031 -0.531 . . . . 73.340000000000003 113.324 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.45 ' HB2' HG23 ' A' ' 71' ' ' ILE . 12.5 m-85 -89.5 161.61 16.14 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.706 0.402 . . . . 65.319999999999993 110.078 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -70.63 128.19 35.24 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 123.423 0.452 . . . . 54.32 109.851 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.0 t -93.11 106.69 18.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 N-CA-C 108.533 -0.914 . . . . 73.340000000000003 108.533 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -115.84 140.93 48.74 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 106.794 -1.558 . . . . 73.140000000000001 106.794 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.3 tp -132.14 144.03 50.4 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.342 -0.985 . . . . 62.520000000000003 108.342 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.8 tp -141.7 114.31 8.39 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 105.824 -1.917 . . . . 64.109999999999999 105.824 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.505 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -122.32 133.46 54.67 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.317 0.579 . . . . 72.299999999999997 110.17 -176.713 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.33 147.64 49.2 Favored 'General case' 0 C--O 1.245 0.857 0 CA-C-N 114.92 -1.036 . . . . 61.420000000000002 108.216 176.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.495 ' HB2' HD21 ' A' ' 90' ' ' LEU . 7.5 t70 -164.09 156.79 17.49 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.379 -0.971 . . . . 75.140000000000001 108.379 -177.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -73.28 -13.08 61.06 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.243 0.617 . . . . 75.129999999999995 111.449 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -130.86 112.02 12.62 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.081 1.352 . . . . 73.219999999999999 108.254 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -78.72 -4.61 50.06 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.177 0.591 . . . . 73.030000000000001 112.381 -172.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -64.77 -38.33 90.62 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.536 -0.542 . . . . 73.049999999999997 109.536 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.611 ' HB3' ' HE2' ' A' ' 61' ' ' LYS . 49.0 mm-40 -55.87 -47.9 76.53 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.106 -0.952 . . . . 55.439999999999998 111.435 169.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.505 HD22 ' HB2' ' A' ' 82' ' ' LEU . 80.4 mt -70.21 -39.32 75.22 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.627 -1.17 . . . . 73.420000000000002 112.63 -171.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -81.63 -32.0 32.14 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.718 0.636 . . . . 61.450000000000003 111.086 -173.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.7 -46.82 83.75 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 123.695 0.798 . . . . 62.229999999999997 109.692 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.475 ' O ' HG12 ' A' ' 97' ' ' ILE . 6.4 t80 -63.12 -52.76 61.27 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 114.684 -1.144 . . . . 75.109999999999999 109.817 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -60.82 -46.13 91.76 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.789 0.836 . . . . 71.439999999999998 111.99 -174.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -60.97 -28.76 69.23 Favored 'General case' 0 N--CA 1.485 1.304 0 O-C-N 123.596 0.56 . . . . 64.049999999999997 111.473 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -71.47 -44.78 64.13 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.82 -0.627 . . . . 63.32 110.053 172.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 93' ' ' PHE . 48.5 mm -67.41 -30.29 48.51 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.282 0 C-N-CA 124.089 0.956 . . . . 54.140000000000001 111.864 -176.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -53.71 -49.22 68.55 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.495 0.718 . . . . 54.310000000000002 110.644 169.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.3 t -72.42 -30.69 64.86 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 114.892 -1.049 . . . . 71.340000000000003 110.913 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -77.04 -15.89 59.46 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.645 0.778 . . . . 75.310000000000002 111.089 177.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.65 42.38 26.66 Favored Glycine 0 C--N 1.35 1.335 0 CA-C-O 119.746 -0.475 . . . . 43.409999999999997 113.823 172.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -117.07 135.96 53.34 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.499 -0.926 . . . . 75.219999999999999 108.499 173.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -68.96 109.75 4.1 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.207 0.603 . . . . 73.140000000000001 110.489 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.7 p -128.2 135.65 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-O 121.483 0.658 . . . . 65.25 111.584 -174.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.508 ' HB3' HD13 ' A' ' 116' ' ' ILE . 5.0 mmp_? -109.7 141.84 41.72 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.404 1.081 . . . . 74.109999999999999 109.126 178.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -128.39 130.78 48.19 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.476 0.71 . . . . 73.519999999999996 110.675 -174.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.4 m -151.92 128.08 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.361 1.064 . . . . 73.319999999999993 109.833 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.1 m -69.42 -40.16 77.44 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 121.786 0.803 . . . . 74.5 109.263 167.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.4 ' OD1' ' HG2' ' A' ' 111' ' ' GLU . 13.1 t70 -78.14 132.02 37.48 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.369 -1.287 . . . . 75.239999999999995 110.303 -170.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -65.49 -43.26 90.72 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 114.37 -1.286 . . . . 75.329999999999998 113.252 -175.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.4 ' HG2' ' OD1' ' A' ' 109' ' ' ASP . 9.3 pt-20 -76.61 -26.12 54.64 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 122.117 -0.365 . . . . 74.049999999999997 110.36 -176.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -69.96 -24.24 63.31 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.629 0.372 . . . . 74.109999999999999 111.087 173.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -69.02 -40.32 78.71 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.593 0.357 . . . . 71.109999999999999 110.489 170.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.07 -36.76 85.05 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 123.755 0.659 . . . . 53.310000000000002 110.35 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 118' ' ' ARG . 4.3 ttmp? -58.24 -40.98 83.14 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 124.097 0.873 . . . . 74.219999999999999 110.782 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.508 HD13 ' HB3' ' A' ' 105' ' ' ARG . 62.0 mt -80.95 -28.39 11.16 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 C-N-CA 123.045 0.538 . . . . 73.519999999999996 111.38 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 113' ' ' ALA . 62.4 t -59.54 -53.6 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 122.876 0.471 . . . . 71.239999999999995 109.837 172.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 115' ' ' LYS . 1.3 ptm180 -69.59 -36.36 76.17 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.406 0.441 . . . . 75.540000000000006 111.279 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.5 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 19.9 mt-10 -53.77 -54.77 33.5 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 118.719 -0.658 . . . . 62.539999999999999 110.946 173.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -49.77 -34.36 19.06 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.718 0.807 . . . . 72.219999999999999 112.213 -174.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.586 ' HG3' ' HG3' ' A' ' 25' ' ' GLN . 20.2 mmt -62.21 -38.36 88.85 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.863 0.865 . . . . 74.450000000000003 112.225 -177.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -101.3 -25.38 13.99 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.372 0.669 . . . . 73.219999999999999 112.118 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -89.51 -24.04 21.89 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.748 0.819 . . . . 74.329999999999998 111.361 -171.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.656 ' HA ' ' HB2' ' A' ' 127' ' ' LEU . . . -63.55 -27.21 69.1 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 110.057 -0.349 . . . . 51.119999999999997 110.057 174.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.91 108.44 2.48 Favored Glycine 0 C--N 1.355 1.615 0 N-CA-C 110.699 -0.96 . . . . 74.549999999999997 110.699 165.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.4 m 67.01 36.23 4.31 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.859 1.264 . . . . 71.349999999999994 110.71 -174.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.656 ' HB2' ' HA ' ' A' ' 124' ' ' ALA . 26.2 tp -62.86 147.37 50.34 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.109 -0.95 . . . . 61.25 110.897 175.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.541 ' HG3' ' HG ' ' A' ' 127' ' ' LEU . 33.1 mt-10 75.01 -20.72 0.33 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.93 1.292 . . . . 74.129999999999995 112.453 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -67.72 -43.91 78.89 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 107.923 -1.14 . . . . 73.109999999999999 107.923 167.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -102.94 88.93 3.29 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.665 -1.152 . . . . 64.329999999999998 108.617 171.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -158.94 168.3 27.13 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.129 0.972 . . . . 74.010000000000005 108.413 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -138.82 144.69 39.4 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.321 0.648 . . . . 62.100000000000001 109.783 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -156.41 -163.69 1.5 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.711 0.804 . . . . 61.539999999999999 109.356 -174.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 . . . . . 0 CA--C 1.554 1.101 0 N-CA-C 108.727 -0.842 . . . . 73.099999999999994 108.727 173.531 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 109.788 -0.449 . . . . 74.239999999999995 109.788 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -78.2 145.55 35.5 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.234 0.54 . . . . 75.349999999999994 110.099 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.559 ' HA ' ' HB3' ' A' ' 77' ' ' LYS . 35.9 mt-10 -128.36 118.19 22.74 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.548 1.139 . . . . 72.540000000000006 107.947 -176.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.73 112.65 24.83 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.791 -0.818 . . . . 72.030000000000001 108.791 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 tt -112.47 117.34 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.935 0.894 . . . . 65.140000000000001 109.048 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.507 ' HB3' HD22 ' A' ' 64' ' ' LEU . 6.2 mp -104.09 123.32 47.03 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.595 -0.891 . . . . 64.019999999999996 108.595 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 mp -101.89 140.0 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 108.349 -0.982 . . . . 75.010000000000005 108.349 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.49 ' HB2' HD11 ' A' ' 64' ' ' LEU . 4.2 t-20 -117.39 108.7 15.89 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 107.627 -1.249 . . . . 53.520000000000003 107.627 171.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.2 t -146.58 134.48 21.33 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.053 0.454 . . . . 70.340000000000003 109.852 174.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -99.83 2.68 44.16 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.215 -0.902 . . . . 61.539999999999999 110.075 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -93.03 102.19 14.53 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.24 1.016 . . . . 73.019999999999996 108.823 175.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 6.8 m-20 -61.48 -34.88 76.21 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.072 0.949 . . . . 72.510000000000005 111.969 -177.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -61.83 -38.8 89.52 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.136 0.897 . . . . 74.040000000000006 110.154 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.8 tp -67.44 -44.1 79.5 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 123.697 0.623 . . . . 70.140000000000001 110.891 176.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.502 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 46.4 mt -54.53 -44.35 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 O-C-N 123.801 0.688 . . . . 74.230000000000004 109.858 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 30.0 mmmt -53.88 -49.88 67.56 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.23 1.012 . . . . 71.349999999999994 111.428 176.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.558 ' HE2' HD11 ' A' ' 114' ' ' LEU . 57.7 mtpt -67.98 -39.64 83.28 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.282 1.033 . . . . 53.409999999999997 111.564 -175.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 22' ' ' VAL . 81.5 mt -60.94 -51.83 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 108.91 -0.774 . . . . 75.540000000000006 108.91 176.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.617 ' HG2' HG11 ' A' ' 29' ' ' VAL . 93.9 mttt -50.21 -51.15 46.63 Favored 'General case' 0 C--N 1.362 1.113 0 O-C-N 124.527 1.142 . . . . 74.010000000000005 110.809 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -54.98 35.31 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.333 1.021 . . . . 73.310000000000002 111.596 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 28.2 mm-40 -53.25 -50.05 65.61 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 123.88 0.738 . . . . 64.340000000000003 111.237 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.558 HG13 ' HB2' ' A' ' 27' ' ' TYR . 71.9 t -69.29 -32.27 52.92 Favored 'Isoleucine or valine' 0 C--O 1.25 1.128 0 C-N-CA 125.467 1.507 . . . . 73.310000000000002 112.632 -172.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.62 -32.53 73.31 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.736 0.815 . . . . 72.219999999999999 111.362 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -78.04 -18.49 55.78 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.606 0.362 . . . . 60.229999999999997 111.094 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 8.7 mm-40 -92.0 -7.48 48.77 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.167 0.587 . . . . 73.030000000000001 110.993 175.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.04 -3.12 85.81 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-O 119.203 -0.776 . . . . 45.329999999999998 114.774 172.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.558 ' HB2' HG13 ' A' ' 22' ' ' VAL . 2.2 m-85 -73.28 146.94 45.0 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 118.023 0.912 . . . . 72.030000000000001 109.943 -176.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.407 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 0.9 OUTLIER -78.0 110.24 12.77 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 108.436 -0.95 . . . . 62.130000000000003 108.436 -179.102 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.617 HG11 ' HG2' ' A' ' 19' ' ' LYS . 38.3 t -83.21 122.15 37.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 122.824 0.449 . . . . 60.43 110.067 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.407 ' NH1' ' HB3' ' A' ' 28' ' ' GLN . 2.4 mpt_? -116.48 150.79 37.3 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.9 0.88 . . . . 74.430000000000007 108.796 168.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -127.33 113.58 16.45 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 107.728 -1.212 . . . . 74.120000000000005 107.728 162.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.6 HG11 ' HB3' ' A' ' 38' ' ' LEU . 79.7 t -97.38 120.6 46.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.327 -0.99 . . . . 71.120000000000005 108.327 175.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -113.15 -18.08 12.22 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.062 0.945 . . . . 72.230000000000004 110.374 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -135.05 154.35 51.74 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.584 0.754 . . . . 65.430000000000007 110.15 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.8 m -65.77 -20.19 66.17 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.285 1.034 . . . . 54.240000000000002 113.103 -172.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -66.76 -44.02 82.52 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.488 0.315 . . . . 72.310000000000002 110.648 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.5 ' HB2' HG13 ' A' ' 32' ' ' VAL . 39.7 mt-10 -61.29 -46.22 91.22 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.053 0.941 . . . . 65.310000000000002 112.13 -172.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.6 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.6 pp -66.27 -44.22 84.21 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.729 0.643 . . . . 74.340000000000003 111.658 -174.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -73.38 -32.29 64.4 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 116.442 -0.345 . . . . 72.120000000000005 110.72 -171.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 28.0 mtpp -60.12 -51.87 67.77 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.999 0.812 . . . . 75.420000000000002 110.417 174.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -78.36 -27.29 46.9 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.835 -0.62 . . . . 75.409999999999997 111.811 -173.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.439 ' SD ' HD12 ' A' ' 45' ' ' LEU . 14.0 mmt -68.61 -31.9 71.39 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.692 0.397 . . . . 75.530000000000001 111.187 177.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -62.19 -46.52 88.55 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.691 0.619 . . . . 75.510000000000005 109.424 168.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 28.3 mmmt -71.03 -22.25 62.17 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.387 -0.824 . . . . 54.100000000000001 112.613 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.439 HD12 ' SD ' ' A' ' 42' ' ' MET . 93.7 mt -76.3 -40.75 50.76 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.694 -0.484 . . . . 75.040000000000006 109.694 173.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.56 93.07 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.919 0.888 . . . . 72.030000000000001 111.205 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -76.44 -55.63 5.37 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.759 0.824 . . . . 53.32 110.135 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -104.95 94.94 5.53 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.502 -0.772 . . . . 63.009999999999998 109.47 -173.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.554 ' HE2' ' HE1' ' A' ' 76' ' ' TYR . 38.0 ttmt -74.19 -64.05 1.1 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 107.925 -1.139 . . . . 73.349999999999994 107.925 169.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 26.33 -80.09 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 127.322 2.249 . . . . 74.5 115.748 168.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -68.59 172.72 5.83 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.711 1.204 . . . . 55.210000000000001 112.535 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.06 -164.24 0.05 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 125.054 1.342 . . . . 33.240000000000002 112.558 -174.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.09 152.47 29.29 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.902 0.881 . . . . 64.420000000000002 112.272 -178.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.67 143.22 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.128 0.971 . . . . 75.109999999999999 109.979 -168.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.425 HD22 HG11 ' A' ' 22' ' ' VAL . 1.7 tp -101.02 131.37 46.94 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.039 0.936 . . . . 70.510000000000005 109.324 170.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.3 mm -118.08 135.04 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 108.027 -1.101 . . . . 65.420000000000002 108.027 174.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.1 mt -123.05 146.64 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 108.524 -0.917 . . . . 73.109999999999999 108.524 171.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.3 t -153.66 155.09 35.37 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.728 0.811 . . . . 74.219999999999999 109.305 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -95.69 -15.95 22.32 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.606 0.762 . . . . 62.409999999999997 110.456 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -113.98 134.84 54.58 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.825 0.85 . . . . 72.030000000000001 110.808 -170.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.453 ' HA ' HD12 ' A' ' 64' ' ' LEU . 9.4 mptt -77.75 -29.06 50.85 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.055 0.542 . . . . 72.030000000000001 112.243 -176.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -68.64 -30.4 69.09 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 110.144 -0.317 . . . . 70.519999999999996 110.144 -177.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.568 HD13 HG12 ' A' ' 32' ' ' VAL . 62.7 mt -68.15 -46.29 71.2 Favored 'General case' 0 C--O 1.247 0.942 0 C-N-CA 123.526 0.73 . . . . 63.100000000000001 109.55 175.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' A' ' 6' ' ' LEU . 76.7 mt -57.56 -50.19 73.92 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 114.675 -1.148 . . . . 74.5 110.289 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 54.6 tptt -51.33 -52.48 45.03 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 124.703 1.252 . . . . 75.409999999999997 110.999 -177.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -58.2 -48.07 81.49 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 124.003 0.815 . . . . 75.120000000000005 111.811 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.43 ' O ' HG13 ' A' ' 71' ' ' ILE . 76.5 mtm -62.01 -48.73 79.01 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 123.46 0.475 . . . . 62.32 111.346 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 90.7 mt -53.17 -44.06 67.56 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.733 1.213 . . . . 74.230000000000004 111.571 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 56.6 mm-40 -66.67 -41.82 87.56 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 115.659 -0.7 . . . . 73.010000000000005 110.799 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.406 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 97.2 mt -60.53 -51.66 68.51 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.664 0.603 . . . . 74.430000000000007 111.273 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 67' ' ' MET . 44.5 mt -59.57 -28.48 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 124.432 1.093 . . . . 75.219999999999999 111.339 -175.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 t -60.83 -49.76 76.2 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.68 -0.691 . . . . 63.509999999999998 111.117 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.417 ' HE3' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -86.57 -6.56 58.85 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 122.213 -0.304 . . . . 54.219999999999999 111.378 178.382 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 70.3 mt -78.77 -20.35 50.09 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 109.356 -0.609 . . . . 72.099999999999994 109.356 168.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.35 20.52 78.76 Favored Glycine 0 C--N 1.35 1.344 0 CA-C-N 115.63 -0.713 . . . . 63.340000000000003 113.355 173.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.554 ' HE1' ' HE2' ' A' ' 49' ' ' LYS . 15.1 m-85 -92.05 161.43 14.78 Favored 'General case' 0 C--O 1.24 0.603 0 C-N-CA 123.268 0.627 . . . . 74.420000000000002 109.467 174.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.559 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 24.5 ttmm -67.55 111.49 4.18 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.655 -0.702 . . . . 73.409999999999997 110.155 -178.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.6 t -90.83 123.97 43.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 N-CA-C 109.764 -0.458 . . . . 70.200000000000003 109.764 -177.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -136.95 141.78 42.63 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.957 -1.127 . . . . 65.450000000000003 107.957 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.504 HD11 HD13 ' A' ' 64' ' ' LEU . 50.2 tp -131.02 148.17 52.72 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.67 -0.863 . . . . 65.239999999999995 108.67 175.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.558 HD13 HG21 ' A' ' 116' ' ' ILE . 19.4 tp -138.83 135.1 34.21 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 105.867 -1.901 . . . . 64.219999999999999 105.867 175.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.687 HD13 ' HB3' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -140.16 137.07 34.11 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.183 0.516 . . . . 73.409999999999997 110.748 178.063 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -145.24 142.3 29.39 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 114.792 -1.095 . . . . 73.530000000000001 109.124 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -165.49 161.38 18.63 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 115.093 -0.958 . . . . 54.020000000000003 109.063 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -63.99 -32.05 73.45 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.64 0.776 . . . . 74.239999999999995 110.228 174.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -101.31 111.99 24.37 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.704 0.801 . . . . 71.409999999999997 109.075 171.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.552 ' HG3' HD12 ' A' ' 90' ' ' LEU . 31.5 tt0 -85.38 -3.61 58.9 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 122.998 0.519 . . . . 74.140000000000001 111.264 -178.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -75.33 -27.15 59.13 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.674 0.389 . . . . 73.239999999999995 110.664 176.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -63.25 -43.44 98.0 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 121.687 0.756 . . . . 60.200000000000003 110.483 168.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.687 ' HB3' HD13 ' A' ' 82' ' ' LEU . 52.9 mt -71.07 -39.44 72.19 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.025 -1.443 . . . . 72.439999999999998 112.148 -170.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.54 -41.02 66.27 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.075 0.55 . . . . 72.430000000000007 111.857 -175.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -62.33 -42.66 99.56 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.361 0.664 . . . . 71.299999999999997 111.421 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' ' 97' ' ' ILE . 10.1 t80 -68.28 -51.38 45.59 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.483 -0.781 . . . . 60.43 109.7 176.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.495 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 27.9 ttpp -59.06 -48.75 80.45 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 113.201 0.815 . . . . 71.519999999999996 113.201 -171.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.9 ptt85 -58.85 -27.05 64.77 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 112.13 0.418 . . . . 44.299999999999997 112.13 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.33 -35.13 25.44 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.233 0.613 . . . . 73.120000000000005 110.837 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.534 HG23 ' HD2' ' A' ' 102' ' ' TYR . 33.4 mm -69.42 -38.23 76.75 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.371 0 C-N-CA 123.506 0.722 . . . . 64.200000000000003 111.265 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.43 -27.8 68.78 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 124.55 1.14 . . . . 71.129999999999995 111.665 171.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.7 t -67.82 -36.72 80.88 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.918 0.487 . . . . 71.400000000000006 110.487 176.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -71.93 -25.37 61.87 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 110.161 -0.311 . . . . 70.439999999999998 110.161 169.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.76 45.14 3.22 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 116.336 -0.393 . . . . 75.450000000000003 112.949 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.534 ' HD2' HG23 ' A' ' 97' ' ' ILE . 17.7 m-85 -104.37 145.45 30.24 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.484 -0.561 . . . . 74.219999999999999 109.484 177.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -78.25 96.2 5.18 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 109.032 -0.729 . . . . 71.329999999999998 109.032 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 80' ' ' LEU . 1.8 p -119.52 130.84 73.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 C-N-CA 123.874 0.87 . . . . 50.310000000000002 110.848 -175.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -110.77 144.1 40.27 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 123.052 0.541 . . . . 70.239999999999995 110.514 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.495 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 28.2 ttpp -117.85 125.23 50.14 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.524 1.13 . . . . 72.340000000000003 109.668 -177.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 83' ' ' GLN . 21.1 m -142.91 143.38 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.312 1.045 . . . . 74.099999999999994 108.655 178.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.7 m -87.44 -26.27 23.35 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.375 0.607 . . . . 64.230000000000004 110.188 169.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.3 144.73 26.66 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.732 0.813 . . . . 70.120000000000005 112.495 -167.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -58.36 -56.16 25.66 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.823 1.249 . . . . 71.209999999999994 110.149 168.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -64.37 -33.76 76.6 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 114.788 -1.096 . . . . 51.340000000000003 112.397 -173.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.476 ' O ' HG12 ' A' ' 116' ' ' ILE . 44.2 mm-40 -76.43 -29.62 57.08 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 122.388 0.275 . . . . 64.010000000000005 110.903 178.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -66.74 -40.28 88.25 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.624 0.37 . . . . 63.340000000000003 110.311 173.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.558 HD11 ' HE2' ' A' ' 17' ' ' LYS . 92.1 mt -60.35 -41.76 94.34 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.556 0.742 . . . . 73.010000000000005 110.249 173.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 4.7 ttmp? -60.61 -49.49 77.32 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.207 0.942 . . . . 74.349999999999994 110.245 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.558 HG21 HD13 ' A' ' 81' ' ' LEU . 43.1 mm -59.64 -39.39 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 123.186 0.595 . . . . 65.319999999999993 111.71 -175.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 113' ' ' ALA . 94.5 t -57.49 -41.98 79.94 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 122.999 0.52 . . . . 62.509999999999998 110.379 177.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -71.91 -47.63 51.28 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.082 0.953 . . . . 73.109999999999999 110.862 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 17.1 mm-40 -54.69 -40.48 69.18 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.178 0.991 . . . . 71.129999999999995 111.344 178.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.478 ' HE2' ' HE2' ' A' ' 27' ' ' TYR . 25.5 t80 -53.78 -54.08 43.33 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 124.272 0.983 . . . . 75.200000000000003 111.328 177.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.422 ' HG3' ' O ' ' A' ' 117' ' ' VAL . 53.6 mtt -61.58 -25.12 67.12 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 124.002 0.814 . . . . 70.310000000000002 112.581 -168.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -95.16 -39.53 10.06 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.037 0.535 . . . . 73.420000000000002 111.285 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -16.7 61.36 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.229 0.538 . . . . 73.450000000000003 110.902 -177.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.67 -2.99 25.44 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.448 1.099 . . . . 45.340000000000003 111.529 175.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -82.38 48.48 3.96 Favored Glycine 0 C--N 1.351 1.39 0 N-CA-C 111.858 -0.497 . . . . 73.120000000000005 111.858 169.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.7 t -165.72 176.16 8.23 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 124.851 1.26 . . . . 72.109999999999999 108.551 -174.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 61.3 tp -105.88 142.45 35.58 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.857 0.863 . . . . 60.100000000000001 109.441 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -80.64 74.89 7.55 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.631 -0.877 . . . . 61.210000000000001 108.631 173.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -94.82 16.67 15.3 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.304 0.642 . . . . 63.509999999999998 110.469 -176.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -77.48 76.8 4.01 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 121.403 0.621 . . . . 75.530000000000001 110.059 173.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -100.93 -52.04 3.4 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 108.253 -1.017 . . . . 74.109999999999999 108.253 172.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -158.22 108.3 2.1 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.19 -0.914 . . . . 71.209999999999994 109.889 177.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -125.0 -40.09 2.19 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 108.156 -1.053 . . . . 75.340000000000003 108.156 170.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 . . . . . 0 C--O 1.251 1.171 0 CA-C-N 114.481 -1.236 . . . . 72.120000000000005 108.139 165.4 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptp . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.884 0.373 . . . . 74.400000000000006 110.574 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 76' ' ' TYR . 9.5 ptpp? -134.84 132.82 39.07 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 107.069 -1.456 . . . . 71.200000000000003 107.069 164.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.54 ' HB2' ' HD2' ' A' ' 53' ' ' LYS . 1.4 mp0 -84.17 135.05 34.53 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.263 0.554 . . . . 72.0 110.215 -176.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -110.76 112.91 25.11 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 107.985 -1.116 . . . . 64.439999999999998 107.985 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 tt -106.6 122.4 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 108.762 -0.829 . . . . 73.5 108.762 176.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.63 123.02 48.75 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.368 -0.975 . . . . 72.109999999999999 108.368 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.664 HG21 HD13 ' A' ' 18' ' ' ILE . 2.4 mp -103.85 123.96 57.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 108.911 -0.774 . . . . 73.319999999999993 108.911 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.522 ' HB2' HD11 ' A' ' 64' ' ' LEU . 3.7 t-20 -96.66 119.47 35.19 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 106.15 -1.796 . . . . 63.25 106.15 166.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.575 HG23 HG12 ' A' ' 15' ' ' ILE . 2.3 t -143.58 117.74 9.52 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.385 -0.598 . . . . 73.230000000000004 109.385 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -107.44 6.36 28.15 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.393 -0.821 . . . . 63.149999999999999 111.294 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.415 ' O ' HG13 ' A' ' 15' ' ' ILE . 50.0 t-20 -92.05 108.67 20.11 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.106 -1.442 . . . . 55.039999999999999 107.106 166.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.87 -47.3 80.74 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.565 1.146 . . . . 44.210000000000001 111.586 -175.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.15 -37.66 88.27 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.158 -0.928 . . . . 73.230000000000004 110.413 -178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.0 tp -66.45 -38.15 86.74 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 118.711 -0.662 . . . . 73.319999999999993 111.729 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.575 HG12 HG23 ' A' ' 9' ' ' THR . 16.8 mt -54.01 -44.16 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 CA-C-O 121.232 0.539 . . . . 75.329999999999998 109.934 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -63.08 -41.32 99.4 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 114.392 -1.276 . . . . 71.030000000000001 111.099 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -70.89 -38.29 73.04 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.473 -0.785 . . . . 64.519999999999996 111.392 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.664 HD13 HG21 ' A' ' 7' ' ' ILE . 98.9 mt -58.76 -50.12 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.533 0.733 . . . . 61.549999999999997 109.224 177.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.633 ' HG2' HG11 ' A' ' 29' ' ' VAL . 99.5 mttt -49.93 -43.77 50.03 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 124.601 1.188 . . . . 72.239999999999995 111.556 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -70.35 -36.87 74.46 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.756 0.823 . . . . 75.019999999999996 112.441 -177.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 18.5 mm-40 -63.39 -39.42 94.45 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 121.047 0.451 . . . . 44.310000000000002 110.275 174.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 18' ' ' ILE . 57.4 t -73.81 -29.4 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.369 1.067 . . . . 72.219999999999999 111.101 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -71.01 -26.08 62.96 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.547 0.739 . . . . 72.430000000000007 110.631 173.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -71.66 -35.51 70.38 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.114 0.566 . . . . 71.430000000000007 110.003 172.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 76.3 mm-40 -82.75 -24.4 33.54 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.582 0.753 . . . . 32.109999999999999 111.172 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.6 22.21 58.69 Favored Glycine 0 C--N 1.346 1.089 0 CA-C-N 115.831 -0.622 . . . . 43.340000000000003 114.068 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.508 ' HB2' HG13 ' A' ' 22' ' ' VAL . 1.7 m-85 -90.52 161.39 15.51 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 109.53 -0.545 . . . . 74.329999999999998 109.53 175.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -91.17 121.21 32.74 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.518 0.727 . . . . 71.109999999999999 110.836 -175.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.633 HG11 ' HG2' ' A' ' 19' ' ' LYS . 91.4 t -92.19 122.76 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 122.874 0.47 . . . . 62.119999999999997 110.369 175.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -117.77 106.58 13.18 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 108.123 -1.066 . . . . 74.239999999999995 108.123 167.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -86.56 117.35 25.28 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.348 -0.982 . . . . 73.120000000000005 108.348 175.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.582 HG11 ' HB3' ' A' ' 38' ' ' LEU . 80.0 t -101.98 120.87 52.26 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 CA-C-N 115.25 -0.886 . . . . 74.340000000000003 109.71 -175.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -115.03 -21.74 9.89 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.698 -1.137 . . . . 71.510000000000005 109.332 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.447 ' HB2' ' HG2' ' A' ' 37' ' ' GLU . 13.9 m-20 -119.93 145.83 46.37 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.165 0.986 . . . . 74.430000000000007 110.269 -175.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.9 p -70.4 -21.07 62.89 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.086 0.954 . . . . 72.219999999999999 112.712 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -90.76 -28.13 18.46 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 122.239 -0.288 . . . . 72.5 111.409 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.447 ' HG2' ' HB2' ' A' ' 34' ' ' ASP . 32.2 mm-40 -63.23 -33.89 76.47 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.444 0.298 . . . . 72.019999999999996 111.206 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.582 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.6 pp -65.16 -49.02 71.45 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 123.292 0.37 . . . . 45.450000000000003 110.402 178.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -69.72 -28.32 65.72 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 111.611 0.226 . . . . 64.310000000000002 111.611 -171.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -64.46 -42.3 96.02 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.531 0.732 . . . . 72.219999999999999 110.299 173.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 53.6 mm-40 -76.36 -25.46 54.67 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 112.354 0.501 . . . . 62.210000000000001 112.354 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.506 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 80.9 mmm -66.43 -31.36 72.06 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 110.231 -0.285 . . . . 63.299999999999997 110.231 173.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -68.27 -42.04 80.16 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.365 0.666 . . . . 74.239999999999995 110.446 173.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -58.94 -35.54 73.29 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.966 0.906 . . . . 75.430000000000007 111.377 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 73.4 mt -61.05 -48.96 79.33 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.597 0.759 . . . . 73.349999999999994 110.873 177.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -69.47 -56.12 8.32 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.045 0.84 . . . . 63.350000000000001 111.493 -176.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.65 -50.79 72.11 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.293 1.037 . . . . 71.049999999999997 111.623 -173.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -83.05 100.34 10.43 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 107.945 -1.132 . . . . 72.239999999999995 107.945 173.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -79.28 -56.77 4.1 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.453 0.301 . . . . 74.319999999999993 110.426 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -92.82 91.09 7.29 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.91 0.484 . . . . 65.329999999999998 110.656 -176.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -159.96 161.04 34.08 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 123.584 0.754 . . . . 54.130000000000003 109.566 164.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.57 133.95 53.95 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.553 0.741 . . . . 74.340000000000003 111.211 -174.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.54 ' HD2' ' HB2' ' A' ' 3' ' ' GLU . 46.0 pttt -56.2 135.08 53.43 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.093 0.957 . . . . 64.5 111.383 -176.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.455 ' N ' HD12 ' A' ' 54' ' ' ILE . 3.0 mp -96.43 130.76 44.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 CA-C-N 115.215 -0.902 . . . . 64.209999999999994 110.09 -160.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 tt -90.94 113.24 25.42 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.352 -0.84 . . . . 65.310000000000002 109.132 174.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.424 HG21 ' SD ' ' A' ' 67' ' ' MET . 26.9 mm -96.66 136.24 28.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 N-CA-C 108.549 -0.908 . . . . 73.540000000000006 108.549 176.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.3 mt -113.61 149.62 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 107.244 -1.391 . . . . 54.329999999999998 107.244 166.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.4 t -151.73 154.37 36.18 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.394 -0.595 . . . . 55.130000000000003 109.394 171.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -90.8 -20.0 22.83 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.351 -0.84 . . . . 55.219999999999999 111.139 -173.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -134.15 145.71 49.52 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 122.604 0.362 . . . . 65.409999999999997 111.444 -166.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.512 ' HA ' HD12 ' A' ' 64' ' ' LEU . 87.3 mttt -70.57 -34.93 72.74 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.595 1.158 . . . . 42.310000000000002 112.345 -173.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.01 -35.98 82.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.881 0.472 . . . . 53.149999999999999 110.69 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.449 HD13 HG12 ' A' ' 32' ' ' VAL . 50.9 mt -67.93 -51.72 44.48 Favored 'General case' 0 C--O 1.244 0.784 0 N-CA-C 109.535 -0.543 . . . . 64.439999999999998 109.535 179.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.522 HD11 ' HB2' ' A' ' 8' ' ' ASN . 74.8 mt -50.41 -46.79 56.57 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-N 114.771 -1.104 . . . . 71.349999999999994 111.278 176.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -61.09 -48.52 81.31 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 114.674 -1.148 . . . . 73.450000000000003 111.03 -171.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -60.25 -41.24 92.8 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.872 0.733 . . . . 74.310000000000002 111.054 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.474 ' O ' HG13 ' A' ' 71' ' ' ILE . 32.0 mtt -57.3 -47.2 82.09 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-O 118.762 -0.637 . . . . 60.020000000000003 110.43 176.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 41.9 mt -55.87 -41.61 74.67 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.684 0.794 . . . . 71.230000000000004 111.564 -176.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.37 -42.84 95.97 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.357 -0.838 . . . . 70.040000000000006 109.889 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.68 -40.91 79.89 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 115.277 -0.874 . . . . 75.310000000000002 111.935 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 67' ' ' MET . 38.7 mt -63.06 -37.55 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 C-N-CA 123.371 0.669 . . . . 75.430000000000007 109.409 178.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.7 t -60.19 -48.18 82.8 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 114.623 -1.171 . . . . 63.039999999999999 110.834 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.23 -15.53 56.77 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 112.204 0.446 . . . . 74.530000000000001 112.204 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.451 HD22 ' HB2' ' A' ' 46' ' ' ALA . 85.2 mt -78.67 -22.83 46.17 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 109.425 -0.583 . . . . 74.340000000000003 109.425 171.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.84 9.16 68.61 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 116.18 -0.463 . . . . 61.329999999999998 113.247 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.416 ' HB2' HG23 ' A' ' 71' ' ' ILE . 21.9 m-85 -85.28 171.81 11.62 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.271 0.628 . . . . 61.439999999999998 110.403 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -83.0 131.68 35.18 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.316 -0.402 . . . . 73.540000000000006 110.15 177.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.8 t -89.91 129.01 41.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 123.576 0.75 . . . . 71.340000000000003 109.191 171.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -136.22 127.0 27.37 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 105.922 -1.881 . . . . 72.340000000000003 105.922 169.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.1 tp -119.88 147.9 44.14 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.175 -1.046 . . . . 75.219999999999999 108.175 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.5 tp -145.7 119.42 9.21 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 106.166 -1.79 . . . . 74.109999999999999 106.166 178.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.66 HD13 ' HB3' ' A' ' 90' ' ' LEU . 0.9 OUTLIER -126.75 141.67 51.77 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.041 0.448 . . . . 73.340000000000003 111.234 -174.401 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.44 148.07 35.55 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 114.919 -1.037 . . . . 72.150000000000006 108.475 177.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.494 ' N ' HD11 ' A' ' 90' ' ' LEU . 28.7 t70 -164.47 158.42 18.33 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 114.771 -1.104 . . . . 71.129999999999995 108.129 174.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.86 -16.01 62.67 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.58 0.752 . . . . 72.25 110.588 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -117.47 97.13 5.72 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.479 1.111 . . . . 73.140000000000001 108.515 169.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -70.84 -16.46 62.72 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.314 0.646 . . . . 73.010000000000005 112.098 -176.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -66.76 -25.63 66.58 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.782 0.433 . . . . 73.340000000000003 110.704 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -73.7 -32.38 63.89 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.61 0.764 . . . . 71.230000000000004 110.967 175.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.66 ' HB3' HD13 ' A' ' 82' ' ' LEU . 89.2 mt -74.52 -47.54 32.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.07 0.948 . . . . 72.209999999999994 111.692 -175.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.85 -34.33 77.68 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.812 0.695 . . . . 53.350000000000001 112.145 -174.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -69.05 -45.68 69.8 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 122.818 0.447 . . . . 71.019999999999996 110.946 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.506 ' O ' HG12 ' A' ' 97' ' ' ILE . 30.6 t80 -61.08 -41.77 97.26 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 109.553 -0.536 . . . . 71.129999999999995 109.553 174.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.551 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 29.0 ttpp -66.18 -42.68 88.57 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.817 0.847 . . . . 73.549999999999997 112.103 -172.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -63.89 -25.91 68.37 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.392 0.277 . . . . 72.319999999999993 111.664 -177.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -68.47 -48.54 64.22 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.203 0.601 . . . . 75.25 110.409 169.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.506 HG12 ' O ' ' A' ' 93' ' ' PHE . 38.1 mm -62.31 -44.08 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 C-N-CA 124.129 0.972 . . . . 74.340000000000003 110.994 -175.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.36 -38.79 90.91 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.694 1.198 . . . . 65.200000000000003 111.552 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.8 t -66.91 -32.07 73.08 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.017 0.527 . . . . 74.129999999999995 110.931 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -88.61 7.08 35.13 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.855 0.862 . . . . 63.409999999999997 111.514 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 72.13 25.46 74.57 Favored Glycine 0 C--N 1.348 1.241 0 O-C-N 123.302 0.377 . . . . 64.040000000000006 113.84 174.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -96.78 128.54 43.83 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 109.34 -0.615 . . . . 75.230000000000004 109.34 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.54 123.15 19.24 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.395 0.678 . . . . 74.540000000000006 110.422 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.0 p -141.1 141.94 30.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 123.729 0.812 . . . . 54.340000000000003 111.126 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -121.88 142.96 49.73 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.932 0.893 . . . . 74.25 109.026 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.551 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 26.0 ttpp -115.14 138.13 51.25 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.508 0.723 . . . . 64.140000000000001 110.964 -177.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.22 -179.16 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.186 0.994 . . . . 74.239999999999995 108.961 173.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.8 m -140.21 -42.89 0.42 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.196 0.998 . . . . 73.340000000000003 108.376 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.85 147.08 45.76 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 114.527 -1.215 . . . . 62.439999999999998 111.115 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -55.16 -50.04 70.31 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 114.426 -1.261 . . . . 74.010000000000005 110.079 170.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -65.27 -38.25 89.7 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.051 -0.977 . . . . 72.400000000000006 112.001 -175.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -75.94 -25.02 55.55 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.797 0.439 . . . . 73.030000000000001 111.278 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -72.44 -50.74 24.03 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 122.877 0.471 . . . . 63.240000000000002 110.377 175.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.411 HD22 ' HG3' ' A' ' 21' ' ' GLU . 93.8 mt -60.81 -34.85 75.15 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.758 0.823 . . . . 73.230000000000004 110.19 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -55.13 -59.04 5.31 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 114.583 -1.189 . . . . 73.239999999999995 111.053 176.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.519 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 32.3 mt -72.57 -25.28 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.161 0 C-N-CA 122.753 0.421 . . . . 72.430000000000007 111.938 -174.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 113' ' ' ALA . 70.9 t -58.17 -48.71 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 N-CA-C 109.971 -0.381 . . . . 62.539999999999999 109.971 168.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -70.17 -39.75 75.1 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.521 0.728 . . . . 71.140000000000001 111.261 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.519 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 40.1 mm-40 -61.68 -38.37 87.55 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 123.682 0.793 . . . . 75.319999999999993 111.868 178.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -53.19 -41.39 65.21 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.762 0.425 . . . . 74.439999999999998 110.497 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 16.5 mmt -60.07 -37.1 78.88 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 124.086 0.866 . . . . 53.409999999999997 111.102 -174.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -92.05 -26.72 18.2 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.159 0.584 . . . . 72.230000000000004 112.041 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -83.55 -19.36 35.77 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.327 0.651 . . . . 73.209999999999994 111.086 -178.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -88.77 15.38 8.39 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.772 0.829 . . . . 50.340000000000003 110.495 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 76.31 75.83 0.85 Allowed Glycine 0 C--N 1.347 1.183 0 CA-C-N 115.724 -0.671 . . . . 74.219999999999999 112.243 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.7 p -74.97 71.2 2.05 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-O 122.171 0.986 . . . . 62.340000000000003 108.565 169.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.1 mt -73.41 113.56 10.64 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 114.308 -1.315 . . . . 71.120000000000005 109.682 -171.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -76.99 75.7 3.56 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.524 0.678 . . . . 53.530000000000001 109.565 175.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -76.05 -29.89 58.2 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 106.979 -1.489 . . . . 72.319999999999993 106.979 168.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -113.25 101.64 9.6 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 106.772 -1.566 . . . . 74.439999999999998 106.772 165.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -72.62 86.37 1.2 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 108.587 -0.894 . . . . 72.200000000000003 108.587 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -106.57 114.81 29.14 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 114.569 -1.196 . . . . 74.420000000000002 111.488 -167.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -74.54 168.39 19.85 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 109.511 -0.552 . . . . 73.510000000000005 109.511 170.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 . . . . . 0 CA--C 1.556 1.191 0 CA-C-O 119.121 -0.466 . . . . 74.140000000000001 110.721 -179.68 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 120.949 0.404 . . . . 43.210000000000001 109.912 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.423 ' O ' ' HB3' ' A' ' 76' ' ' TYR . 2.0 tppp? -149.75 120.9 7.77 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 105.903 -1.888 . . . . 65.319999999999993 105.903 177.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -95.2 128.18 41.83 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.565 -0.532 . . . . 63.229999999999997 109.565 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.467 HD11 HD13 ' A' ' 45' ' ' LEU . 3.5 mm? -123.58 110.49 15.09 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 107.428 -1.323 . . . . 75.329999999999998 107.428 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.4 HG23 ' HG ' ' A' ' 55' ' ' LEU . 8.4 tt -97.15 124.86 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 108.045 -1.095 . . . . 71.340000000000003 108.045 170.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.571 ' HB3' HD22 ' A' ' 64' ' ' LEU . 5.0 mp -106.71 122.03 45.54 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 107.885 -1.154 . . . . 63.43 107.885 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.477 HG21 HD13 ' A' ' 18' ' ' ILE . 2.4 mp -101.29 143.93 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 108.509 -0.923 . . . . 75.230000000000004 108.509 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.49 ' HB2' HD11 ' A' ' 64' ' ' LEU . 22.2 t-20 -118.99 109.07 15.52 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 109.143 -0.688 . . . . 73.329999999999998 109.143 172.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.639 HG23 HD13 ' A' ' 15' ' ' ILE . 2.0 t -146.08 122.84 11.22 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.428 -0.953 . . . . 72.510000000000005 108.428 170.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -86.16 -13.51 46.85 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.495 0.718 . . . . 72.430000000000007 109.245 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -75.17 102.75 5.07 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.245 0.618 . . . . 63.039999999999999 109.925 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 2.8 m-20 -45.05 -44.9 10.55 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 125.212 1.405 . . . . 75.329999999999998 112.326 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -62.53 -41.53 98.93 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.829 0.852 . . . . 70.120000000000005 111.489 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.1 tp -69.47 -36.32 76.45 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.841 -0.618 . . . . 54.109999999999999 110.762 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.639 HD13 HG23 ' A' ' 9' ' ' THR . 3.6 mm -53.21 -45.62 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 109.539 -0.541 . . . . 63.509999999999998 109.539 176.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 69.5 mmtt -58.69 -46.22 87.73 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.764 -1.107 . . . . 74.129999999999995 110.765 -176.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' HE2' HD11 ' A' ' 114' ' ' LEU . 50.9 mtpt -72.72 -35.44 67.56 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 114.553 -1.203 . . . . 64.340000000000003 111.076 -174.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.615 ' O ' HG23 ' A' ' 22' ' ' VAL . 76.6 mt -63.48 -46.72 94.41 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 N-CA-C 109.393 -0.595 . . . . 72.0 109.393 175.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.502 ' HE3' HG22 ' A' ' 15' ' ' ILE . 97.3 mttt -55.14 -36.4 65.73 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.124 0.57 . . . . 73.519999999999996 111.179 177.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -62.49 -47.99 81.53 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.5 0.72 . . . . 74.299999999999997 110.935 174.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 24.9 mm-40 -57.77 -46.35 84.68 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.951 0.782 . . . . 74.310000000000002 110.013 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 18' ' ' ILE . 21.7 t -64.23 -32.87 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.032 0.933 . . . . 71.299999999999997 110.867 -175.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -73.09 -35.29 66.59 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.033 0.533 . . . . 72.040000000000006 110.939 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -68.22 -34.91 77.11 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.462 0.705 . . . . 64.519999999999996 109.992 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 79.3 mm-40 -87.14 -22.68 25.19 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 114.927 -1.033 . . . . 63.130000000000003 111.17 -177.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.72 49.05 11.22 Favored Glycine 0 C--N 1.343 0.947 0 CA-C-N 116.02 -0.536 . . . . 72.040000000000006 113.286 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.435 ' HB2' HG13 ' A' ' 22' ' ' VAL . 2.7 m-85 -111.66 169.72 8.63 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.53 1.132 . . . . 71.540000000000006 108.962 172.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.502 ' HB2' HG23 ' A' ' 54' ' ' ILE . 65.5 mt-30 -87.15 118.61 26.67 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 122.57 0.348 . . . . 73.120000000000005 110.423 -178.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.6 t -79.48 118.06 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.173 0.589 . . . . 63.130000000000003 110.521 177.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -126.92 133.02 50.74 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.254 1.022 . . . . 73.329999999999998 108.443 167.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -130.57 117.09 19.05 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.921 0.488 . . . . 72.040000000000006 109.97 170.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.555 HG11 ' HB3' ' A' ' 38' ' ' LEU . 27.3 t -84.32 123.2 38.81 Favored 'Isoleucine or valine' 0 C--O 1.242 0.69 0 C-N-CA 124.041 0.936 . . . . 75.310000000000002 109.518 176.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -106.34 -24.65 12.21 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.506 0.722 . . . . 74.450000000000003 110.002 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -139.75 150.07 44.34 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.958 0.903 . . . . 73.329999999999998 110.474 -170.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 m -65.76 -24.64 66.99 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.009 0.924 . . . . 73.530000000000001 113.096 -173.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -76.16 -30.25 58.05 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 122.413 0.285 . . . . 74.099999999999994 110.324 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -66.01 -39.86 90.61 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.726 0.41 . . . . 51.450000000000003 111.531 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.555 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.1 pp -67.08 -40.53 87.0 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 123.386 0.429 . . . . 71.329999999999998 111.856 -172.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -63.7 -34.44 77.87 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.925 0.393 . . . . 71.120000000000005 110.378 -176.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -72.36 -44.67 62.23 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.092 0.957 . . . . 73.319999999999993 111.134 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.527 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 11.0 pt-20 -78.21 -29.84 48.59 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 119.438 -0.315 . . . . 75.239999999999995 111.679 -176.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 34.4 mmt -58.8 -31.91 68.85 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 122.841 0.456 . . . . 70.400000000000006 110.261 171.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -70.03 -47.61 61.38 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 115.954 -0.566 . . . . 74.430000000000007 110.193 174.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -52.87 -44.18 66.65 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 123.83 0.852 . . . . 64.319999999999993 111.216 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 56.6 mt -66.79 -29.7 69.71 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.187 0.995 . . . . 72.239999999999995 111.98 -177.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.09 -26.75 16.61 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.88 0.872 . . . . 73.319999999999993 112.236 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.03 -42.51 16.09 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.414 0.685 . . . . 73.129999999999995 109.991 -177.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -71.59 117.62 13.39 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 108.07 -1.085 . . . . 74.200000000000003 108.07 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.536 ' HD2' ' H ' ' A' ' 49' ' ' LYS . 3.1 mptp? -68.34 -63.79 0.99 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.905 0.882 . . . . 74.010000000000005 111.065 -164.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -131.91 111.55 11.67 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 109.193 -0.669 . . . . 63.509999999999998 109.193 -178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -149.68 172.65 14.73 Favored 'General case' 0 C--O 1.246 0.868 0 C-N-CA 124.936 1.294 . . . . 61.340000000000003 107.651 169.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -68.45 158.72 33.12 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.087 0.47 . . . . 65.549999999999997 111.532 -174.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.437 ' HD3' ' HB1' ' A' ' 124' ' ' ALA . 10.1 ptpt -70.67 146.56 49.87 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 114.913 -1.04 . . . . 72.299999999999997 110.975 -175.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.502 HG23 ' HB2' ' A' ' 28' ' ' GLN . 3.5 mp -113.16 143.77 22.17 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 CA-C-N 115.48 -0.782 . . . . 62.530000000000001 109.765 -163.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.561 HD22 HG21 ' A' ' 22' ' ' VAL . 6.2 tt -101.75 111.15 23.31 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 108.502 -0.925 . . . . 70.420000000000002 108.502 173.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.0 mm -96.46 141.21 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 124.212 1.005 . . . . 63.240000000000002 108.373 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.3 mt -125.1 157.77 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 106.681 -1.6 . . . . 72.129999999999995 106.681 171.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.4 m -141.62 145.08 34.59 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 123.124 0.57 . . . . 50.509999999999998 109.623 167.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -78.12 -13.8 59.72 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 114.686 -1.143 . . . . 72.010000000000005 110.085 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -137.43 155.67 49.07 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.557 1.143 . . . . 70.209999999999994 110.373 -172.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -87.26 -31.0 20.49 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.06 0.944 . . . . 75.310000000000002 112.582 -173.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -70.49 -26.16 63.48 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.856 0.462 . . . . 50.200000000000003 110.817 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.451 HD13 HG12 ' A' ' 32' ' ' VAL . 56.2 mt -62.75 -43.54 98.53 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 121.643 0.735 . . . . 62.439999999999998 109.603 173.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.571 HD22 ' HB3' ' A' ' 6' ' ' LEU . 92.8 mt -64.75 -47.59 77.65 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 114.428 -1.26 . . . . 55.100000000000001 110.964 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -53.16 -45.0 68.25 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 123.887 0.742 . . . . 74.450000000000003 110.906 -173.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -61.39 -56.55 19.02 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.469 -0.787 . . . . 74.329999999999998 111.348 173.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.465 ' SD ' ' HB2' ' A' ' 38' ' ' LEU . 76.1 mtm -62.3 -38.5 89.65 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 113.42 0.896 . . . . 74.230000000000004 113.42 -172.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.518 HD21 HD13 ' A' ' 80' ' ' LEU . 78.1 mt -52.97 -43.23 66.24 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.774 0.83 . . . . 51.340000000000003 110.874 177.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -81.55 -27.01 34.56 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 114.813 -1.085 . . . . 62.100000000000001 111.253 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.47 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 85.9 mt -71.05 -51.76 23.44 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.005 0.522 . . . . 64.140000000000001 110.399 176.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 70.7 mt -60.06 -32.19 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.443 1.097 . . . . 71.230000000000004 110.492 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.1 t -66.77 -43.89 82.83 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.591 -0.732 . . . . 71.230000000000004 111.07 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -16.33 57.79 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 117.725 0.239 . . . . 53.450000000000003 111.27 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 83.3 mt -70.66 -31.48 68.42 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 108.63 -0.878 . . . . 62.409999999999997 108.63 167.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.47 25.63 25.31 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.181 -0.918 . . . . 53.409999999999997 111.774 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.423 ' HB3' ' O ' ' A' ' 2' ' ' LYS . 21.2 m-30 -92.73 167.73 11.69 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 123.79 0.836 . . . . 64.25 111.042 175.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.52 ' HD3' HD22 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -81.08 118.99 22.98 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.244 -0.889 . . . . 64.230000000000004 109.404 177.362 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.6 t -101.04 128.56 53.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.341 0.656 . . . . 62.43 110.127 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -125.44 151.0 46.79 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 106.297 -1.742 . . . . 71.439999999999998 106.297 171.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.53 HD11 HD13 ' A' ' 64' ' ' LEU . 43.8 tp -139.32 148.06 42.43 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.462 0.705 . . . . 75.430000000000007 109.59 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.542 HD13 HG21 ' A' ' 116' ' ' ILE . 35.5 tp -139.84 134.8 32.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.258 -1.756 . . . . 73.5 106.258 174.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.35 142.12 39.69 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 120.937 0.399 . . . . 62.009999999999998 111.085 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.01 147.14 39.98 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.386 -0.824 . . . . 74.120000000000005 109.542 178.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -146.39 175.17 10.74 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 124.638 1.175 . . . . 70.310000000000002 108.829 173.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -78.12 -37.45 46.21 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.208 -0.905 . . . . 75.209999999999994 108.836 168.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -98.25 137.98 36.19 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.204 1.002 . . . . 72.010000000000005 110.122 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.416 ' HA ' HD12 ' A' ' 90' ' ' LEU . 2.3 tm-20 -88.88 -27.62 20.89 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.171 0.588 . . . . 63.240000000000002 110.888 -174.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -62.51 -36.03 81.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 122.003 -0.435 . . . . 73.109999999999999 110.493 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -64.18 -42.18 96.81 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.121 0.568 . . . . 73.200000000000003 110.386 174.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 87' ' ' GLU . 82.1 mt -61.3 -55.46 31.56 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.195 0.998 . . . . 43.25 112.337 -176.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -68.05 -34.88 77.3 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 123.716 0.635 . . . . 75.549999999999997 111.685 -172.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 1.4 pp20? -74.33 -38.33 63.31 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 110.406 -0.22 . . . . 74.400000000000006 110.406 -176.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.444 ' O ' HG12 ' A' ' 97' ' ' ILE . 10.9 t80 -71.68 -41.02 69.17 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.955 0.502 . . . . 74.420000000000002 110.177 176.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.585 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 19.4 ttpp -62.82 -43.06 99.8 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.199 0.599 . . . . 74.239999999999995 111.307 -177.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -68.16 -21.6 64.9 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 115.899 -0.591 . . . . 74.329999999999998 111.692 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 32.6 mmtp -65.71 -47.07 76.59 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.943 -0.762 . . . . 54.420000000000002 108.943 170.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 93' ' ' PHE . 24.6 mm -68.5 -32.6 56.0 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 CA-C-N 114.368 -1.287 . . . . 72.310000000000002 110.973 -174.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -53.74 -48.83 69.27 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.634 0.773 . . . . 70.209999999999994 110.557 168.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.1 m -67.08 -40.07 86.92 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.886 0.875 . . . . 72.349999999999994 111.299 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -69.86 -20.68 63.4 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.982 0.913 . . . . 63.549999999999997 111.785 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.05 32.15 7.26 Favored Glycine 0 C--N 1.342 0.887 0 N-CA-C 113.869 0.307 . . . . 61.240000000000002 113.869 172.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -121.45 130.77 53.77 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.357 0.663 . . . . 73.310000000000002 109.233 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.63 123.19 23.54 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 109.543 -0.54 . . . . 75.400000000000006 109.543 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.5 p -135.82 136.77 49.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.649 0.78 . . . . 64.519999999999996 111.346 -170.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -109.24 155.8 20.67 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 124.283 1.033 . . . . 74.010000000000005 110.142 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.585 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -136.31 127.72 28.48 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.072 -0.967 . . . . 63.130000000000003 109.397 -171.708 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.1 m -140.02 143.97 28.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.163 0.985 . . . . 63.32 109.478 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.8 m -102.59 -21.36 14.18 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.088 0.555 . . . . 64.129999999999995 109.591 168.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -90.15 143.11 27.07 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.639 0.776 . . . . 74.25 112.022 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -50.4 74.19 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.762 1.225 . . . . 64.099999999999994 110.544 169.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 11.4 pt-20 -56.7 -45.33 81.89 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 124.078 0.861 . . . . 54.100000000000001 111.026 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.475 ' O ' HG12 ' A' ' 116' ' ' ILE . 17.3 mm-40 -70.77 -30.2 66.62 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.344 0.658 . . . . 73.430000000000007 111.594 -176.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.57 89.98 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.961 0.504 . . . . 73.450000000000003 110.484 176.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.449 HD11 ' HE2' ' A' ' 17' ' ' LYS . 70.5 mt -66.83 -32.54 73.88 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.617 -0.72 . . . . 74.019999999999996 110.329 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 32.7 mmmt -63.62 -48.31 77.86 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 123.656 0.597 . . . . 63.0 110.431 175.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.542 HG21 HD13 ' A' ' 81' ' ' LEU . 50.9 mm -62.53 -35.08 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 C-N-CA 123.196 0.598 . . . . 75.439999999999998 111.567 -177.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 93.8 t -56.38 -45.86 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 122.866 0.466 . . . . 60.420000000000002 109.797 174.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -70.83 -38.93 73.26 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 123.77 0.828 . . . . 64.109999999999999 110.893 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 21.9 mm-40 -60.07 -37.31 79.52 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.923 0.889 . . . . 74.230000000000004 111.691 177.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.18 -33.93 76.54 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 123.426 0.454 . . . . 73.0 110.966 176.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.414 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 16.5 mmt -65.39 -34.46 78.36 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 112.205 0.446 . . . . 72.120000000000005 112.205 -174.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -88.91 -29.51 19.55 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.804 0.442 . . . . 54.140000000000001 110.694 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -63.72 -42.77 97.87 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.805 0.842 . . . . 64.209999999999994 110.003 173.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.437 ' HB1' ' HD3' ' A' ' 53' ' ' LYS . . . -77.07 -23.86 51.95 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.193 0.997 . . . . 64.439999999999998 110.839 -173.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -61.1 -19.45 56.95 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-N 116.083 -0.508 . . . . 64.420000000000002 112.719 170.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 56.9 p -123.69 11.45 9.13 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 123.77 0.828 . . . . 72.519999999999996 112.239 177.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.52 HD22 ' HD3' ' A' ' 77' ' ' LYS . 29.7 mt -85.06 30.7 0.58 Allowed 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 121.372 0.606 . . . . 61.229999999999997 110.847 174.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.12 -19.41 32.25 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.081 1.352 . . . . 73.239999999999995 111.856 167.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -60.8 85.64 0.01 OUTLIER 'General case' 0 C--N 1.361 1.108 0 C-N-CA 124.443 1.097 . . . . 72.129999999999995 110.427 177.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -80.28 154.91 27.55 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-N 114.269 -1.332 . . . . 74.230000000000004 108.422 172.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -69.51 143.35 53.48 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 109.256 -0.646 . . . . 64.409999999999997 109.256 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -70.91 100.28 1.92 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 121.315 0.579 . . . . 74.540000000000006 109.646 175.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -76.97 153.82 34.17 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.459 -0.791 . . . . 75.299999999999997 111.508 -173.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 76.1 t60 . . . . . 0 C--O 1.253 1.273 0 N-CA-C 107.612 -1.255 . . . . 73.010000000000005 107.612 173.079 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.5 mtm . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 110.216 -0.291 . . . . 74.540000000000006 110.216 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -136.57 158.65 43.95 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 107.754 -1.202 . . . . 34.420000000000002 107.754 171.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 2.9 mp0 -109.27 131.06 55.42 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.302 0.572 . . . . 52.020000000000003 110.19 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -120.5 111.88 18.25 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 107.414 -1.328 . . . . 71.209999999999994 107.414 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 tt -103.37 116.65 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.396 0.678 . . . . 41.149999999999999 109.252 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mp -102.69 121.93 43.42 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.811 -0.811 . . . . 74.400000000000006 108.811 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.544 HG21 HD13 ' A' ' 18' ' ' ILE . 2.8 mp -100.28 141.22 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 108.259 -1.015 . . . . 72.310000000000002 108.259 176.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.51 ' HB2' HD11 ' A' ' 64' ' ' LEU . 3.4 t-20 -113.58 106.82 14.99 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 123.723 0.809 . . . . 73.319999999999993 108.888 174.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.423 HG23 HG12 ' A' ' 15' ' ' ILE . 3.8 t -146.25 131.0 17.97 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 123.587 0.755 . . . . 71.340000000000003 109.894 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -94.49 -6.49 43.75 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.31 1.044 . . . . 73.239999999999995 109.923 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.477 ' O ' HG13 ' A' ' 15' ' ' ILE . 48.0 t-20 -82.11 113.43 19.96 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.437 1.095 . . . . 64.450000000000003 109.341 -176.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.36 -46.85 85.48 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.487 1.115 . . . . 75.540000000000006 111.088 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -63.46 -41.55 98.61 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 113.917 -1.492 . . . . 74.120000000000005 110.249 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' A' ' 110' ' ' ASP . 60.2 tp -69.81 -37.6 76.32 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 118.678 -0.677 . . . . 63.0 111.265 -177.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.494 HG22 ' HE3' ' A' ' 19' ' ' LYS . 65.8 mt -55.19 -42.38 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 N-CA-C 109.106 -0.701 . . . . 62.539999999999999 109.106 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -61.86 -46.68 88.35 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 124.164 0.915 . . . . 72.319999999999993 111.301 177.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.623 ' HE2' HD11 ' A' ' 114' ' ' LEU . 57.0 mtpt -60.05 -44.09 94.92 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.769 0.828 . . . . 74.319999999999993 111.139 -178.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.544 HD13 HG21 ' A' ' 7' ' ' ILE . 76.1 mt -60.38 -51.54 71.76 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 O-C-N 124.405 1.066 . . . . 71.340000000000003 108.841 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.684 ' HG2' HG11 ' A' ' 29' ' ' VAL . 89.5 mttt -52.64 -41.01 63.38 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 124.448 1.092 . . . . 74.299999999999997 111.327 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 20' ' ' LYS . 71.3 mmtt -68.03 -41.7 81.72 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 123.754 0.659 . . . . 74.420000000000002 111.269 -178.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 25.6 mm-40 -59.01 -42.98 91.43 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 123.83 0.706 . . . . 74.030000000000001 110.472 173.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 18' ' ' ILE . 67.0 t -73.48 -29.69 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 124.568 1.147 . . . . 72.019999999999996 111.249 -175.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -75.95 -27.91 57.73 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.513 0.725 . . . . 73.239999999999995 110.746 174.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -68.8 -23.51 64.29 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.056 0.542 . . . . 73.430000000000007 110.031 174.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.723 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 72.7 mm-40 -97.54 -29.12 13.64 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.206 1.003 . . . . 73.219999999999999 110.624 178.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.0 39.41 7.48 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 115.732 -0.667 . . . . 45.119999999999997 114.515 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.438 ' HB2' HG13 ' A' ' 22' ' ' VAL . 1.0 OUTLIER -97.51 170.03 9.32 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.257 0.623 . . . . 75.519999999999996 110.104 176.284 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.451 HE22 ' HG3' ' A' ' 52' ' ' GLU . 2.5 mp0 -92.04 113.38 25.64 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.329 -0.989 . . . . 73.219999999999999 108.329 -176.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.684 HG11 ' HG2' ' A' ' 19' ' ' LYS . 21.3 t -93.81 136.42 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 CA-C-N 118.143 0.429 . . . . 52.229999999999997 110.388 177.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -133.22 132.88 42.01 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 107.797 -1.186 . . . . 40.329999999999998 107.797 162.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -107.24 116.58 32.18 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 108.0 -1.111 . . . . 61.439999999999998 108.0 170.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.591 HG12 HD13 ' A' ' 63' ' ' LEU . 86.4 t -92.09 122.27 43.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 C-N-CA 124.511 1.124 . . . . 61.119999999999997 109.415 178.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -109.87 -14.69 14.24 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.748 0.819 . . . . 74.019999999999996 110.399 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -150.36 156.39 41.42 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.512 0.725 . . . . 75.209999999999994 110.887 -176.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.9 m -62.66 -24.23 67.51 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.142 0.977 . . . . 64.319999999999993 112.737 -177.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -76.29 -23.47 54.37 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.057 0.143 . . . . 74.299999999999997 110.676 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.52 -47.5 32.57 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.38 0.672 . . . . 74.349999999999994 110.889 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.536 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.4 pp -71.52 -33.55 69.29 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 112.375 0.509 . . . . 52.219999999999999 112.375 -173.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -65.48 -32.99 74.9 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.755 0.312 . . . . 75.319999999999993 110.447 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -67.65 -44.99 76.58 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 115.237 -0.892 . . . . 55.100000000000001 109.823 174.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 52.3 mm-40 -70.35 -34.34 72.52 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.732 0.641 . . . . 74.209999999999994 112.732 -175.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 36.6 mmt -65.39 -35.9 82.34 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 109.469 -0.567 . . . . 75.230000000000004 109.469 174.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 64.3 tttp -68.12 -43.33 78.64 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 115.558 -0.747 . . . . 63.229999999999997 110.111 174.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -55.43 -36.93 67.03 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 124.507 1.123 . . . . 64.109999999999999 111.191 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 66.8 mt -67.72 -44.6 77.25 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.359 -0.837 . . . . 74.310000000000002 109.756 176.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.81 -22.92 63.26 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.148 0.979 . . . . 65.230000000000004 112.092 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 14.1 mm-40 -77.73 -54.99 5.72 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 108.437 -0.949 . . . . 63.350000000000001 108.437 174.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -114.56 105.79 13.5 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 114.528 -1.214 . . . . 70.319999999999993 110.629 -170.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -101.81 -4.04 27.0 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.786 0.834 . . . . 73.540000000000006 109.094 170.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -87.01 29.05 0.85 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.586 1.555 . . . . 70.319999999999993 112.504 -172.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -147.33 176.66 9.83 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.293 0.637 . . . . 74.219999999999999 109.867 172.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.451 ' HG3' HE22 ' A' ' 28' ' ' GLN . 5.9 pt-20 -77.77 -179.83 6.2 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.193 0.997 . . . . 62.219999999999999 112.681 -173.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 14.1 ptpt -66.59 153.55 42.75 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.018 1.327 . . . . 54.130000000000003 112.694 -174.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.0 mp -122.48 143.1 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.873 0.869 . . . . 75.5 109.514 -169.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 tt -108.65 121.86 45.9 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.456 1.103 . . . . 65.140000000000001 109.699 175.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.4 mm -106.05 145.98 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.003 0 C-N-CA 124.196 0.998 . . . . 71.120000000000005 109.289 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 61.8 mt -126.33 149.26 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 107.134 -1.432 . . . . 73.120000000000005 107.134 170.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.4 t -155.52 151.04 27.18 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.447 0.699 . . . . 71.450000000000003 109.41 174.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -87.82 -38.31 15.81 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.318 0.647 . . . . 74.150000000000006 109.752 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -95.39 143.78 26.46 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.088 0.955 . . . . 73.129999999999995 110.486 -176.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 89' ' ' GLU . 61.8 mttp -86.28 -23.47 26.32 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.938 0.895 . . . . 61.520000000000003 112.27 -174.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -77.4 -23.18 50.73 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.321 0.248 . . . . 71.319999999999993 110.531 178.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.591 HD13 HG12 ' A' ' 32' ' ' VAL . 74.2 mt -67.79 -44.25 77.81 Favored 'General case' 0 C--O 1.253 1.284 0 N-CA-C 109.387 -0.598 . . . . 75.329999999999998 109.387 170.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.561 HD13 HD11 ' A' ' 80' ' ' LEU . 87.1 mt -55.26 -49.66 71.48 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 114.473 -1.24 . . . . 61.219999999999999 109.575 175.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -48.1 -53.12 17.63 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.456 1.098 . . . . 74.109999999999999 110.761 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -53.54 -53.79 46.63 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 124.511 1.132 . . . . 73.329999999999998 111.215 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 77.5 mtm -64.3 -47.41 79.58 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.583 -0.735 . . . . 65.340000000000003 112.161 -175.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 73.0 mt -52.25 -40.03 61.16 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 124.486 1.114 . . . . 71.519999999999996 111.319 -178.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -73.55 -47.72 38.51 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.053 -0.976 . . . . 50.130000000000003 110.909 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.66 -48.71 76.13 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 123.619 0.574 . . . . 71.450000000000003 112.072 -175.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 96.3 mt -54.54 -35.92 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 125.313 1.445 . . . . 72.239999999999995 111.588 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.6 t -59.05 -50.57 73.56 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.971 0.908 . . . . 71.140000000000001 111.463 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.456 ' HD2' ' H ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -86.05 -7.23 58.76 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 111.652 0.241 . . . . 72.319999999999993 111.652 179.102 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.0 mt -72.42 -24.49 61.24 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 108.917 -0.771 . . . . 73.450000000000003 108.917 166.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.4 39.94 3.82 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 111.37 -0.692 . . . . 54.130000000000003 111.37 171.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.406 ' HE2' ' HB3' ' A' ' 45' ' ' LEU . 17.2 m-85 -123.63 152.03 42.39 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.932 0.893 . . . . 63.530000000000001 109.693 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -67.54 119.52 12.46 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 123.919 0.762 . . . . 73.340000000000003 110.002 171.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.2 t -92.13 110.17 22.41 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 C-N-CA 123.576 0.75 . . . . 61.439999999999998 109.537 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -112.18 144.22 41.94 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 108.174 -1.047 . . . . 72.420000000000002 108.174 173.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.561 HD11 HD13 ' A' ' 64' ' ' LEU . 51.9 tp -137.05 146.97 45.84 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.351 -0.981 . . . . 73.129999999999995 108.351 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.0 tp -144.86 120.88 10.72 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.346 -1.724 . . . . 73.549999999999997 106.346 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -123.54 134.98 53.78 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.453 0.645 . . . . 74.430000000000007 110.501 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -130.8 144.19 51.28 Favored 'General case' 0 C--O 1.238 0.447 0 CA-C-N 114.864 -1.062 . . . . 72.409999999999997 108.37 176.262 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -165.87 163.5 18.63 Favored 'General case' 0 C--O 1.247 0.924 0 N-CA-C 108.331 -0.988 . . . . 74.310000000000002 108.331 174.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -71.34 -38.15 71.65 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.641 -0.503 . . . . 43.439999999999998 109.641 174.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -86.16 126.49 34.27 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.358 1.063 . . . . 54.020000000000003 109.284 175.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -91.36 -8.16 48.81 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 111.911 0.337 . . . . 75.109999999999999 111.911 -176.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -71.53 -39.09 70.96 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 118.902 0.774 . . . . 71.209999999999994 109.703 174.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.422 ' HB3' ' HE2' ' A' ' 61' ' ' LYS . 56.5 mm-40 -57.65 -37.36 73.22 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.23 1.012 . . . . 74.439999999999998 110.719 173.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 66.8 mt -78.1 -54.91 5.73 Favored 'General case' 0 C--O 1.209 -1.049 0 CA-C-N 115.522 -0.763 . . . . 75.120000000000005 111.351 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -67.8 -47.91 67.75 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.617 1.167 . . . . 65.209999999999994 111.244 -168.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 53.6 mt-10 -63.43 -48.18 78.82 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 123.669 0.606 . . . . 72.030000000000001 110.745 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.427 ' O ' HG12 ' A' ' 97' ' ' ILE . 58.8 t80 -67.13 -39.45 86.6 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 123.565 0.54 . . . . 71.200000000000003 110.18 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -58.73 -54.67 44.42 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.262 1.025 . . . . 60.399999999999999 111.327 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.455 ' NH2' ' HG2' ' A' ' 92' ' ' GLU . 22.6 ptt180 -65.38 -21.82 66.72 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 123.802 0.688 . . . . 75.230000000000004 111.702 -174.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 11.3 mmpt? -69.68 -49.07 57.11 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 109.795 -0.446 . . . . 64.400000000000006 109.795 170.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 93' ' ' PHE . 50.3 mm -65.34 -33.91 66.9 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.277 0 C-N-CA 123.778 0.831 . . . . 75.430000000000007 111.277 -177.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -62.83 -39.74 95.28 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.831 0.853 . . . . 65.409999999999997 110.726 172.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.8 t -68.16 -37.17 80.73 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.289 0.635 . . . . 55.340000000000003 110.568 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.409 ' NE2' HD13 ' A' ' 97' ' ' ILE . 32.8 mt-30 -69.45 -19.11 63.77 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.009 0.924 . . . . 73.219999999999999 111.541 175.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 98.44 1.92 57.79 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-O 119.556 -0.58 . . . . 65.329999999999998 114.059 173.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -86.32 144.59 27.3 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.024 0.53 . . . . 72.409999999999997 109.812 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.79 123.51 22.79 Favored 'General case' 0 C--N 1.344 0.367 0 N-CA-C 109.117 -0.697 . . . . 71.340000000000003 109.117 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 p -138.12 129.28 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.561 0.744 . . . . 50.210000000000001 110.127 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -113.67 143.12 45.12 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.922 -0.769 . . . . 73.150000000000006 108.922 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.515 ' HA ' HD12 ' A' ' 82' ' ' LEU . 21.5 ptmt -113.88 143.71 44.23 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.204 0.602 . . . . 63.240000000000002 110.178 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 83' ' ' GLN . 6.7 m -152.57 130.18 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.835 1.254 . . . . 65.349999999999994 109.468 177.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.4 m -79.75 -33.08 41.01 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.47 0.652 . . . . 75.120000000000005 109.716 172.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -88.38 143.15 27.18 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.324 -0.853 . . . . 74.040000000000006 111.106 -174.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.472 ' HB2' HD13 ' A' ' 14' ' ' LEU . 6.1 p-10 -76.33 -31.6 58.23 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.155 0.982 . . . . 64.430000000000007 109.255 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -54.04 -52.3 61.31 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.394 1.878 . . . . 63.43 110.73 168.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -72.08 -24.14 61.45 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.48 -0.782 . . . . 73.129999999999995 111.954 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.434 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -66.61 -45.17 80.03 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.823 0.449 . . . . 72.340000000000003 110.111 174.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.623 HD11 ' HE2' ' A' ' 17' ' ' LYS . 95.6 mt -61.39 -37.24 82.72 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 123.769 0.668 . . . . 72.430000000000007 110.257 175.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -62.07 -53.53 54.18 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 124.127 0.892 . . . . 74.310000000000002 110.75 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 18.7 mt -69.92 -25.77 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.072 0.549 . . . . 75.150000000000006 112.333 -173.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.456 ' O ' ' HG3' ' A' ' 121' ' ' MET . 60.7 t -55.22 -44.88 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 109.653 -0.499 . . . . 65.230000000000004 109.653 167.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -75.61 -43.97 45.29 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 124.301 1.04 . . . . 72.040000000000006 111.308 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -54.27 -40.29 67.67 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.206 1.002 . . . . 65.219999999999999 111.058 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -57.25 -50.84 71.62 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.895 0.878 . . . . 73.200000000000003 110.836 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.723 ' SD ' ' HG3' ' A' ' 25' ' ' GLN . 59.1 mtt -65.09 -34.41 78.35 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.276 -0.875 . . . . 71.430000000000007 112.002 -168.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -81.18 -42.04 21.44 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 123.449 0.468 . . . . 63.210000000000001 110.935 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -74.84 -56.48 4.73 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.51 0.724 . . . . 63.439999999999998 111.441 -170.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.57 -35.82 81.95 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.22 0.608 . . . . 73.150000000000006 110.234 175.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -63.55 -27.82 71.5 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-N 115.279 -0.873 . . . . 72.430000000000007 113.784 176.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.8 m -70.68 -62.94 1.2 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.827 0.451 . . . . 71.030000000000001 110.502 173.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 44.4 tp 60.62 20.03 9.95 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 122.389 1.09 . . . . 54.310000000000002 111.113 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.09 -35.9 41.6 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.709 0.804 . . . . 75.430000000000007 111.351 -176.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 75.64 -59.58 0.52 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.545 1.538 . . . . 71.010000000000005 112.287 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -63.77 -8.51 10.81 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 115.332 1.605 . . . . 43.109999999999999 115.332 -165.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -69.23 -47.86 63.54 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 118.505 0.593 . . . . 75.109999999999999 110.889 171.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 176.51 163.16 0.41 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.596 1.558 . . . . 64.209999999999994 108.479 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -174.22 -175.35 0.99 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.789 0.836 . . . . 61.399999999999999 109.878 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 . . . . . 0 N--CA 1.481 1.094 0 C-N-CA 124.004 0.922 . . . . 72.200000000000003 110.072 172.486 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 109.898 -0.408 . . . . 51.420000000000002 109.898 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -103.92 123.24 46.8 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 108.822 -0.807 . . . . 65.219999999999999 108.822 169.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.522 ' HG3' ' HB3' ' A' ' 77' ' ' LYS . 3.2 mp0 -91.63 120.69 32.63 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.548 -0.908 . . . . 75.430000000000007 108.548 176.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.575 HD11 HD13 ' A' ' 45' ' ' LEU . 4.2 mm? -100.51 112.44 24.81 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 107.951 -1.129 . . . . 71.310000000000002 107.951 -177.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.427 ' HA ' ' HB3' ' A' ' 79' ' ' PHE . 5.1 tt -106.11 115.97 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.788 0.835 . . . . 74.030000000000001 109.258 -177.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mp -102.53 121.02 41.53 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.194 0.998 . . . . 63.240000000000002 108.352 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.503 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 2.8 mp -100.46 132.46 46.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 109.316 -0.624 . . . . 34.130000000000003 109.316 177.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.448 ' HB3' ' HA ' ' A' ' 82' ' ' LEU . 3.4 t-20 -99.08 113.12 25.16 Favored 'General case' 0 C--N 1.346 0.418 0 N-CA-C 107.404 -1.332 . . . . 73.450000000000003 107.404 168.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.649 HG23 HG12 ' A' ' 15' ' ' ILE . 2.5 t -148.37 117.71 6.92 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 109.302 -0.629 . . . . 64.299999999999997 109.302 169.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.68 -0.79 57.59 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.898 -0.592 . . . . 74.430000000000007 110.204 170.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -84.7 97.88 9.91 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.917 -1.142 . . . . 75.040000000000006 107.917 173.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -51.6 -38.57 55.17 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.444 1.498 . . . . 73.340000000000003 112.462 -176.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -60.09 -47.66 84.95 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 124.914 1.384 . . . . 74.129999999999995 110.127 -177.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' O ' HG13 ' A' ' 18' ' ' ILE . 52.8 tp -67.3 -38.5 85.11 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.771 -1.104 . . . . 73.140000000000001 111.142 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.649 HG12 HG23 ' A' ' 9' ' ' THR . 58.9 mt -52.85 -45.42 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 C-N-CA 122.911 0.484 . . . . 61.5 110.271 178.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -62.12 -42.43 99.23 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.208 -0.905 . . . . 31.129999999999999 111.045 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 58.2 mtpt -65.6 -46.0 81.03 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.242 -0.89 . . . . 75.540000000000006 110.886 -178.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.561 ' O ' HG23 ' A' ' 22' ' ' VAL . 74.9 mt -57.51 -46.32 86.01 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 C-N-CA 123.833 0.853 . . . . 71.310000000000002 109.873 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.616 ' HG2' HG11 ' A' ' 29' ' ' VAL . 85.4 mttt -51.55 -50.88 59.2 Favored 'General case' 0 N--CA 1.483 1.21 0 O-C-N 124.016 0.823 . . . . 61.210000000000001 111.447 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -66.42 -35.31 79.99 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 123.953 0.783 . . . . 74.219999999999999 111.808 -177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 36.1 mm-40 -57.45 -50.52 72.75 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 123.752 0.658 . . . . 75.519999999999996 109.797 174.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.569 HG21 HD22 ' A' ' 55' ' ' LEU . 54.6 t -71.45 -27.66 29.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 C-N-CA 125.184 1.394 . . . . 63.109999999999999 111.527 -174.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -71.6 -33.09 68.7 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.487 0.715 . . . . 62.130000000000003 110.78 175.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -83.92 -15.16 48.99 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 122.616 0.366 . . . . 52.030000000000001 110.864 174.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 84.2 mm-40 -83.28 -22.77 32.89 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.174 0.59 . . . . 74.549999999999997 109.822 168.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.94 4.54 67.02 Favored Glycine 0 C--N 1.352 1.47 0 N-CA-C 114.46 0.544 . . . . 62.340000000000003 114.46 175.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.43 ' CE2' ' SD ' ' A' ' 121' ' ' MET . 1.2 m-85 -85.64 166.81 15.89 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.478 0.711 . . . . 73.120000000000005 110.47 -178.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.6 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 70.7 mt-30 -89.23 143.6 26.72 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.986 0.914 . . . . 74.120000000000005 109.9 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.616 HG11 ' HG2' ' A' ' 19' ' ' LYS . 20.1 t -121.26 121.78 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 C-N-CA 123.043 0.537 . . . . 75.400000000000006 110.408 -178.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.6 ' NH1' ' HB3' ' A' ' 28' ' ' GLN . 10.0 mpt_? -122.73 108.57 13.2 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 109.003 -0.739 . . . . 64.129999999999995 109.003 168.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -93.1 122.68 35.71 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.584 -0.895 . . . . 74.019999999999996 108.584 173.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.534 HG11 ' HB3' ' A' ' 38' ' ' LEU . 96.6 t -99.09 118.76 46.15 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 C-N-CA 123.459 0.704 . . . . 71.129999999999995 109.115 -177.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -111.65 -19.83 12.35 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.509 1.524 . . . . 72.450000000000003 109.431 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -137.25 147.82 46.02 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.658 1.183 . . . . 74.140000000000001 109.253 -174.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.8 m -64.13 -21.05 66.39 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.929 0.892 . . . . 73.200000000000003 112.969 -173.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -76.58 -31.45 57.53 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.048 0.539 . . . . 75.239999999999995 110.135 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.9 -30.37 68.84 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.47 0.708 . . . . 61.130000000000003 111.995 -177.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.534 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.0 pp -78.55 -42.23 29.86 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 117.762 0.255 . . . . 73.329999999999998 110.697 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -73.8 -31.76 63.41 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.811 0.444 . . . . 55.509999999999998 111.516 -172.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.432 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 22.2 ptmt -67.14 -35.19 79.18 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 123.35 0.406 . . . . 64.430000000000007 109.906 175.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 61.4 mm-40 -77.45 -33.24 54.81 Favored 'General case' 0 C--O 1.21 -0.998 0 CA-C-N 115.914 -0.585 . . . . 74.109999999999999 111.18 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.498 ' HG3' HD13 ' A' ' 70' ' ' LEU . 35.7 mmt -60.61 -33.43 72.74 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 118.437 0.562 . . . . 74.239999999999995 110.446 174.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.61 -50.74 63.95 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.683 0.793 . . . . 64.310000000000002 110.921 173.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 14.0 mmmm -60.55 -47.7 85.03 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.666 0.786 . . . . 64.400000000000006 111.319 -177.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.575 HD13 HD11 ' A' ' 4' ' ' LEU . 54.9 mt -74.53 -30.99 61.99 Favored 'General case' 0 C--O 1.219 -0.52 0 C-N-CA 123.58 0.752 . . . . 60.530000000000001 111.026 -173.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.19 -55.99 17.87 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.384 0.673 . . . . 73.310000000000002 110.811 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -73.17 -43.34 61.62 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.55 -1.205 . . . . 54.229999999999997 111.709 -170.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -82.42 118.48 23.24 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 108.732 -0.84 . . . . 70.420000000000002 108.732 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -105.62 -66.89 0.95 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 120.68 0.276 . . . . 72.319999999999993 111.631 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -76.96 94.06 3.9 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.325 0.65 . . . . 75.439999999999998 110.476 -174.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -172.75 -177.48 1.68 Allowed 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 125.067 1.347 . . . . 75.310000000000002 109.333 171.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.61 153.79 40.6 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 120.915 0.388 . . . . 72.340000000000003 111.877 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -81.66 149.76 28.38 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.578 -0.737 . . . . 71.430000000000007 110.564 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 54' ' ' ILE . 3.4 mp -112.23 132.35 61.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 115.013 -0.994 . . . . 64.140000000000001 109.684 -163.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.569 HD22 HG21 ' A' ' 22' ' ' VAL . 4.0 tt -91.68 115.12 27.79 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.324 -0.853 . . . . 63.149999999999999 108.879 172.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.7 mm -98.04 138.71 21.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 124.092 0.957 . . . . 74.230000000000004 108.465 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 56.3 mt -117.09 154.99 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 N-CA-C 107.179 -1.415 . . . . 61.130000000000003 107.179 165.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.3 t -156.02 145.79 21.16 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.206 -1.035 . . . . 63.450000000000003 108.206 167.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -105.24 23.75 13.19 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 124.001 0.92 . . . . 60.240000000000002 110.843 -175.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.426 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 20.9 t70 -145.12 136.84 25.47 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 123.011 0.524 . . . . 74.150000000000006 110.369 176.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' A' ' 64' ' ' LEU . 49.9 mtpt -71.08 -33.88 70.63 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.25 1.02 . . . . 74.319999999999993 111.527 -172.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -75.34 -33.31 61.1 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.709 0.404 . . . . 71.310000000000002 110.81 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.517 HD13 HG12 ' A' ' 32' ' ' VAL . 53.8 mt -65.66 -44.21 87.01 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 109.418 -0.586 . . . . 70.129999999999995 109.418 178.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.459 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 37.1 mt -58.94 -51.54 69.59 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 114.604 -1.18 . . . . 74.040000000000006 110.978 174.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -56.29 -41.92 76.68 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.585 1.154 . . . . 71.019999999999996 111.505 -174.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -61.23 -53.4 57.34 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 123.695 0.622 . . . . 53.299999999999997 111.174 172.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.492 ' SD ' ' HB2' ' A' ' 38' ' ' LEU . 76.7 mtm -62.37 -30.7 71.38 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.86 0.689 . . . . 72.430000000000007 112.86 -176.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.499 HD11 HD22 ' A' ' 80' ' ' LEU . 80.4 mt -60.55 -43.22 97.47 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.001 0.52 . . . . 73.030000000000001 110.751 177.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -81.28 -29.98 34.14 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.225 -0.898 . . . . 62.140000000000001 111.39 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.498 HD13 ' HG3' ' A' ' 42' ' ' MET . 90.7 mt -67.85 -54.67 17.11 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.042 0.537 . . . . 70.129999999999995 109.99 176.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.446 HG22 HG22 ' A' ' 78' ' ' VAL . 98.1 mt -59.94 -30.1 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 124.555 1.142 . . . . 71.400000000000006 111.399 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.9 t -66.4 -40.55 89.7 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.123 0.569 . . . . 72.430000000000007 111.237 175.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -16.1 40.58 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 119.569 -0.253 . . . . 73.409999999999997 111.365 177.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 51.4 mt -71.42 -34.99 70.81 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 108.856 -0.794 . . . . 72.349999999999994 108.856 170.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.78 67.18 0.98 Allowed Glycine 0 C--N 1.346 1.129 0 CA-C-N 115.53 -0.759 . . . . 71.519999999999996 111.751 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -141.17 151.98 44.29 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.443 1.097 . . . . 64.010000000000005 109.677 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.522 ' HB3' ' HG3' ' A' ' 3' ' ' GLU . 49.9 tptt -70.05 108.73 4.2 Favored 'General case' 0 C--N 1.352 0.678 0 N-CA-C 108.586 -0.894 . . . . 75.409999999999997 108.586 175.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 71' ' ' ILE . 39.2 t -89.15 130.25 38.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 123.685 0.794 . . . . 75.099999999999994 109.59 -172.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.427 ' HB3' ' HA ' ' A' ' 5' ' ' ILE . 21.3 t80 -128.32 145.3 51.11 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 106.913 -1.514 . . . . 75.129999999999995 106.913 177.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.499 HD22 HD11 ' A' ' 68' ' ' LEU . 56.8 tp -139.51 102.05 4.37 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 108.995 -0.743 . . . . 44.539999999999999 108.995 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.503 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 46.2 tp -92.59 111.55 23.18 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 107.358 -1.349 . . . . 65.340000000000003 107.358 171.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.448 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 3.8 pp -111.27 144.38 40.53 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.33 0.513 . . . . 73.450000000000003 110.866 -176.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.04 150.39 25.67 Favored 'General case' 0 C--O 1.244 0.763 0 C-N-CA 124.051 0.94 . . . . 65.129999999999995 109.622 -176.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.406 ' H ' HD11 ' A' ' 90' ' ' LEU . 7.6 t70 -164.45 172.53 13.24 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-N 114.834 -1.076 . . . . 74.129999999999995 108.263 172.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -78.96 -15.75 57.86 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.28 0.632 . . . . 64.310000000000002 110.655 173.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -101.21 142.15 33.06 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.486 1.114 . . . . 73.420000000000002 109.701 173.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -90.38 -37.44 13.99 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.542 0.737 . . . . 75.030000000000001 111.848 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -57.11 -44.57 83.37 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.394 0.678 . . . . 73.329999999999998 111.891 -170.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -63.46 -37.4 87.15 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 115.327 -0.851 . . . . 72.129999999999995 111.59 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.406 HD11 ' H ' ' A' ' 84' ' ' ASP . 70.1 mt -72.06 -53.76 11.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.759 0.824 . . . . 75.120000000000005 111.999 -173.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.8 -42.45 99.02 Favored 'General case' 0 C--O 1.247 0.948 0 C-N-CA 123.577 0.751 . . . . 74.129999999999995 111.792 -174.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 1.7 pp20? -74.99 -32.11 61.58 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 123.823 0.702 . . . . 74.150000000000006 110.599 -177.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.541 ' O ' HG12 ' A' ' 97' ' ' ILE . 6.0 t80 -69.19 -49.28 58.05 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.401 -0.592 . . . . 72.040000000000006 109.401 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.425 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 20.8 ttpt -55.88 -51.92 65.87 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.157 0.983 . . . . 73.109999999999999 111.92 -176.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -59.74 -28.5 67.41 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 123.806 0.691 . . . . 63.5 112.435 -175.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 30.7 mmtp -69.86 -51.32 34.38 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.451 -0.574 . . . . 63.100000000000001 109.451 175.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 93' ' ' PHE . 34.7 mm -68.09 -28.87 42.62 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.421 0 CA-C-N 114.564 -1.198 . . . . 65.129999999999995 111.487 -171.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -61.44 -46.75 88.78 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 123.584 0.754 . . . . 72.120000000000005 110.636 169.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.0 t -72.44 -17.95 61.74 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.292 -0.867 . . . . 71.310000000000002 111.185 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -90.3 1.61 56.36 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.335 1.054 . . . . 70.430000000000007 111.512 175.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 73.91 31.4 60.1 Favored Glycine 0 C--N 1.35 1.355 0 N-CA-C 114.156 0.422 . . . . 65.0 114.156 171.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.525 ' HB2' HG22 ' A' ' 97' ' ' ILE . 38.7 m-85 -110.89 139.58 46.1 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 108.725 -0.842 . . . . 75.219999999999999 108.725 174.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -73.36 88.59 1.57 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.077 0.551 . . . . 71.549999999999997 109.915 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.0 p -109.19 136.22 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.614 0.766 . . . . 62.43 110.721 -173.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -123.55 146.1 48.38 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.695 1.198 . . . . 70.200000000000003 108.928 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.425 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 28.5 ttpp -114.56 129.8 56.7 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.391 0.676 . . . . 64.109999999999999 110.532 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.9 m -135.34 133.52 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 108.615 -0.883 . . . . 74.319999999999993 108.615 173.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.3 m -97.41 -0.37 46.39 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 121.528 0.68 . . . . 62.520000000000003 110.063 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -125.3 150.52 47.04 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.494 0.717 . . . . 64.140000000000001 111.017 -171.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -57.86 -55.28 36.95 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.418 1.487 . . . . 50.25 111.393 173.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.48 -38.76 92.15 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.786 0.834 . . . . 71.25 111.781 -174.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -65.28 -31.24 72.29 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.465 0.706 . . . . 43.299999999999997 110.908 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.72 70.33 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.342 0.657 . . . . 41.119999999999997 110.626 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.427 HD22 ' HG3' ' A' ' 21' ' ' GLU . 89.5 mt -61.64 -33.34 73.78 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.457 0.703 . . . . 55.420000000000002 110.821 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -62.58 -57.51 10.85 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 123.698 0.624 . . . . 73.120000000000005 111.116 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 56.0 mt -64.98 -28.64 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 123.047 0.539 . . . . 62.009999999999998 111.81 -174.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 50.1 t -58.76 -48.78 85.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 C-N-CA 123.436 0.695 . . . . 63.140000000000001 110.977 171.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -76.41 -44.73 34.74 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.706 0.802 . . . . 73.310000000000002 111.377 -175.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.58 -26.21 68.31 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.816 0.847 . . . . 73.120000000000005 112.06 175.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -57.9 -42.02 83.84 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.914 0.486 . . . . 74.219999999999999 110.356 173.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.43 ' SD ' ' CE2' ' A' ' 27' ' ' TYR . 11.9 mmt -59.62 -23.33 62.91 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 124.033 0.833 . . . . 73.010000000000005 112.571 -172.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -100.43 -36.11 9.33 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.358 0.663 . . . . 72.25 111.116 173.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -76.44 -25.9 54.89 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 125.153 1.381 . . . . 73.230000000000004 112.808 -170.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.41 -54.74 41.99 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 124.521 1.128 . . . . 75.219999999999999 111.671 -169.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -84.13 70.35 3.17 Favored Glycine 0 C--N 1.35 1.356 0 N-CA-C 110.989 -0.845 . . . . 72.010000000000005 110.989 174.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.1 p -76.9 172.06 13.76 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.344 1.057 . . . . 73.430000000000007 110.945 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.0 mt -81.28 79.04 8.0 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 112.489 0.552 . . . . 74.319999999999993 112.489 -169.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 43.14 -86.5 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 126.974 2.11 . . . . 73.310000000000002 114.42 174.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -84.25 114.32 21.74 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.416 0.686 . . . . 75.109999999999999 110.207 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -157.0 79.44 0.91 Allowed 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.827 0.822 . . . . 73.299999999999997 109.209 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -144.13 152.25 40.68 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.95 0.9 . . . . 63.549999999999997 110.313 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -93.19 33.07 1.23 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 124.416 1.087 . . . . 75.319999999999993 109.379 174.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -134.91 123.96 24.23 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.232 1.413 . . . . 72.430000000000007 109.053 -170.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 C--O 1.253 1.238 0 O-C-N 123.85 0.719 . . . . 74.409999999999997 109.353 174.416 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 109.421 -0.585 . . . . 64.310000000000002 109.421 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -92.27 133.84 35.45 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.778 0.799 . . . . 70.129999999999995 110.725 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.54 ' HG3' ' HD2' ' A' ' 77' ' ' LYS . 2.0 mp0 -113.46 133.27 55.3 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-N 113.382 -1.735 . . . . 73.120000000000005 108.756 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.84 111.73 20.11 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 107.632 -1.248 . . . . 73.439999999999998 107.632 173.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.467 HG23 ' HG ' ' A' ' 55' ' ' LEU . 3.8 tt -108.04 128.57 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 123.901 0.88 . . . . 75.040000000000006 108.798 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -112.57 120.21 40.8 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 107.913 -1.143 . . . . 62.539999999999999 107.913 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.524 HG21 HD13 ' A' ' 18' ' ' ILE . 3.1 mp -99.37 141.48 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 N-CA-C 108.057 -1.09 . . . . 65.310000000000002 108.057 176.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.589 ' HB2' HD11 ' A' ' 64' ' ' LEU . 27.2 t-20 -121.47 112.6 18.72 Favored 'General case' 0 C--N 1.345 0.413 0 C-N-CA 122.948 0.499 . . . . 73.150000000000006 110.063 173.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.406 HG23 HG12 ' A' ' 15' ' ' ILE . 6.5 t -146.53 124.05 11.73 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 108.128 -1.064 . . . . 44.409999999999997 108.128 165.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -79.85 -18.04 51.76 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 122.704 0.402 . . . . 73.239999999999995 110.06 174.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -67.47 102.44 1.13 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.166 -1.05 . . . . 70.209999999999994 108.166 175.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -58.68 -35.24 72.29 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.755 1.222 . . . . 52.329999999999998 112.265 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -72.7 -37.14 67.93 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.277 -0.874 . . . . 61.149999999999999 110.586 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 110' ' ' ASP . 41.3 tp -71.53 -31.23 66.81 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.896 0.478 . . . . 72.099999999999994 110.965 177.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.499 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 65.2 mt -52.24 -45.16 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 N-CA-C 109.424 -0.584 . . . . 62.549999999999997 109.424 173.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -60.6 -41.9 95.7 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.582 1.153 . . . . 74.140000000000001 111.866 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HE2' HD11 ' A' ' 114' ' ' LEU . 57.2 mtpt -66.18 -40.38 90.42 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.666 0.786 . . . . 75.239999999999995 110.887 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 22' ' ' VAL . 60.6 mt -65.92 -40.49 87.61 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 CA-C-N 115.482 -0.781 . . . . 71.030000000000001 108.975 176.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 83.5 mttt -56.31 -51.61 67.57 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.615 0.766 . . . . 70.219999999999999 111.435 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -32.02 73.11 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.329 0.393 . . . . 74.409999999999997 111.345 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.535 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 61.6 mm-40 -62.15 -40.64 96.64 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.589 0.355 . . . . 71.540000000000006 111.355 172.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 18' ' ' ILE . 57.9 t -67.08 -31.36 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.888 0.875 . . . . 40.140000000000001 110.917 177.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.47 -29.73 61.57 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.566 0.746 . . . . 74.150000000000006 110.643 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -67.1 -30.74 70.84 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.048 0.539 . . . . 71.299999999999997 110.048 172.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 62.9 mm-40 -84.85 -27.58 26.63 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.435 0.694 . . . . 72.0 110.063 177.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.79 33.49 15.62 Favored Glycine 0 C--N 1.356 1.677 0 C-N-CA 123.692 0.663 . . . . 70.519999999999996 114.063 176.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.441 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 2.3 m-85 -99.5 165.68 11.52 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.815 0.846 . . . . 74.420000000000002 110.189 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.51 HE21 HG13 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -77.03 112.99 14.26 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 107.718 -1.215 . . . . 64.519999999999996 107.718 178.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.76 101.17 6.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 O-C-N 123.777 0.673 . . . . 72.040000000000006 109.42 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -116.81 109.17 16.76 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.217 0.607 . . . . 73.319999999999993 109.395 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -101.74 116.42 32.7 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 108.556 -0.905 . . . . 74.349999999999994 108.556 173.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.606 HG12 HD13 ' A' ' 63' ' ' LEU . 84.2 t -90.0 119.78 37.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 C-N-CA 123.962 0.905 . . . . 74.319999999999993 108.798 175.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -116.67 -7.62 11.53 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.24 1.016 . . . . 65.400000000000006 109.373 175.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -131.13 143.4 50.61 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.44 1.096 . . . . 51.439999999999998 109.856 -172.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.7 m -70.58 -24.4 62.76 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.797 0.839 . . . . 74.040000000000006 112.937 -173.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.514 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 17.4 t70 -80.99 -31.02 34.87 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.805 -0.443 . . . . 73.540000000000006 109.805 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -54.18 -50.08 67.84 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.846 0.459 . . . . 70.109999999999999 111.924 175.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.574 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.2 pp -62.5 -40.91 98.25 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.541 0.526 . . . . 73.019999999999996 111.541 -173.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.514 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 17.6 ptpt -66.61 -34.51 78.05 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 110.483 -0.192 . . . . 61.509999999999998 110.483 -175.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -61.4 -49.1 78.26 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.161 0.984 . . . . 75.319999999999993 111.183 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 5.7 pt-20 -82.81 -26.68 31.52 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.387 -0.824 . . . . 74.450000000000003 112.119 -173.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 37.3 mmt -62.73 -39.2 93.33 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.262 0.553 . . . . 71.120000000000005 109.956 171.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.54 -43.64 69.15 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.119 -0.946 . . . . 70.400000000000006 110.44 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 41' ' ' GLU . 41.1 mmtm -54.04 -34.07 59.01 Favored 'General case' 0 N--CA 1.501 2.085 0 C-N-CA 124.163 0.985 . . . . 53.43 112.225 177.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 96.2 mt -57.33 -48.7 78.3 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.751 0.821 . . . . 74.299999999999997 111.082 174.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.02 -17.24 33.42 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.166 0.986 . . . . 74.219999999999999 112.223 -176.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -74.67 -52.83 10.58 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.99 0.516 . . . . 74.519999999999996 109.833 177.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -81.57 138.15 35.43 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 109.188 -0.671 . . . . 74.109999999999999 109.188 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -77.67 -50.79 11.74 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.754 0.822 . . . . 62.030000000000001 111.296 -173.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -141.27 121.21 13.61 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.897 0.479 . . . . 74.019999999999996 110.647 -173.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.419 ' CE2' HD11 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -169.22 163.56 10.92 Favored 'General case' 0 C--O 1.25 1.123 0 C-N-CA 124.907 1.283 . . . . 74.230000000000004 108.493 175.353 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.4 160.74 26.76 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.726 0.81 . . . . 63.119999999999997 111.76 -175.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.435 ' HE3' ' OH ' ' A' ' 27' ' ' TYR . 42.2 pttt -71.82 148.79 45.89 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 114.727 -1.124 . . . . 74.450000000000003 111.954 -177.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.51 HG13 HE21 ' A' ' 28' ' ' GLN . 2.7 mp -112.08 146.91 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.713 1.205 . . . . 55.329999999999998 108.49 -172.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.526 HD22 HG21 ' A' ' 22' ' ' VAL . 9.4 tt -109.18 122.25 46.9 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 108.964 -0.754 . . . . 73.299999999999997 108.964 175.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.7 mm -104.94 130.25 56.3 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 124.475 1.11 . . . . 60.229999999999997 109.453 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.407 HG21 HG23 ' A' ' 15' ' ' ILE . 51.7 mt -111.33 153.12 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 106.909 -1.515 . . . . 72.200000000000003 106.909 167.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.8 t -150.43 144.81 25.66 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 109.327 -0.62 . . . . 64.409999999999997 109.327 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -96.94 1.74 50.75 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.377 1.071 . . . . 71.109999999999999 110.851 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -136.01 141.69 44.38 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.859 0.864 . . . . 71.329999999999998 110.943 -177.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.74 -21.73 25.0 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.099 0.96 . . . . 63.549999999999997 113.215 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -67.91 -35.57 78.69 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 109.796 -0.446 . . . . 61.100000000000001 109.796 176.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.606 HD13 HG12 ' A' ' 32' ' ' VAL . 57.4 mt -64.41 -44.61 90.7 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 123.628 0.771 . . . . 72.209999999999994 110.134 177.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.589 HD11 ' HB2' ' A' ' 8' ' ' ASN . 78.9 mt -57.26 -50.29 73.35 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 114.693 -1.14 . . . . 70.430000000000007 110.241 177.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -62.64 -40.91 98.51 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 124.459 1.1 . . . . 71.329999999999998 110.953 -166.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -60.62 -53.88 52.05 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.432 -0.804 . . . . 73.010000000000005 111.267 170.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.429 ' SD ' ' HB2' ' A' ' 38' ' ' LEU . 75.9 mtm -63.9 -30.87 71.91 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.001 0.741 . . . . 72.409999999999997 113.001 -173.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 88.9 mt -58.58 -35.67 72.77 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.359 0.663 . . . . 71.310000000000002 111.124 176.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -83.04 -36.44 24.96 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.121 0.968 . . . . 71.540000000000006 111.136 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.2 -52.88 52.06 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.827 0.851 . . . . 72.319999999999993 111.325 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 71.8 mt -64.35 -30.54 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 124.153 0.981 . . . . 75.409999999999997 110.685 178.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.2 t -68.75 -42.74 77.12 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.513 0.725 . . . . 63.240000000000002 110.955 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -22.33 53.06 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.092 0.157 . . . . 64.430000000000007 111.169 178.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.0 mt -71.33 -29.78 65.42 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.408 0.683 . . . . 74.109999999999999 109.606 170.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.05 10.38 56.24 Favored Glycine 0 C--N 1.345 1.081 0 CA-C-N 115.234 -0.894 . . . . 63.530000000000001 113.122 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 45' ' ' LEU . 35.0 m-85 -83.54 166.14 18.5 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 117.404 0.602 . . . . 71.420000000000002 111.27 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.568 ' HE2' ' HA ' ' A' ' 128' ' ' GLU . 30.2 ttmt -78.39 113.88 16.78 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.686 -1.143 . . . . 73.140000000000001 109.857 -177.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -90.82 119.89 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 123.806 0.842 . . . . 65.310000000000002 109.99 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -117.88 137.99 52.43 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 106.582 -1.636 . . . . 73.450000000000003 106.582 170.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.443 HD23 HG13 ' A' ' 97' ' ' ILE . 59.3 tp -132.21 102.91 5.97 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 109.389 -0.597 . . . . 63.240000000000002 109.389 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.1 tp -86.44 129.74 34.75 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 107.602 -1.258 . . . . 65.310000000000002 107.602 166.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.41 HD22 ' CD2' ' A' ' 93' ' ' PHE . 4.1 pp -133.99 142.25 47.58 Favored 'General case' 0 C--O 1.245 0.827 0 N-CA-C 108.935 -0.765 . . . . 74.150000000000006 108.935 176.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.86 142.81 30.23 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 108.775 -0.824 . . . . 62.549999999999997 108.775 178.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.563 ' N ' HD21 ' A' ' 90' ' ' LEU . 13.2 m-20 -150.07 166.35 30.02 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.042 1.337 . . . . 73.319999999999993 108.246 177.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -81.17 -30.79 34.29 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 115.461 -0.791 . . . . 51.0 109.538 168.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -82.5 106.14 14.13 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.416 0.686 . . . . 70.540000000000006 109.315 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.5 ' HA ' HD12 ' A' ' 90' ' ' LEU . 10.0 tp10 -65.72 -34.05 77.29 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.648 0.779 . . . . 73.530000000000001 110.951 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -64.76 -34.22 77.81 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.011 0.524 . . . . 64.540000000000006 110.991 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -68.77 -41.05 79.34 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.718 0.407 . . . . 72.239999999999995 111.005 174.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.563 HD21 ' N ' ' A' ' 84' ' ' ASP . 82.3 mt -61.11 -55.31 33.92 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.171 0.988 . . . . 73.230000000000004 112.506 -177.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -61.8 -45.2 94.89 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.018 0.824 . . . . 52.439999999999998 111.338 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 35.5 mm-40 -68.13 -46.53 70.63 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.073 0.549 . . . . 73.150000000000006 111.856 -177.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.41 ' CD2' HD22 ' A' ' 82' ' ' LEU . 14.4 t80 -66.3 -38.06 86.87 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.608 0.363 . . . . 73.099999999999994 111.175 -179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.497 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 29.1 ttpp -67.09 -48.07 69.3 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.8 0.44 . . . . 74.239999999999995 111.613 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -65.79 -19.14 65.78 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.477 0.547 . . . . 65.109999999999999 112.477 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 10.6 mmpt? -61.89 -51.18 69.21 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 108.976 -0.75 . . . . 73.099999999999994 108.976 168.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.451 HG22 ' HB2' ' A' ' 102' ' ' TYR . 17.6 mm -70.51 -34.65 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-N 114.078 -1.419 . . . . 64.430000000000007 110.954 -175.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -65.99 -38.41 88.43 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.696 0.799 . . . . 75.319999999999993 111.209 172.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.4 t -70.35 -29.52 66.23 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 122.987 0.515 . . . . 71.030000000000001 110.527 176.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -77.2 -22.51 52.24 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.733 0.813 . . . . 74.209999999999994 110.455 173.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.54 47.41 6.38 Favored Glycine 0 C--N 1.35 1.324 0 CA-C-N 115.994 -0.548 . . . . 74.129999999999995 113.0 175.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.451 ' HB2' HG22 ' A' ' 97' ' ' ILE . 79.1 m-85 -112.83 151.01 30.9 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 109.529 -0.545 . . . . 70.310000000000002 109.529 173.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -65.61 94.17 0.19 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.309 1.044 . . . . 72.239999999999995 109.784 175.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.9 p -114.35 150.73 16.27 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 C-N-CA 123.588 0.755 . . . . 74.040000000000006 110.134 -177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.522 ' HB3' HD13 ' A' ' 116' ' ' ILE . 26.9 mmm180 -139.22 150.25 45.31 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.41 1.484 . . . . 73.349999999999994 108.602 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.497 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 1.4 tmmt? -141.56 143.35 33.69 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.527 0.731 . . . . 71.209999999999994 111.277 -175.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.455 HG13 HD11 ' A' ' 116' ' ' ILE . 2.5 m -149.79 158.52 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.957 1.303 . . . . 55.520000000000003 109.819 173.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.8 m -105.21 -33.64 8.17 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.96 -1.018 . . . . 64.219999999999999 109.818 174.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -85.0 143.2 29.08 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.459 0.703 . . . . 64.430000000000007 111.323 -177.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.543 ' HB2' HD13 ' A' ' 14' ' ' LEU . 5.0 p-10 -63.75 -45.36 90.16 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.042 1.337 . . . . 61.439999999999998 111.983 178.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.74 -34.8 79.18 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.616 1.167 . . . . 64.540000000000006 111.544 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -78.21 -23.97 47.25 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.41 -0.814 . . . . 61.439999999999998 110.813 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.407 ' HA ' HG21 ' A' ' 107' ' ' VAL . . . -67.34 -38.85 85.53 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.084 0.554 . . . . 75.030000000000001 110.817 172.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.483 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 38.8 mt -65.94 -29.82 70.29 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.336 -0.847 . . . . 73.109999999999999 110.579 175.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -68.51 -45.13 73.1 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 124.04 0.936 . . . . 71.099999999999994 111.308 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.522 HD13 ' HB3' ' A' ' 105' ' ' ARG . 19.7 mt -69.41 -26.4 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 122.916 0.486 . . . . 74.209999999999994 111.916 -175.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.25 -38.7 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 CA-C-O 121.188 0.518 . . . . 71.340000000000003 109.798 170.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -75.25 -42.4 55.24 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.22 1.008 . . . . 74.230000000000004 110.932 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.6 -33.42 73.87 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.572 0.749 . . . . 71.319999999999993 112.242 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -54.1 -45.35 71.8 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.893 0.877 . . . . 75.120000000000005 111.154 173.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.441 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 17.6 mmt -61.13 -42.19 98.09 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 114.934 -1.03 . . . . 74.049999999999997 111.187 -174.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -80.26 -34.7 36.83 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.094 0.558 . . . . 74.019999999999996 111.863 -177.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -83.64 -64.78 1.1 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.917 0.487 . . . . 74.239999999999995 111.28 -174.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.24 -22.92 61.17 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.327 0.651 . . . . 72.319999999999993 111.473 -174.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.05 -45.06 63.87 Favored Glycine 0 C--N 1.349 1.282 0 N-CA-C 111.968 -0.453 . . . . 44.340000000000003 111.968 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.0 m -80.0 -25.69 40.18 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.28 0.632 . . . . 53.350000000000001 111.932 -177.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 130' ' ' HIS . 18.4 tp -118.58 111.19 18.26 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.708 0.403 . . . . 72.109999999999999 111.733 -168.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.568 ' HA ' ' HE2' ' A' ' 77' ' ' LYS . 8.9 pt-20 -87.36 -47.52 8.73 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.136 0.574 . . . . 70.219999999999999 110.687 169.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -97.17 107.2 19.67 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 109.126 -0.694 . . . . 64.310000000000002 109.126 -176.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.525 ' HA ' HD21 ' A' ' 127' ' ' LEU . 67.1 m-70 -73.49 166.36 23.37 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.122 0.569 . . . . 71.200000000000003 110.692 -175.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -84.08 37.87 0.63 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.262 0.625 . . . . 73.530000000000001 111.977 -175.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -76.87 76.54 3.46 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 121.748 0.785 . . . . 73.239999999999995 110.19 -175.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 174.78 149.56 0.09 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.645 1.978 . . . . 75.409999999999997 107.318 -176.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 . . . . . 0 CA--C 1.547 0.859 0 N-CA-C 108.667 -0.864 . . . . 54.210000000000001 108.667 -178.269 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mmm . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 110.083 -0.34 . . . . 71.310000000000002 110.083 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -95.86 158.7 15.33 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.542 0.687 . . . . 64.230000000000004 110.971 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -115.89 161.04 19.37 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-N 114.713 -1.13 . . . . 52.020000000000003 108.642 170.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.67 113.16 8.43 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 107.124 -1.435 . . . . 60.100000000000001 107.124 176.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.1 tt -107.71 130.07 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.389 0.675 . . . . 70.150000000000006 109.854 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mp -106.22 128.41 53.93 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 108.094 -1.076 . . . . 72.310000000000002 108.094 176.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 mp -104.17 142.83 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 106.811 -1.552 . . . . 70.109999999999999 106.811 165.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.471 ' CB ' HD11 ' A' ' 64' ' ' LEU . 27.2 t-20 -134.13 123.37 24.31 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.16 -1.052 . . . . 75.030000000000001 108.16 163.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.464 ' HA ' ' O ' ' A' ' 83' ' ' GLN . 7.9 t -145.77 129.0 16.72 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.32 -0.992 . . . . 63.130000000000003 108.32 167.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -89.49 11.54 19.1 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.824 -0.626 . . . . 62.439999999999998 110.113 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -92.92 104.57 16.79 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 107.86 -1.163 . . . . 73.420000000000002 107.86 171.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.79 -46.06 85.16 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.277 1.031 . . . . 74.239999999999995 111.889 -168.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 11.2 pt-20 -61.15 -39.25 89.37 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.868 -0.605 . . . . 54.229999999999997 111.4 -178.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.415 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.3 tp -69.49 -39.35 77.68 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.057 0.543 . . . . 62.210000000000001 110.677 -178.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.689 HG23 HG21 ' A' ' 57' ' ' ILE . 66.1 mt -51.2 -49.03 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 CA-C-O 121.236 0.541 . . . . 71.120000000000005 110.478 176.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 94.5 mttt -60.93 -39.99 91.51 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.308 -1.315 . . . . 75.219999999999999 111.152 -177.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 58.9 mtpt -68.53 -43.68 76.2 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.939 0.775 . . . . 65.120000000000005 111.054 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 22' ' ' VAL . 67.9 mt -61.14 -43.15 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 123.94 0.775 . . . . 73.030000000000001 109.987 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -49.59 -53.88 21.39 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 123.743 0.652 . . . . 74.549999999999997 110.44 174.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 71.4 mmtt -66.83 -34.56 78.07 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.304 0.642 . . . . 71.019999999999996 112.168 -173.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 17.0 mm-40 -59.73 -48.22 82.56 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.049 0.54 . . . . 62.350000000000001 110.028 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 18' ' ' ILE . 58.4 t -76.25 -32.96 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 C-N-CA 124.829 1.252 . . . . 74.450000000000003 111.83 -172.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -76.74 -21.33 55.41 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.465 0.706 . . . . 63.32 110.695 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -70.8 -30.04 66.39 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.165 0.586 . . . . 74.140000000000001 110.203 169.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.679 ' HG3' ' SD ' ' A' ' 121' ' ' MET . 45.1 mm-40 -83.7 -23.64 31.6 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.981 0.513 . . . . 75.129999999999995 110.589 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.97 7.3 57.56 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-N 116.017 -0.538 . . . . 73.409999999999997 113.436 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -76.32 163.25 27.19 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.219 0.608 . . . . 73.420000000000002 110.851 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.558 HE21 HG13 ' A' ' 54' ' ' ILE . 1.5 mp0 -86.37 111.59 20.64 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.852 -0.796 . . . . 61.530000000000001 108.852 -176.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.8 t -98.18 124.64 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 109.518 -0.549 . . . . 62.439999999999998 109.518 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.86 117.34 23.15 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 108.907 -0.775 . . . . 75.530000000000001 108.907 168.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.478 ' HA ' ' O ' ' A' ' 57' ' ' ILE . 7.3 p-10 -90.47 113.35 25.28 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 108.878 -0.786 . . . . 74.519999999999996 108.878 171.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.5 HG11 ' HB2' ' A' ' 38' ' ' LEU . 82.7 t -97.56 121.23 47.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 124.019 0.927 . . . . 73.329999999999998 109.072 177.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -110.69 -27.7 8.78 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.634 1.173 . . . . 55.439999999999998 108.74 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -135.78 154.12 51.32 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.739 1.215 . . . . 72.239999999999995 109.108 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.5 m -63.15 -22.05 66.6 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.35 1.06 . . . . 74.140000000000001 113.292 -172.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -82.72 -21.02 34.94 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.928 0.491 . . . . 73.310000000000002 111.621 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -75.73 -33.88 60.29 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.001 0.52 . . . . 73.340000000000003 109.766 171.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.5 ' HB2' HG11 ' A' ' 32' ' ' VAL . 8.4 tp -64.88 -62.0 1.83 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.519 1.128 . . . . 72.319999999999993 110.546 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -58.8 -27.11 64.73 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.512 0.725 . . . . 51.109999999999999 111.961 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -64.36 -54.9 25.67 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 125.331 1.452 . . . . 75.209999999999994 111.144 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -78.49 -27.41 46.21 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.58 -0.737 . . . . 71.409999999999997 111.349 -172.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.9 mmt -56.57 -41.86 77.63 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.067 0.947 . . . . 72.5 110.668 173.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -62.7 -44.19 96.88 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 115.594 -0.73 . . . . 74.420000000000002 110.752 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -64.62 -31.99 73.46 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.687 0.617 . . . . 63.539999999999999 111.162 -177.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.95 -42.24 90.25 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.109 0.564 . . . . 73.209999999999994 110.918 174.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.73 -41.03 75.84 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 123.869 0.731 . . . . 71.010000000000005 111.153 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.75 -55.22 9.11 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.319 0.648 . . . . 71.109999999999999 110.966 -176.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -78.62 115.11 18.1 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.349 -0.982 . . . . 63.219999999999999 108.349 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -80.74 -65.23 1.04 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.572 0.582 . . . . 60.140000000000001 112.572 -171.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -110.73 96.74 6.36 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 121.903 0.859 . . . . 74.219999999999999 111.818 -168.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -152.81 169.37 22.96 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.781 1.632 . . . . 74.129999999999995 106.988 167.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.49 -172.67 2.62 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 112.995 0.739 . . . . 75.400000000000006 112.995 -170.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -71.29 151.53 44.13 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.833 0.853 . . . . 71.239999999999995 110.738 -165.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.558 HG13 HE21 ' A' ' 28' ' ' GLN . 4.1 mp -118.73 141.71 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.53 0.732 . . . . 62.420000000000002 109.097 -174.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.414 HD22 HG21 ' A' ' 22' ' ' VAL . 5.5 tt -121.75 112.01 17.85 Favored 'General case' 0 C--O 1.245 0.868 0 C-N-CA 124.357 1.063 . . . . 65.5 109.657 -176.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 32.2 mm -104.8 110.71 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 115.446 -0.797 . . . . 74.230000000000004 109.93 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.689 HG21 HG23 ' A' ' 15' ' ' ILE . 54.0 mt -86.96 121.74 38.1 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 N-CA-C 107.399 -1.334 . . . . 62.229999999999997 107.399 171.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.5 t -114.13 138.93 49.78 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.734 -1.209 . . . . 75.219999999999999 107.734 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.484 ' N ' HD22 ' A' ' 59' ' ' ASN . 0.7 OUTLIER -89.28 -5.35 57.65 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.127 0.571 . . . . 61.520000000000003 110.463 -176.617 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -136.7 140.98 43.07 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.844 0.858 . . . . 73.129999999999995 110.014 -175.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -85.54 -17.78 35.33 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.215 0.606 . . . . 75.150000000000006 112.56 -173.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -76.27 -32.7 58.98 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.36 -0.607 . . . . 71.420000000000002 109.36 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.414 HD13 HG12 ' A' ' 32' ' ' VAL . 87.8 mt -66.9 -32.86 74.4 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.569 0.748 . . . . 64.430000000000007 110.559 175.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.471 HD11 ' CB ' ' A' ' 8' ' ' ASN . 95.6 mt -58.13 -54.08 50.97 Favored 'General case' 0 C--N 1.359 1.012 0 O-C-N 123.766 0.666 . . . . 75.120000000000005 110.441 176.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HE3' ' OE1' ' A' ' 100' ' ' GLN . 21.2 tptm -53.5 -48.69 68.73 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 124.284 0.99 . . . . 72.200000000000003 111.19 -173.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -59.35 -46.94 87.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.185 0.994 . . . . 63.43 110.885 177.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 30.2 ttm -63.95 -44.64 92.22 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.964 0.906 . . . . 65.510000000000005 111.194 -176.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.427 HD11 HD22 ' A' ' 80' ' ' LEU . 70.6 mt -53.97 -44.46 70.79 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 125.088 1.355 . . . . 53.420000000000002 111.075 177.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -67.55 -44.17 78.93 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.159 -0.928 . . . . 72.230000000000004 110.822 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.64 -45.99 92.0 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.369 0.668 . . . . 61.210000000000001 111.045 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.488 HG22 HG22 ' A' ' 78' ' ' VAL . 96.9 mt -62.7 -30.75 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.435 1.094 . . . . 64.329999999999998 111.733 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -62.41 -47.17 85.29 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.532 0.733 . . . . 72.310000000000002 111.051 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -6.51 58.53 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 112.172 0.434 . . . . 74.0 112.172 177.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.2 mt -74.63 -34.41 62.78 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 108.948 -0.76 . . . . 73.319999999999993 108.948 167.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.43 10.49 31.26 Favored Glycine 0 C--N 1.351 1.38 0 CA-C-O 119.61 -0.55 . . . . 73.109999999999999 114.313 171.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -83.89 160.37 21.14 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 117.498 0.649 . . . . 72.030000000000001 109.793 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -67.32 119.19 11.77 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.212 -1.033 . . . . 74.349999999999994 108.212 170.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.488 HG22 HG22 ' A' ' 71' ' ' ILE . 20.3 t -88.33 106.44 16.57 Favored 'Isoleucine or valine' 0 C--O 1.245 0.832 0 N-CA-C 108.234 -1.024 . . . . 74.420000000000002 108.234 -175.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -118.55 139.72 51.02 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.155 -1.054 . . . . 75.340000000000003 108.155 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.427 HD22 HD11 ' A' ' 68' ' ' LEU . 52.7 tp -135.98 144.77 45.55 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.411 1.085 . . . . 51.130000000000003 108.189 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.3 tp -141.93 113.53 7.8 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 106.725 -1.583 . . . . 64.219999999999999 106.725 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.431 ' HB2' HD22 ' A' ' 90' ' ' LEU . 1.1 pp -117.67 135.8 53.76 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.542 0.687 . . . . 74.219999999999999 111.306 -174.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 9' ' ' THR . 42.4 tp60 -137.8 139.83 40.22 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.795 1.638 . . . . 72.120000000000005 108.034 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.445 ' N ' HD11 ' A' ' 90' ' ' LEU . 6.8 t70 -164.14 165.35 22.26 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 107.709 -1.219 . . . . 72.219999999999999 107.709 178.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -77.18 -25.73 52.17 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.045 0.45 . . . . 73.310000000000002 109.794 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -97.42 98.88 10.32 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.413 1.085 . . . . 73.530000000000001 109.476 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -77.33 -22.09 52.38 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.084 0.553 . . . . 71.209999999999994 111.728 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -61.68 -42.33 98.78 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 110.053 -0.351 . . . . 74.510000000000005 110.053 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.98 -30.51 66.78 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.665 -0.698 . . . . 64.329999999999998 111.076 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.445 HD11 ' N ' ' A' ' 84' ' ' ASP . 63.5 mt -64.57 -49.38 71.4 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.656 0.382 . . . . 64.549999999999997 111.473 177.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -78.49 -31.06 47.58 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.546 0.529 . . . . 72.340000000000003 112.074 -170.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.5 -36.22 73.67 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 109.712 -0.477 . . . . 70.310000000000002 109.712 178.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.513 ' O ' HG12 ' A' ' 97' ' ' ILE . 45.2 t80 -69.97 -46.77 64.52 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.57 0.748 . . . . 74.540000000000006 109.733 173.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -55.5 -49.29 72.97 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.764 1.226 . . . . 74.299999999999997 111.743 -176.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -60.42 -33.89 73.16 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.717 0.807 . . . . 72.019999999999996 111.742 -176.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -69.51 -42.3 74.9 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.18 0.592 . . . . 62.240000000000002 110.107 177.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 93' ' ' PHE . 37.3 mm -66.1 -37.4 79.7 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.371 0 CA-C-N 115.156 -0.929 . . . . 74.310000000000002 110.369 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -65.64 -38.32 89.05 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.803 0.841 . . . . 73.409999999999997 111.192 172.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.0 t -69.28 -18.05 63.81 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.889 0.876 . . . . 50.420000000000002 111.434 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.462 ' OE1' ' HE3' ' A' ' 65' ' ' LYS . 65.3 mt-30 -97.25 -2.51 42.56 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.105 0.962 . . . . 73.140000000000001 111.417 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.45 8.93 70.17 Favored Glycine 0 C--N 1.346 1.105 0 N-CA-C 114.272 0.469 . . . . 53.310000000000002 114.272 174.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.449 ' HB2' HG22 ' A' ' 97' ' ' ILE . 23.8 m-85 -84.55 136.12 33.93 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 117.278 0.539 . . . . 73.219999999999999 109.665 176.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -76.6 102.46 6.13 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.289 0.635 . . . . 74.230000000000004 109.35 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 p -118.53 137.81 51.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.344 0.658 . . . . 72.329999999999998 110.368 177.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -113.95 145.12 41.97 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 107.95 -1.13 . . . . 65.030000000000001 107.95 174.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -116.58 135.52 53.73 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.263 -0.643 . . . . 75.319999999999993 109.263 175.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.421 HG23 ' HB2' ' A' ' 83' ' ' GLN . 17.3 m -124.32 160.62 28.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 C-N-CA 123.983 0.913 . . . . 62.229999999999997 109.022 176.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.5 m -117.13 -4.14 11.47 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.54 0.736 . . . . 74.519999999999996 110.49 -176.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -148.8 160.26 43.38 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 121.43 0.633 . . . . 72.140000000000001 112.091 -172.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -50.04 -59.04 4.28 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.43 1.892 . . . . 61.439999999999998 112.458 175.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.51 -20.56 60.63 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.698 0.399 . . . . 75.040000000000006 112.016 -171.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.35 -46.68 79.24 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 110.112 -0.329 . . . . 74.239999999999995 110.112 170.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.1 -48.13 81.56 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.322 -0.854 . . . . 72.120000000000005 110.663 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.6 -41.01 89.32 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.536 0.734 . . . . 65.409999999999997 110.851 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -62.56 -53.15 59.03 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 115.464 -0.789 . . . . 73.319999999999993 111.39 -178.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 23.7 mt -66.88 -32.6 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 123.019 0.527 . . . . 53.049999999999997 111.517 -175.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 25.4 t -55.62 -48.44 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 123.536 0.734 . . . . 74.319999999999993 111.049 172.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 -73.9 -42.58 60.47 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.815 -0.63 . . . . 74.400000000000006 110.97 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -56.5 -44.54 80.82 Favored 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 123.726 0.81 . . . . 74.219999999999999 111.363 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -45.57 -45.26 13.51 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.678 1.191 . . . . 72.420000000000002 111.731 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.679 ' SD ' ' HG3' ' A' ' 25' ' ' GLN . 51.0 mtt -66.14 -26.43 67.43 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.371 -1.286 . . . . 71.430000000000007 112.622 -170.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -99.63 -30.97 11.82 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.09 0.556 . . . . 72.409999999999997 110.658 173.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.552 ' HA ' ' HB2' ' A' ' 127' ' ' LEU . 1.3 tppp? -84.32 -54.35 4.84 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.851 0.86 . . . . 73.010000000000005 110.747 -164.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.63 -15.48 61.28 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.875 0.87 . . . . 74.019999999999996 112.426 -177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -59.24 -78.07 0.15 Allowed Glycine 0 C--N 1.357 1.701 0 O-C-N 124.047 0.842 . . . . 73.219999999999999 112.462 173.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 71.0 m -155.66 28.74 0.38 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.692 0.797 . . . . 65.219999999999999 111.042 178.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.552 ' HB2' ' HA ' ' A' ' 123' ' ' LYS . 88.6 mt -110.48 114.34 27.68 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.134 0.574 . . . . 63.43 109.978 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.28 149.28 48.66 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.548 0.739 . . . . 64.409999999999997 110.31 176.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 -116.47 95.06 4.88 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.89 0.876 . . . . 71.239999999999995 109.19 -176.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -74.13 80.3 1.76 Allowed 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 122.114 0.959 . . . . 71.230000000000004 110.402 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -82.53 94.3 7.46 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.316 -0.857 . . . . 73.530000000000001 109.081 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -109.94 81.25 1.41 Allowed 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 108.952 -0.758 . . . . 65.129999999999995 108.952 174.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -118.06 -5.89 10.95 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.865 0.866 . . . . 70.400000000000006 109.929 172.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 56.6 t60 . . . . . 0 C--O 1.251 1.132 0 C-N-CA 124.213 1.005 . . . . 70.430000000000007 108.422 178.958 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 ttp . . . . . 0 N--CA 1.487 1.377 0 N-CA-C 109.427 -0.583 . . . . 72.230000000000004 109.427 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -126.94 145.03 50.83 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 123.728 0.811 . . . . 73.319999999999993 109.341 171.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.56 ' HG2' ' HB1' ' A' ' 124' ' ' ALA . 1.7 mp0 -128.6 144.47 51.16 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 114.086 -1.415 . . . . 55.229999999999997 107.506 177.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.521 ' HB2' HG21 ' A' ' 71' ' ' ILE . 4.2 mm? -125.24 112.14 16.06 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 107.863 -1.162 . . . . 72.099999999999994 107.863 175.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 tt -97.75 124.17 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 108.425 -0.954 . . . . 75.329999999999998 108.425 175.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mp -103.18 121.75 43.31 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 107.824 -1.176 . . . . 73.310000000000002 107.824 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.564 HG21 HD13 ' A' ' 18' ' ' ILE . 2.2 mp -98.86 138.97 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 108.063 -1.088 . . . . 62.119999999999997 108.063 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.629 ' HB2' HD11 ' A' ' 64' ' ' LEU . 7.7 t-20 -123.33 112.87 18.11 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 108.397 -0.964 . . . . 75.510000000000005 108.397 176.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.7 HG23 HG12 ' A' ' 15' ' ' ILE . 1.5 t -144.46 131.51 20.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.892 0.745 . . . . 64.400000000000006 109.097 175.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -102.55 13.2 35.13 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.192 -0.913 . . . . 73.519999999999996 110.765 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.429 ' O ' HG13 ' A' ' 15' ' ' ILE . 39.8 t30 -109.42 113.73 26.78 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.324 -0.991 . . . . 75.450000000000003 108.324 174.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.31 -39.71 80.08 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.633 1.173 . . . . 63.109999999999999 111.308 -174.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.16 -36.33 77.26 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.68 -1.146 . . . . 72.400000000000006 110.913 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 18' ' ' ILE . 26.1 tp -69.55 -37.61 77.11 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 118.923 -0.56 . . . . 73.120000000000005 110.185 177.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.7 HG12 HG23 ' A' ' 9' ' ' THR . 55.2 mt -53.91 -50.39 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 123.092 0.557 . . . . 72.109999999999999 110.452 177.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -64.43 -36.05 82.9 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.136 -0.938 . . . . 73.120000000000005 111.842 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 55.2 mtpt -65.96 -42.79 89.47 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 123.469 0.481 . . . . 75.230000000000004 110.548 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.564 HD13 HG21 ' A' ' 7' ' ' ILE . 87.4 mt -60.33 -43.91 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 124.07 0.856 . . . . 64.519999999999996 109.579 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.516 ' HE3' HG22 ' A' ' 15' ' ' ILE . 98.7 mttt -51.89 -42.9 63.06 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 123.827 0.704 . . . . 61.43 111.28 175.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -66.06 -44.26 85.03 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.393 0.677 . . . . 74.549999999999997 111.455 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 16.1 mm-40 -59.73 -44.13 93.89 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.554 0.742 . . . . 75.349999999999994 110.835 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 18' ' ' ILE . 94.0 t -68.25 -33.88 63.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.869 1.268 . . . . 72.319999999999993 111.343 -175.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.23 -26.87 62.19 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.187 0.595 . . . . 71.439999999999998 110.782 174.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -79.81 -21.19 44.56 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.382 0.673 . . . . 63.109999999999999 110.044 174.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 75.6 mm-40 -87.6 -18.63 29.24 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.387 0.675 . . . . 75.120000000000005 109.887 171.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.02 37.7 15.15 Favored Glycine 0 C--N 1.351 1.394 0 C-N-CA 123.515 0.578 . . . . 33.109999999999999 113.747 174.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.573 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 5.7 m-85 -107.6 163.0 13.45 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.858 0.863 . . . . 73.219999999999999 110.803 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.587 HE21 HG13 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -77.72 110.32 12.47 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 107.536 -1.283 . . . . 71.319999999999993 107.536 176.656 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -83.58 117.09 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.124 0.569 . . . . 70.310000000000002 109.57 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.8 mmm-85 -122.29 141.44 51.52 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 107.887 -1.153 . . . . 75.340000000000003 107.887 172.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -128.78 138.51 52.13 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.381 0.672 . . . . 74.519999999999996 109.194 171.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.595 HG11 ' HB3' ' A' ' 38' ' ' LEU . 51.2 t -123.31 124.67 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.175 1.39 . . . . 55.450000000000003 108.643 -175.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -123.64 9.75 8.99 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.003 0.521 . . . . 73.150000000000006 111.274 -178.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -158.91 154.89 26.69 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.51 0.724 . . . . 51.32 109.983 -175.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.2 p -68.29 -25.08 64.97 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.033 0.933 . . . . 75.349999999999994 113.173 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -84.11 -26.83 28.63 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 110.046 -0.353 . . . . 74.439999999999998 110.046 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -65.09 -36.11 83.27 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.408 0.683 . . . . 75.030000000000001 111.95 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.595 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.4 pp -75.92 -45.62 34.26 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.195 0.309 . . . . 74.120000000000005 110.945 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 17.4 ptpt -66.74 -33.75 76.32 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 122.698 0.399 . . . . 75.219999999999999 111.215 -172.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -69.69 -38.23 76.93 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.376 0.67 . . . . 74.230000000000004 111.345 -175.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -88.42 -25.29 22.73 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.299 0.64 . . . . 64.150000000000006 111.049 -177.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.464 ' SD ' HD12 ' A' ' 45' ' ' LEU . 14.6 mmt -62.96 -28.27 69.97 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 123.761 0.824 . . . . 62.399999999999999 111.592 172.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 28.1 mtpp -58.07 -49.19 77.78 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.64 0.776 . . . . 73.510000000000005 109.998 171.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -72.11 -27.9 62.94 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.121 -0.945 . . . . 71.120000000000005 111.546 -177.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.464 HD12 ' SD ' ' A' ' 42' ' ' MET . 88.4 mt -69.94 -38.81 76.28 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 122.487 0.315 . . . . 72.099999999999994 110.259 174.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.3 -39.78 85.99 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.86 0.864 . . . . 50.210000000000001 111.599 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -74.25 -55.63 5.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.637 0.775 . . . . 74.450000000000003 111.085 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -86.65 93.47 9.23 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.483 -0.78 . . . . 74.120000000000005 111.302 -171.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -105.01 3.21 30.34 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.278 1.031 . . . . 72.299999999999997 110.775 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -90.41 -2.59 57.96 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.808 0.843 . . . . 44.350000000000001 112.524 -170.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -124.21 171.41 9.87 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 122.818 0.447 . . . . 74.409999999999997 109.915 176.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.07 169.37 15.12 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.949 0.9 . . . . 54.420000000000002 112.894 -173.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.444 ' HD3' ' H ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -51.76 146.0 8.65 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 113.253 -1.794 . . . . 75.239999999999995 113.358 179.177 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.587 HG13 HE21 ' A' ' 28' ' ' GLN . 3.7 mp -115.52 148.77 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.9 1.28 . . . . 75.340000000000003 108.291 -174.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 tt -106.17 121.36 44.02 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.144 0.578 . . . . 73.400000000000006 109.641 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.4 mm -103.35 140.27 22.01 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 C-N-CA 124.203 1.001 . . . . 73.319999999999993 109.255 176.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.45 HG21 HG23 ' A' ' 15' ' ' ILE . 61.4 mt -117.32 149.24 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 N-CA-C 107.199 -1.408 . . . . 63.240000000000002 107.199 169.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.5 t -155.75 124.78 6.13 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 123.788 0.835 . . . . 72.239999999999995 109.1 176.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -67.88 -35.98 79.46 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.004 0.921 . . . . 72.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -94.93 142.02 27.96 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.73 0.812 . . . . 64.420000000000002 111.327 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HA ' HD12 ' A' ' 64' ' ' LEU . 56.2 mttp -86.08 -27.98 24.36 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.321 1.048 . . . . 61.329999999999998 112.505 -173.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -73.8 -29.19 62.03 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.981 -0.377 . . . . 75.340000000000003 109.981 177.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.6 mt -66.76 -39.92 88.07 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.052 0.541 . . . . 73.329999999999998 109.966 173.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 8' ' ' ASN . 90.0 mt -55.38 -54.47 43.27 Favored 'General case' 0 C--N 1.362 1.13 0 O-C-N 124.271 0.982 . . . . 72.409999999999997 110.408 176.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -56.33 -43.86 79.45 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 124.648 1.218 . . . . 72.540000000000006 111.464 -172.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -59.74 -50.93 71.91 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.899 -0.592 . . . . 72.209999999999994 111.528 173.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.74 -37.76 88.57 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.521 0.563 . . . . 71.340000000000003 112.521 -177.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 65.3 mt -57.15 -36.9 71.3 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.709 0.804 . . . . 75.310000000000002 110.636 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -74.37 -41.42 61.04 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.19 -0.914 . . . . 74.420000000000002 111.52 177.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.55 -52.12 66.53 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.39 0.676 . . . . 71.120000000000005 110.816 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.521 HG21 ' HB2' ' A' ' 4' ' ' LEU . 54.9 mt -64.45 -32.86 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 124.389 1.076 . . . . 63.009999999999998 110.904 -177.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.9 t -65.94 -45.99 79.78 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.066 -0.97 . . . . 60.310000000000002 111.258 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.42 -22.1 57.66 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 119.804 -0.141 . . . . 72.409999999999997 111.053 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.3 mt -71.39 -25.76 62.5 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.991 0.516 . . . . 62.109999999999999 110.195 170.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.94 12.34 55.49 Favored Glycine 0 C--N 1.343 0.922 0 CA-C-N 116.052 -0.522 . . . . 41.119999999999997 113.262 172.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -85.74 158.94 19.9 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 109.868 -0.419 . . . . 63.32 109.868 175.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -74.27 117.03 15.61 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.899 -0.778 . . . . 74.439999999999998 108.899 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.1 t -90.45 124.55 43.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 C-N-CA 123.234 0.614 . . . . 75.329999999999998 109.406 -175.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -126.18 144.1 50.89 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 107.885 -1.154 . . . . 72.310000000000002 107.885 175.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.474 HD11 HD13 ' A' ' 64' ' ' LEU . 52.4 tp -136.1 142.71 44.32 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.651 -0.87 . . . . 73.409999999999997 108.651 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.9 tp -142.33 114.43 8.21 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 106.147 -1.797 . . . . 74.450000000000003 106.147 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.592 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 1.1 pp -127.44 145.03 50.97 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 112.15 0.426 . . . . 41.43 112.15 -169.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.56 ' HB3' HG23 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -141.68 148.96 39.94 Favored 'General case' 0 C--O 1.246 0.892 0 C-N-CA 123.884 0.874 . . . . 75.120000000000005 109.238 174.384 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -164.32 160.99 21.54 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 107.878 -1.156 . . . . 61.450000000000003 107.878 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -72.43 -31.22 65.3 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.661 0.384 . . . . 74.109999999999999 110.673 177.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -94.24 97.45 10.26 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.742 0.817 . . . . 74.230000000000004 109.12 170.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.18 -22.5 62.95 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.916 0.886 . . . . 72.409999999999997 111.236 -177.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -63.22 -27.49 69.39 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.706 0.802 . . . . 74.400000000000006 111.992 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -78.24 -33.25 49.86 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 120.845 0.355 . . . . 61.439999999999998 110.09 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.404 HD22 HD13 ' A' ' 82' ' ' LEU . 87.7 mt -67.97 -39.55 83.31 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.994 0.918 . . . . 62.340000000000003 111.907 -178.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -66.57 -39.1 88.3 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.583 0.353 . . . . 63.009999999999998 110.83 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 51.8 mm-40 -72.68 -39.65 66.91 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.5 0.72 . . . . 72.340000000000003 111.822 -176.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.486 ' O ' HG12 ' A' ' 97' ' ' ILE . 2.3 t80 -67.32 -47.04 71.7 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 109.545 -0.539 . . . . 73.209999999999994 109.545 176.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 27.2 ttpp -58.52 -50.31 74.23 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.911 0.885 . . . . 71.120000000000005 112.664 -176.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -62.58 -21.86 65.92 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 112.847 0.684 . . . . 73.140000000000001 112.847 -175.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 42.3 mmtm -68.53 -52.06 36.11 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 109.025 -0.731 . . . . 70.140000000000001 109.025 170.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 93' ' ' PHE . 29.3 mm -67.72 -35.77 73.77 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.216 0 CA-C-N 114.37 -1.286 . . . . 71.0 111.513 -170.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -55.43 -51.28 67.42 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 123.724 0.809 . . . . 74.549999999999997 111.299 170.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.0 t -64.67 -31.74 73.1 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.626 -1.17 . . . . 71.430000000000007 111.043 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -80.41 5.09 15.99 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.694 0.798 . . . . 60.409999999999997 111.763 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.53 0.29 82.23 Favored Glycine 0 C--N 1.355 1.634 0 C-N-CA 123.089 0.376 . . . . 74.430000000000007 114.016 169.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.451 ' HB2' HG22 ' A' ' 97' ' ' ILE . 6.0 m-85 -90.8 149.23 22.06 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 109.316 -0.624 . . . . 74.099999999999994 109.316 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -83.84 126.69 33.2 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.707 -0.849 . . . . 73.319999999999993 108.707 174.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.403 HG22 ' HG3' ' A' ' 94' ' ' LYS . 3.8 p -137.78 142.96 34.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 C-N-CA 123.245 0.618 . . . . 75.099999999999994 110.148 -176.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.514 ' HA ' ' HE ' ' A' ' 105' ' ' ARG . 1.6 mmp_? -130.66 126.99 38.0 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 124.07 0.948 . . . . 75.040000000000006 109.654 -174.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.535 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 25.6 ttmt -92.92 136.04 33.61 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.054 0.541 . . . . 72.319999999999993 110.147 174.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.56 HG23 ' HB3' ' A' ' 83' ' ' GLN . 34.1 m -140.22 171.86 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.303 1.041 . . . . 73.319999999999993 108.286 167.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.4 m -137.91 -38.48 0.57 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.371 0.669 . . . . 62.439999999999998 109.445 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.452 ' HB2' ' HG2' ' A' ' 112' ' ' GLU . 15.4 m-20 -83.09 156.63 23.21 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 115.631 -0.713 . . . . 52.350000000000001 111.499 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -54.45 -55.1 32.28 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 113.752 -1.567 . . . . 63.32 110.47 170.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -58.26 -40.83 82.85 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.679 -1.146 . . . . 71.299999999999997 111.862 -175.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.629 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 33.4 mm-40 -66.21 -35.78 81.33 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.758 0.823 . . . . 74.430000000000007 111.226 -177.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -65.35 -46.43 80.25 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.661 -0.7 . . . . 63.420000000000002 110.982 177.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.472 HD22 ' HG3' ' A' ' 21' ' ' GLU . 35.1 mt -67.68 -27.63 67.0 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.317 0.647 . . . . 54.009999999999998 111.334 -177.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.629 ' HD3' ' HA ' ' A' ' 112' ' ' GLU . 25.1 mtpp -65.22 -58.67 5.38 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.753 0.821 . . . . 74.209999999999994 111.002 176.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 14.8 mt -67.53 -23.34 29.72 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.223 0 N-CA-C 112.578 0.584 . . . . 75.219999999999999 112.578 -170.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 113' ' ' ALA . 70.0 t -48.46 -44.35 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 C-N-CA 123.215 0.606 . . . . 74.140000000000001 110.515 167.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -69.61 -46.33 66.52 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.409 0.684 . . . . 74.519999999999996 110.762 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 0.7 OUTLIER -58.25 -35.02 71.12 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.086 0.555 . . . . 73.049999999999997 112.035 -177.813 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.644 ' HD2' ' SD ' ' A' ' 121' ' ' MET . 59.7 t80 -54.66 -47.03 74.07 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.223 0.609 . . . . 74.209999999999994 111.308 171.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.644 ' SD ' ' HD2' ' A' ' 120' ' ' PHE . 8.8 mmt -58.22 -29.79 65.98 Favored 'General case' 0 N--CA 1.483 1.175 0 O-C-N 124.369 1.043 . . . . 74.430000000000007 112.401 -171.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -98.86 -33.33 10.92 Favored 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 123.356 0.662 . . . . 73.409999999999997 112.17 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -76.63 -53.41 8.06 Favored 'General case' 0 N--CA 1.498 1.938 0 C-N-CA 123.59 0.756 . . . . 71.310000000000002 110.089 -170.623 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.56 ' HB1' ' HG2' ' A' ' 3' ' ' GLU . . . -70.18 -7.68 43.82 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 115.652 -0.703 . . . . 33.420000000000002 112.828 -174.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -79.69 65.39 3.71 Favored Glycine 0 C--N 1.351 1.411 0 N-CA-C 110.743 -0.943 . . . . 55.409999999999997 110.743 169.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 66.1 m -144.9 100.2 3.46 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 124.151 0.981 . . . . 34.530000000000001 109.261 -176.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -78.74 90.85 4.64 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 107.959 -1.126 . . . . 74.25 107.959 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -79.5 132.51 36.35 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.093 0.557 . . . . 72.420000000000002 111.165 -175.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -102.22 28.34 5.95 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.103 0.961 . . . . 62.420000000000002 109.637 170.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -59.18 122.72 14.52 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 123.791 0.836 . . . . 70.340000000000003 109.592 174.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -66.48 140.15 58.0 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 124.312 1.008 . . . . 72.019999999999996 110.637 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -73.01 -7.73 52.54 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.991 0.916 . . . . 74.430000000000007 112.197 -173.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -116.18 117.19 29.35 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.768 0.827 . . . . 72.530000000000001 109.233 169.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 24.4 p80 . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 109.481 -0.563 . . . . 73.409999999999997 109.481 173.51 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mmm . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 121.144 0.497 . . . . 63.420000000000002 110.309 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -160.6 109.78 1.69 Allowed 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 106.417 -1.697 . . . . 73.019999999999996 106.417 177.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.624 ' HA ' ' HB3' ' A' ' 77' ' ' LYS . 3.9 mm-40 -82.04 141.51 33.13 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.137 0.575 . . . . 53.240000000000002 111.252 -163.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -126.91 114.49 17.94 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.077 0.551 . . . . 71.019999999999996 110.025 -176.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.8 tt -108.43 125.05 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.733 0.813 . . . . 74.150000000000006 109.213 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -110.09 118.63 36.9 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 108.287 -1.005 . . . . 74.109999999999999 108.287 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.45 HG21 HD13 ' A' ' 18' ' ' ILE . 2.6 mp -98.72 127.24 51.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 108.746 -0.835 . . . . 72.430000000000007 108.746 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.525 ' HB3' ' HA ' ' A' ' 82' ' ' LEU . 4.8 t-20 -101.83 112.59 25.25 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 106.964 -1.495 . . . . 74.219999999999999 106.964 173.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.522 HG23 HG12 ' A' ' 15' ' ' ILE . 1.7 t -144.15 119.43 10.2 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.401 0.619 . . . . 44.109999999999999 109.967 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -92.89 7.35 44.27 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 114.891 -1.049 . . . . 71.510000000000005 110.421 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.497 ' ND2' ' HB2' ' A' ' 14' ' ' LEU . 42.1 t30 -104.65 107.23 18.07 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.797 0.839 . . . . 63.0 109.302 178.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -60.86 -44.45 96.99 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.09 0.956 . . . . 65.219999999999999 112.682 -171.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -32.46 74.14 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 123.446 0.466 . . . . 74.109999999999999 110.553 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.497 ' HB2' ' ND2' ' A' ' 11' ' ' ASN . 32.9 tp -68.18 -42.88 79.29 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 123.442 0.464 . . . . 60.329999999999998 110.249 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.534 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 54.0 mt -52.75 -46.53 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 124.289 0.993 . . . . 74.040000000000006 110.274 178.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -59.49 -46.72 87.99 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 124.356 1.035 . . . . 74.140000000000001 110.51 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 43.8 mtpt -64.19 -40.08 95.35 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 114.811 -1.086 . . . . 72.420000000000002 111.594 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.527 ' O ' HG23 ' A' ' 22' ' ' VAL . 96.1 mt -60.41 -48.38 88.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 O-C-N 123.833 0.708 . . . . 74.209999999999994 109.28 178.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.61 ' HG2' HG11 ' A' ' 29' ' ' VAL . 86.3 mttt -52.52 -46.87 66.88 Favored 'General case' 0 C--N 1.359 0.994 0 O-C-N 124.144 0.902 . . . . 73.439999999999998 111.071 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -64.4 -41.45 96.65 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 124.257 0.973 . . . . 72.129999999999995 111.5 -177.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 31.2 mm-40 -63.72 -45.54 89.48 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.13 0.491 . . . . 75.239999999999995 111.459 177.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 18' ' ' ILE . 98.1 t -71.18 -36.08 60.96 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 124.193 0.997 . . . . 74.129999999999995 111.365 -173.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.88 -27.64 63.97 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.352 0.661 . . . . 73.340000000000003 110.986 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -69.84 -34.87 74.21 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.903 0.481 . . . . 74.140000000000001 110.056 172.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 12.0 mm-40 -79.75 -22.2 43.54 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.183 0.593 . . . . 71.25 110.711 178.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.8 36.85 7.1 Favored Glycine 0 C--N 1.348 1.247 0 CA-C-N 116.366 -0.379 . . . . 64.230000000000004 113.797 174.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.452 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 0.7 OUTLIER -107.2 154.98 20.41 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 108.543 -0.91 . . . . 52.200000000000003 108.543 174.59 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.464 ' HB2' HG23 ' A' ' 54' ' ' ILE . 1.8 mp0 -79.61 113.87 18.1 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.982 -0.747 . . . . 75.140000000000001 108.982 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.61 HG11 ' HG2' ' A' ' 19' ' ' LYS . 21.6 t -88.75 104.5 14.87 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 N-CA-C 109.788 -0.449 . . . . 74.530000000000001 109.788 177.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.75 104.84 12.36 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 107.803 -1.184 . . . . 61.539999999999999 107.803 176.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -100.1 144.44 29.13 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 109.511 -0.552 . . . . 52.520000000000003 109.511 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.494 HG11 ' HB3' ' A' ' 38' ' ' LEU . 98.5 t -115.63 120.9 66.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 124.124 0.97 . . . . 74.239999999999995 109.766 -173.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -114.6 -8.56 12.71 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.727 0.811 . . . . 75.310000000000002 109.958 174.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -138.3 151.01 47.19 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.632 0.773 . . . . 73.319999999999993 111.176 -169.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.0 p -65.94 -35.27 80.15 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.759 1.224 . . . . 71.109999999999999 113.047 -177.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.486 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 19.1 m-20 -87.89 -20.14 26.4 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.171 0.588 . . . . 63.210000000000001 109.812 -175.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.511 ' HA ' ' HE3' ' A' ' 40' ' ' LYS . 4.7 tp10 -68.12 -42.66 79.88 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.526 1.13 . . . . 73.540000000000006 110.753 172.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.494 ' HB3' HG11 ' A' ' 32' ' ' VAL . 2.4 pp -64.13 -43.26 95.8 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-N 117.832 0.287 . . . . 72.040000000000006 110.494 -175.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.486 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 18.6 ptpt -68.61 -34.31 75.54 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.135 0.574 . . . . 73.219999999999999 111.562 -171.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.511 ' HE3' ' HA ' ' A' ' 37' ' ' GLU . 20.6 pttp -77.74 -30.04 51.39 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.307 -0.406 . . . . 73.340000000000003 110.554 -176.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -82.4 -25.48 33.69 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.829 0.452 . . . . 71.230000000000004 111.579 176.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 31.4 mmt -65.77 -33.13 75.17 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.572 0.349 . . . . 71.430000000000007 110.322 170.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 27.2 mtpp -68.13 -42.04 80.77 Favored 'General case' 0 C--O 1.207 -1.134 0 CA-C-N 116.028 -0.533 . . . . 71.349999999999994 109.981 173.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -52.7 -34.19 51.12 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 123.532 0.733 . . . . 71.349999999999994 112.521 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.6 mt -67.26 -37.1 82.92 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.155 0.582 . . . . 74.209999999999994 111.415 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.94 -54.27 5.46 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.05 0.94 . . . . 71.129999999999995 111.495 -176.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 12.0 mm-40 -60.81 -44.98 96.15 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.11 0.964 . . . . 74.420000000000002 110.329 -175.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -95.49 114.5 26.27 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 107.671 -1.233 . . . . 74.150000000000006 107.671 175.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -104.45 -49.35 3.58 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.555 0.342 . . . . 62.350000000000001 111.812 -174.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -74.22 -14.22 60.9 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 113.434 0.901 . . . . 42.439999999999998 113.434 -165.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -73.25 153.67 40.52 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 117.987 0.358 . . . . 74.209999999999994 110.051 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.52 171.16 2.7 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.933 0.893 . . . . 73.140000000000001 111.942 -177.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -63.5 147.74 50.55 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.305 -0.861 . . . . 71.319999999999993 112.364 -173.569 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.464 HG23 ' HB2' ' A' ' 28' ' ' GLN . 3.8 mp -111.17 145.07 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 114.82 -1.082 . . . . 72.030000000000001 109.638 -166.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.413 HD22 HG21 ' A' ' 22' ' ' VAL . 2.3 tt -107.72 113.73 27.19 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.519 0.727 . . . . 70.329999999999998 109.093 173.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.6 mm -96.56 139.18 19.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 108.422 -0.955 . . . . 64.5 108.422 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.6 mt -119.31 152.85 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 107.508 -1.293 . . . . 51.509999999999998 107.508 167.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.2 t -150.93 151.27 31.92 Favored 'General case' 0 C--O 1.244 0.777 0 C-N-CA 123.135 0.574 . . . . 75.25 109.919 172.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -72.68 -62.15 1.55 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 114.849 -1.068 . . . . 72.019999999999996 110.089 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -102.45 152.25 21.35 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.195 -0.911 . . . . 71.109999999999999 110.344 -169.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.569 ' HA ' HD12 ' A' ' 64' ' ' LEU . 64.2 mttp -74.81 -16.75 60.69 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.949 0.9 . . . . 64.409999999999997 113.18 -175.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -71.01 -37.68 72.65 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.91 0.386 . . . . 73.349999999999994 110.421 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.48 HD13 HG12 ' A' ' 32' ' ' VAL . 44.5 mt -67.73 -41.15 83.91 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 115.234 -0.894 . . . . 41.43 108.718 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.608 HD13 HD11 ' A' ' 80' ' ' LEU . 94.8 mt -56.66 -53.21 60.31 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 114.365 -1.289 . . . . 44.149999999999999 111.174 175.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -50.47 -48.17 56.72 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 124.447 1.092 . . . . 72.540000000000006 111.628 -173.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -61.45 -51.69 67.66 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 123.999 0.812 . . . . 74.430000000000007 111.354 175.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 79.0 mtm -61.87 -39.64 92.6 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 123.559 0.537 . . . . 74.109999999999999 112.445 -174.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 64.5 mt -56.75 -40.1 75.18 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.148 0.979 . . . . 75.129999999999995 111.574 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.74 -32.13 41.07 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 114.992 -1.004 . . . . 65.109999999999999 111.006 -176.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 97.2 mt -69.53 -42.65 74.37 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.919 -0.582 . . . . 64.340000000000003 110.512 176.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.473 HG23 ' HB2' ' A' ' 76' ' ' TYR . 96.7 mt -65.47 -33.3 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.928 0.891 . . . . 64.150000000000006 110.465 175.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.3 t -66.0 -43.69 86.99 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.317 -0.856 . . . . 71.310000000000002 111.107 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -20.05 59.1 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 111.361 0.134 . . . . 63.32 111.361 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 95.6 mt -74.07 -30.03 62.18 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 109.446 -0.575 . . . . 71.310000000000002 109.446 171.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.94 17.31 30.5 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.331 -0.849 . . . . 54.119999999999997 112.57 174.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.473 ' HB2' HG23 ' A' ' 71' ' ' ILE . 20.3 m-85 -88.07 166.88 14.12 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.458 0.703 . . . . 71.129999999999995 110.748 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.624 ' HB3' ' HA ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -67.05 114.44 5.83 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.09 -0.959 . . . . 61.409999999999997 109.398 174.628 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.7 t -90.55 106.5 17.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 108.38 -0.97 . . . . 74.310000000000002 108.38 174.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -119.48 134.78 55.06 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 106.492 -1.67 . . . . 74.150000000000006 106.492 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.608 HD11 HD13 ' A' ' 64' ' ' LEU . 58.9 tp -133.95 102.45 5.43 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 109.434 -0.58 . . . . 72.030000000000001 109.434 -176.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.2 tp -94.08 112.27 24.08 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 107.753 -1.203 . . . . 74.400000000000006 107.753 172.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.525 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 0.8 OUTLIER -113.03 137.33 51.58 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.19 0.45 . . . . 61.130000000000003 110.853 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.59 133.69 29.44 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 123.794 0.838 . . . . 73.420000000000002 109.441 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.438 ' H ' HD11 ' A' ' 90' ' ' LEU . 3.5 m-20 -154.8 164.41 38.85 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 124.986 1.314 . . . . 50.210000000000001 108.246 174.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -81.31 -13.33 58.52 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.539 -0.755 . . . . 63.310000000000002 110.143 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -108.17 116.39 31.87 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.768 0.827 . . . . 71.409999999999997 108.85 170.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.472 ' HG3' ' HD3' ' A' ' 106' ' ' LYS . 43.1 tt0 -77.27 -23.65 51.16 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.958 0.903 . . . . 75.230000000000004 111.663 -177.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -64.2 -40.11 95.4 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 122.699 0.4 . . . . 71.230000000000004 110.193 -176.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.63 -37.03 79.41 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.089 0.956 . . . . 72.040000000000006 110.949 176.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.438 HD11 ' H ' ' A' ' 84' ' ' ASP . 92.7 mt -62.59 -47.13 85.16 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.883 -0.598 . . . . 63.009999999999998 111.111 177.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' HB3' ' NZ ' ' A' ' 106' ' ' LYS . 12.8 pt-20 -82.17 -28.62 31.98 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 118.701 -0.666 . . . . 75.530000000000001 112.466 -170.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.67 -42.02 74.74 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 118.314 0.506 . . . . 61.43 110.163 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.472 ' O ' HG12 ' A' ' 97' ' ' ILE . 41.8 t80 -73.25 -43.25 61.47 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 115.898 -0.592 . . . . 55.409999999999997 109.788 177.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 56.3 tttp -56.6 -47.11 80.31 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 118.98 -0.533 . . . . 73.140000000000001 111.612 178.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -68.02 -26.13 65.73 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 123.276 0.36 . . . . 73.209999999999994 111.866 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.456 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -66.38 -48.28 70.65 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.354 -0.61 . . . . 73.109999999999999 109.354 170.005 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 93' ' ' PHE . 47.7 mm -67.88 -28.64 42.14 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.163 0 C-N-CA 124.07 0.948 . . . . 74.010000000000005 111.808 -177.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 63.4 mm-40 -58.38 -47.87 82.47 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.817 0.847 . . . . 70.140000000000001 110.18 167.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.1 t -70.05 -30.87 68.25 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.096 -0.956 . . . . 61.329999999999998 110.995 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 87.7 mm-40 -75.91 -20.82 57.7 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.651 0.78 . . . . 74.219999999999999 110.317 176.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.79 39.82 10.12 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 123.498 0.499 . . . . 72.010000000000005 113.6 173.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -114.34 149.8 35.5 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.272 -0.64 . . . . 72.150000000000006 109.272 174.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -67.77 116.15 8.13 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.547 0.739 . . . . 73.510000000000005 109.419 175.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.2 p -137.18 126.21 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 123.333 0.653 . . . . 75.209999999999994 110.935 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -110.97 144.03 40.71 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.206 1.003 . . . . 72.349999999999994 109.238 177.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.474 ' HA ' HD12 ' A' ' 82' ' ' LEU . 32.1 ttmt -111.8 141.44 45.43 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.222 0.609 . . . . 73.549999999999997 110.492 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.1 m -144.71 125.59 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.117 0.967 . . . . 64.409999999999997 108.897 168.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.5 m -77.75 -29.77 51.23 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 121.532 0.682 . . . . 64.209999999999994 109.658 172.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -83.5 135.89 34.49 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 114.993 -1.003 . . . . 54.520000000000003 110.224 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.13 -35.31 74.0 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.025 0.93 . . . . 70.120000000000005 111.317 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.7 -34.67 74.23 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.333 0.653 . . . . 73.219999999999999 111.126 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -74.56 -23.85 58.84 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.213 0.605 . . . . 74.340000000000003 111.093 177.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.99 97.89 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.533 0.521 . . . . 74.420000000000002 110.319 171.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.472 ' O ' ' HD3' ' A' ' 118' ' ' ARG . 96.1 mt -61.76 -42.19 98.66 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 115.897 -0.592 . . . . 73.129999999999995 109.99 175.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -58.46 -48.58 80.28 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.293 0.637 . . . . 73.049999999999997 111.361 -176.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.4 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 37.2 mt -71.89 -25.51 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 O-C-N 123.643 0.589 . . . . 61.329999999999998 111.608 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 38.0 t -59.19 -48.84 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 122.601 0.36 . . . . 74.219999999999999 110.077 170.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.472 ' HD3' ' O ' ' A' ' 114' ' ' LEU . 1.1 mpt_? -69.04 -37.18 78.45 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 116.544 -0.298 . . . . 75.439999999999998 110.78 177.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 123' ' ' LYS . 44.2 mt-10 -60.63 -38.02 83.39 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 119.071 -0.49 . . . . 60.409999999999997 111.571 175.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -57.27 -31.43 65.59 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.504 0.322 . . . . 75.230000000000004 111.021 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.434 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 14.7 mmt -62.45 -26.96 68.79 Favored 'General case' 0 CA--C 1.559 1.327 0 C-N-CA 122.899 0.48 . . . . 62.039999999999999 111.805 -178.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -100.41 -29.84 12.17 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 123.255 0.622 . . . . 61.140000000000001 111.959 173.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 32.0 mmmt -73.24 -26.62 61.19 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.486 0.714 . . . . 70.209999999999994 110.814 -177.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.53 -9.4 58.54 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.063 0.945 . . . . 55.520000000000003 110.915 177.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.95 94.45 0.08 OUTLIER Glycine 0 C--N 1.357 1.738 0 N-CA-C 109.551 -1.42 . . . . 65.400000000000006 109.551 167.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.0 m -66.39 82.47 0.09 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.471 1.109 . . . . 60.219999999999999 111.507 -166.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -73.68 177.72 5.24 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.978 0.911 . . . . 65.129999999999995 110.033 176.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -63.58 99.34 0.21 Allowed 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 121.662 0.744 . . . . 64.150000000000006 109.531 175.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -76.99 111.04 12.13 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.212 -0.903 . . . . 75.310000000000002 109.974 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -71.13 95.34 1.23 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 121.596 0.712 . . . . 71.409999999999997 109.118 171.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -151.05 74.79 1.17 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.802 0.81 . . . . 64.310000000000002 109.095 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -100.22 -158.55 0.68 Allowed 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 114.942 -1.026 . . . . 64.219999999999999 109.835 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -66.8 117.28 8.7 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.551 0.74 . . . . 64.349999999999994 110.838 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 30.1 p80 . . . . . 0 CA--C 1.554 1.125 0 C-N-CA 123.326 0.651 . . . . 74.049999999999997 109.992 176.184 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 ttm . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 109.945 -0.391 . . . . 60.420000000000002 109.945 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -105.58 151.12 24.73 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.386 -0.598 . . . . 74.349999999999994 109.386 172.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.63 ' HG3' ' HB3' ' A' ' 77' ' ' LYS . 14.5 mp0 -124.03 149.38 46.14 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.921 0.889 . . . . 62.130000000000003 109.16 174.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.494 ' HB2' HG21 ' A' ' 71' ' ' ILE . 4.2 mm? -128.62 112.55 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.512 -0.921 . . . . 73.0 108.512 175.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.4 tt -97.89 122.06 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 108.632 -0.877 . . . . 42.229999999999997 108.632 174.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.474 ' HB3' HD22 ' A' ' 64' ' ' LEU . 6.1 mp -105.63 121.36 43.83 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.314 -0.995 . . . . 75.299999999999997 108.314 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.683 HG21 HD13 ' A' ' 18' ' ' ILE . 2.2 mp -98.78 138.41 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 108.859 -0.793 . . . . 73.230000000000004 108.859 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.591 ' HB2' HD11 ' A' ' 64' ' ' LEU . 3.9 t-20 -125.62 129.46 49.68 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 107.176 -1.416 . . . . 75.430000000000007 107.176 171.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -146.64 145.0 29.9 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 122.714 0.405 . . . . 61.140000000000001 111.045 -176.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.41 ' HB2' ' HA ' ' A' ' 84' ' ' ASP . 24.2 t-20 -82.38 -27.12 32.3 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.198 0.999 . . . . 74.129999999999995 110.816 176.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.413 HD22 ' HB2' ' A' ' 14' ' ' LEU . 49.0 t30 -100.97 119.12 38.26 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.644 0.778 . . . . 61.329999999999998 110.974 -170.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -68.65 -33.66 74.38 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.908 0.883 . . . . 53.140000000000001 111.465 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -63.34 -35.71 81.27 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.569 0.748 . . . . 72.340000000000003 109.91 176.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.559 HD13 ' HB3' ' A' ' 110' ' ' ASP . 45.2 tp -70.37 -41.33 73.25 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.527 -0.749 . . . . 62.399999999999999 110.236 177.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.535 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 61.0 mt -50.83 -44.91 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 124.007 0.817 . . . . 75.209999999999994 110.428 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -61.07 -48.02 83.67 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 124.242 0.964 . . . . 75.230000000000004 110.844 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.612 ' HE2' HD11 ' A' ' 114' ' ' LEU . 51.7 mtpt -62.52 -37.19 85.1 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.059 0.944 . . . . 54.130000000000003 111.717 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.683 HD13 HG21 ' A' ' 7' ' ' ILE . 95.1 mt -63.08 -48.51 87.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 123.809 0.844 . . . . 73.5 109.054 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 94.5 mttt -50.86 -43.28 59.31 Favored 'General case' 0 C--N 1.361 1.106 0 O-C-N 124.507 1.13 . . . . 61.030000000000001 110.736 178.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -71.77 -31.7 66.9 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.058 -0.974 . . . . 54.039999999999999 111.814 -177.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.529 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 24.8 mm-40 -66.09 -37.52 85.98 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.645 0.378 . . . . 70.140000000000001 110.243 172.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.648 HG21 HD22 ' A' ' 55' ' ' LEU . 20.9 t -70.93 -29.4 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.659 0.784 . . . . 72.409999999999997 110.201 178.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 18.2 mm-40 -67.05 -36.43 82.04 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.284 0.633 . . . . 75.239999999999995 109.994 173.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -65.58 -29.02 69.57 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.196 0.599 . . . . 74.200000000000003 110.409 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 51.2 mm-40 -94.08 -19.92 20.4 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.33 0.652 . . . . 75.519999999999996 111.31 -177.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.44 30.09 50.68 Favored Glycine 0 CA--C 1.532 1.144 0 N-CA-C 114.044 0.378 . . . . 64.049999999999997 114.044 178.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.416 ' OH ' ' HE2' ' A' ' 53' ' ' LYS . 2.2 m-30 -99.59 168.41 9.97 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.34 0.656 . . . . 65.349999999999994 109.888 178.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -83.5 114.67 21.65 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.255 0.622 . . . . 73.010000000000005 109.936 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.419 HG11 ' HG2' ' A' ' 19' ' ' LYS . 45.2 t -79.22 109.99 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 109.566 -0.531 . . . . 74.430000000000007 109.566 172.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -120.34 106.71 12.13 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 108.703 -0.851 . . . . 74.25 108.703 172.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -102.86 140.32 37.29 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.419 0.688 . . . . 54.210000000000001 109.403 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.56 HG11 ' HB3' ' A' ' 38' ' ' LEU . 75.8 t -134.6 122.39 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.352 1.061 . . . . 64.140000000000001 109.093 -173.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -121.77 9.71 10.15 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.08 0.952 . . . . 74.239999999999995 109.923 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -145.33 144.35 30.67 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.437 0.695 . . . . 73.140000000000001 110.387 -170.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.0 m -67.46 -30.19 69.84 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.093 0.957 . . . . 51.109999999999999 112.849 -174.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 28.8 t70 -78.27 -32.33 49.49 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.115 0.566 . . . . 73.230000000000004 110.458 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 32.6 mm-40 -66.79 -38.12 85.9 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 112.232 0.456 . . . . 74.409999999999997 112.232 -178.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.56 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.7 pp -65.47 -39.72 92.29 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 111.756 0.28 . . . . 62.450000000000003 111.756 -175.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 17.7 ptpt -70.24 -26.92 64.06 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 123.349 0.406 . . . . 74.129999999999995 110.045 -176.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.472 ' HD3' ' HA ' ' A' ' 37' ' ' GLU . 53.5 mtpt -70.81 -39.97 72.76 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.252 1.021 . . . . 64.340000000000003 110.897 173.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 6.2 mm-40 -68.0 -41.31 82.45 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.947 0.499 . . . . 71.549999999999997 110.707 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.7 mmt -58.82 -38.51 78.82 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 123.731 0.644 . . . . 72.430000000000007 110.75 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 98.6 mttt -60.58 -45.41 94.03 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 123.977 0.798 . . . . 74.140000000000001 110.267 177.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -69.31 -22.71 63.77 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.011 0.745 . . . . 63.409999999999997 113.011 -176.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.2 mt -70.21 -34.71 73.25 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 122.903 0.481 . . . . 74.230000000000004 111.299 175.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.67 -43.14 14.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.201 0.601 . . . . 52.43 110.695 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -59.35 -48.34 82.02 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.164 0.986 . . . . 75.25 110.379 176.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -108.22 99.98 9.34 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.98 0.912 . . . . 74.230000000000004 108.779 177.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -105.41 -31.27 9.1 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.619 0.768 . . . . 64.349999999999994 111.513 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -85.59 71.72 10.7 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.732 0.813 . . . . 63.039999999999999 111.487 -165.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.411 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 1.3 p90 -175.45 -178.02 1.08 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.743 1.217 . . . . 71.049999999999997 109.732 175.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.29 -175.32 0.34 Allowed 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.624 0.726 . . . . 73.109999999999999 111.778 175.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.555 ' HD3' ' H ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -93.37 154.2 18.1 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.561 -0.745 . . . . 61.509999999999998 111.649 -168.535 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 54' ' ' ILE . 3.7 mp -107.84 141.69 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 114.44 -1.255 . . . . 53.530000000000001 109.348 -168.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.648 HD22 HG21 ' A' ' 22' ' ' VAL . 6.5 tt -103.11 117.45 34.59 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.336 0.654 . . . . 64.439999999999998 109.311 177.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.1 mm -98.68 139.63 20.17 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 124.108 0.963 . . . . 74.319999999999993 109.319 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.1 mt -120.18 141.68 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 N-CA-C 107.48 -1.304 . . . . 74.319999999999993 107.48 168.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.7 t -156.89 137.96 13.59 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.666 0.786 . . . . 62.310000000000002 109.849 172.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -96.16 13.67 26.55 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.607 0.763 . . . . 61.0 112.33 -171.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -139.48 134.17 31.91 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.855 0.462 . . . . 73.209999999999994 110.188 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.586 ' HA ' HD12 ' A' ' 64' ' ' LEU . 70.9 mttt -72.14 -26.75 62.23 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.197 0.999 . . . . 74.150000000000006 112.426 -172.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -76.7 -31.85 57.48 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 110.142 -0.318 . . . . 52.32 110.142 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.3 mt -68.24 -46.04 71.58 Favored 'General case' 0 C--N 1.356 0.869 0 N-CA-C 108.965 -0.754 . . . . 61.32 108.965 174.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.591 HD11 ' HB2' ' A' ' 8' ' ' ASN . 91.9 mt -53.5 -52.36 59.84 Favored 'General case' 0 C--N 1.363 1.168 0 CA-C-N 114.562 -1.199 . . . . 51.310000000000002 110.062 174.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 14.6 tppt? -57.83 -48.62 79.22 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.351 1.06 . . . . 72.510000000000005 111.301 -174.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -55.22 -48.07 74.42 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 123.872 0.732 . . . . 63.009999999999998 110.811 177.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 78.9 mtm -63.84 -44.67 92.5 Favored 'General case' 0 CA--C 1.55 0.949 0 O-C-N 123.835 0.71 . . . . 64.010000000000005 111.731 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 83.6 mt -54.3 -39.92 67.44 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 124.371 1.068 . . . . 74.219999999999999 111.437 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 13.9 mm-40 -73.14 -42.94 62.3 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.862 0.726 . . . . 73.400000000000006 110.812 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 98.8 mt -64.22 -42.69 96.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.006 0.522 . . . . 54.409999999999997 111.662 -178.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.494 HG21 ' HB2' ' A' ' 4' ' ' LEU . 49.5 mt -66.97 -32.62 58.83 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 124.194 0.998 . . . . 74.209999999999994 110.472 177.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.4 t -65.05 -42.99 93.77 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.98 0.912 . . . . 45.509999999999998 110.774 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -16.22 43.19 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.743 0.417 . . . . 73.209999999999994 111.435 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.5 mt -71.92 -27.24 62.68 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 109.482 -0.562 . . . . 75.0 109.482 168.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.68 12.42 55.71 Favored Glycine 0 C--N 1.346 1.107 0 CA-C-N 115.714 -0.676 . . . . 71.140000000000001 112.698 174.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -83.4 156.36 23.0 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 123.273 0.629 . . . . 73.129999999999995 109.698 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.63 ' HB3' ' HG3' ' A' ' 3' ' ' GLU . 7.4 ttpm? -83.48 118.33 23.68 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.656 -0.868 . . . . 72.230000000000004 108.656 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.403 HG22 HG22 ' A' ' 71' ' ' ILE . 20.5 t -92.62 137.78 21.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 115.405 -0.816 . . . . 71.150000000000006 110.745 -169.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -132.36 141.54 48.96 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 107.151 -1.426 . . . . 64.010000000000005 107.151 174.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.8 tp -131.22 142.08 50.12 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 107.861 -1.163 . . . . 64.25 107.861 174.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.6 tp -142.29 113.78 7.83 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 106.848 -1.538 . . . . 75.519999999999996 106.848 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.414 HD13 ' HD2' ' A' ' 93' ' ' PHE . 2.0 pt? -126.64 143.73 51.13 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.009 0.433 . . . . 63.329999999999998 111.183 -176.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.9 149.62 33.6 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.731 1.212 . . . . 64.239999999999995 108.388 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.46 ' HB2' HD21 ' A' ' 90' ' ' LEU . 8.5 t70 -163.96 170.81 16.15 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 107.405 -1.331 . . . . 72.420000000000002 107.405 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -76.93 -17.54 58.84 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.72 0.408 . . . . 71.019999999999996 110.618 174.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -113.6 123.98 51.25 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.303 0.641 . . . . 54.439999999999998 109.673 175.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.449 ' HA ' HD12 ' A' ' 90' ' ' LEU . 42.4 tt0 -79.2 -24.88 42.86 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.642 0.777 . . . . 74.349999999999994 111.772 -175.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.447 ' HA ' ' HG2' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -67.04 -39.63 87.0 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 118.115 0.416 . . . . 63.43 110.765 -179.027 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -58.07 -33.7 69.34 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.801 0.84 . . . . 60.25 112.106 174.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' ' 84' ' ' ASP . 76.5 mt -81.83 -51.03 8.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.844 -1.071 . . . . 63.140000000000001 111.634 -175.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.447 ' HG2' ' HA ' ' A' ' 88' ' ' ASN . 13.0 pt-20 -65.89 -30.41 71.01 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.978 0.799 . . . . 64.140000000000001 111.172 -171.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.48 -38.89 65.24 Favored 'General case' 0 C--N 1.358 0.937 0 O-C-N 123.624 0.577 . . . . 74.129999999999995 110.999 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.537 ' O ' HG12 ' A' ' 97' ' ' ILE . 11.7 t80 -71.62 -48.5 47.58 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 108.877 -0.786 . . . . 63.509999999999998 108.877 175.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -54.79 -49.68 70.37 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.687 1.195 . . . . 61.409999999999997 112.145 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -25.99 68.26 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 123.758 0.661 . . . . 71.0 111.709 -175.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -72.4 -47.72 47.08 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.869 0.467 . . . . 62.119999999999997 110.002 172.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.537 HG12 ' O ' ' A' ' 93' ' ' PHE . 50.8 mm -65.04 -38.07 81.85 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 C-N-CA 123.972 0.909 . . . . 73.049999999999997 111.348 -173.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -30.52 65.99 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.657 0.383 . . . . 71.409999999999997 111.364 174.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.5 m -70.22 -25.26 63.31 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.54 0.336 . . . . 61.039999999999999 110.966 173.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -93.75 9.53 36.72 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.958 0.903 . . . . 73.420000000000002 112.035 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.35 23.01 66.4 Favored Glycine 0 C--N 1.352 1.428 0 N-CA-C 114.235 0.454 . . . . 35.310000000000002 114.235 170.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.463 ' HB2' HG22 ' A' ' 97' ' ' ILE . 64.7 m-85 -101.6 150.58 22.94 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.002 0.521 . . . . 64.129999999999995 109.75 174.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -77.54 121.64 24.16 Favored 'General case' 0 C--N 1.347 0.478 0 N-CA-C 108.142 -1.058 . . . . 73.540000000000006 108.142 169.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.0 138.88 43.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 123.342 0.657 . . . . 74.5 110.24 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -129.07 122.97 31.08 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.898 0.879 . . . . 60.219999999999999 109.122 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.96 126.78 51.34 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.084 0.953 . . . . 60.210000000000001 108.967 177.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.4 m -130.02 179.03 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 123.984 0.914 . . . . 75.099999999999994 108.604 172.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.5 m -137.22 -38.6 0.61 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.888 -0.782 . . . . 75.120000000000005 108.888 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.472 ' HB3' ' HG2' ' A' ' 111' ' ' GLU . 11.4 m-20 -72.3 137.19 46.53 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.532 -0.758 . . . . 74.510000000000005 109.74 176.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.559 ' HB3' HD13 ' A' ' 14' ' ' LEU . 6.4 m-20 -59.97 -36.63 77.55 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.496 1.119 . . . . 61.020000000000003 111.044 175.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' A' ' 109' ' ' ASP . 13.6 pt-20 -65.29 -45.02 86.09 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.852 0.861 . . . . 74.219999999999999 110.815 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -70.19 -23.91 63.04 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.666 0.386 . . . . 63.399999999999999 111.107 -178.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -68.18 -47.04 69.04 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.826 0.45 . . . . 72.510000000000005 110.523 173.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.612 HD11 ' HE2' ' A' ' 17' ' ' LYS . 83.2 mt -67.18 -29.96 69.78 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.35 0.66 . . . . 74.129999999999995 111.224 177.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -71.1 -38.21 72.36 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.237 1.015 . . . . 72.430000000000007 111.01 -176.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 20.5 mt -78.84 -22.62 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 C-N-CA 123.519 0.728 . . . . 43.229999999999997 111.504 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.466 ' O ' ' HG2' ' A' ' 121' ' ' MET . 88.3 t -50.62 -40.69 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 109.899 -0.408 . . . . 64.319999999999993 109.899 166.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -70.87 -42.49 69.98 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.224 0.609 . . . . 74.030000000000001 111.191 176.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -54.68 -40.92 69.59 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.0 0.92 . . . . 73.040000000000006 111.374 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -58.0 -45.42 86.88 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.058 0.543 . . . . 73.0 111.323 173.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 18.4 mmt -61.56 -21.68 64.51 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 112.974 0.731 . . . . 60.539999999999999 112.974 -172.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -95.77 -39.12 10.02 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.468 0.307 . . . . 73.140000000000001 110.984 171.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.49 ' HA ' ' HB3' ' A' ' 127' ' ' LEU . 23.7 ttmm -69.7 -26.19 64.24 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.599 0.76 . . . . 74.209999999999994 112.015 -174.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.06 -61.33 1.89 Allowed 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.316 -0.856 . . . . 71.430000000000007 110.733 -173.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.54 -69.27 1.39 Allowed Glycine 0 C--N 1.348 1.236 0 O-C-N 123.874 0.734 . . . . 62.130000000000003 112.442 -177.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.7 t -147.93 107.16 3.88 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.177 0.591 . . . . 61.350000000000001 109.907 -176.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.49 ' HB3' ' HA ' ' A' ' 123' ' ' LYS . 36.3 tp -155.91 103.0 2.21 Favored 'General case' 0 C--O 1.245 0.84 0 N-CA-C 107.032 -1.47 . . . . 71.230000000000004 107.032 172.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -73.38 89.63 1.63 Allowed 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.028 -0.73 . . . . 73.519999999999996 109.028 -177.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -56.54 105.66 0.22 Allowed 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.159 -0.928 . . . . 73.109999999999999 111.301 -172.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -73.91 -4.08 32.88 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.836 0.854 . . . . 73.230000000000004 111.23 176.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -60.41 98.93 0.07 Allowed 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 107.202 -1.407 . . . . 71.219999999999999 107.202 161.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -63.49 -23.38 67.37 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 113.903 1.075 . . . . 73.129999999999995 113.903 -163.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -85.83 -68.29 0.74 Allowed 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 109.284 -0.635 . . . . 71.329999999999998 109.284 177.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 . . . . . 0 C--O 1.249 1.039 0 N-CA-C 108.674 -0.861 . . . . 73.530000000000001 108.674 -177.907 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.9 ttp . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 121.178 0.513 . . . . 60.229999999999997 110.058 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 76' ' ' TYR . 21.0 pttm -150.45 139.11 20.68 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 107.313 -1.366 . . . . 74.319999999999993 107.313 172.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.59 ' HG2' ' HB3' ' A' ' 77' ' ' LYS . 22.5 mt-10 -71.01 154.66 41.62 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 118.796 0.725 . . . . 63.32 110.936 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.516 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.6 OUTLIER -136.46 110.82 8.47 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 108.452 -0.944 . . . . 53.420000000000002 108.452 -177.528 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.5 tt -104.43 135.99 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.457 0.703 . . . . 71.329999999999998 109.838 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mp -116.37 128.35 55.44 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.845 -1.169 . . . . 71.549999999999997 107.845 174.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 2.4 mp -105.51 142.88 17.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 108.006 -1.109 . . . . 74.319999999999993 108.006 175.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.682 ' HB2' HD11 ' A' ' 64' ' ' LEU . 4.7 t-20 -128.13 129.83 47.16 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 107.47 -1.307 . . . . 64.319999999999993 107.47 168.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.547 HG23 HG12 ' A' ' 15' ' ' ILE . 1.3 t -145.75 127.65 15.44 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.983 -0.747 . . . . 65.109999999999999 108.983 174.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.468 HD22 ' HG3' ' A' ' 85' ' ' GLN . 60.7 t30 -73.12 -28.52 62.31 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 114.893 -1.049 . . . . 65.129999999999995 109.696 175.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -75.95 111.02 10.89 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.76 1.224 . . . . 72.400000000000006 110.592 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.436 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 4.9 m-20 -59.7 -40.81 89.15 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 124.118 0.967 . . . . 71.450000000000003 111.509 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.82 -44.83 86.68 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 124.481 1.113 . . . . 73.209999999999994 110.206 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.546 HD22 ' HA ' ' A' ' 110' ' ' ASP . 35.9 tp -64.92 -38.65 91.68 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.626 -0.702 . . . . 65.420000000000002 110.997 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.547 HG12 HG23 ' A' ' 9' ' ' THR . 50.6 mt -53.39 -51.45 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 109.626 -0.509 . . . . 73.120000000000005 109.626 176.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 13.9 mmmm -56.42 -46.88 80.01 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 124.274 0.983 . . . . 71.310000000000002 111.05 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.403 ' HE2' HD11 ' A' ' 114' ' ' LEU . 59.1 mtpt -64.08 -46.77 82.81 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 114.793 -1.094 . . . . 74.040000000000006 111.388 -175.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 22' ' ' VAL . 64.9 mt -60.31 -49.05 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 124.074 0.859 . . . . 63.219999999999999 109.71 178.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 51.4 mtmt -54.22 -49.24 69.89 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 123.755 0.659 . . . . 51.439999999999998 111.343 -177.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -67.67 -35.17 78.36 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 123.563 0.54 . . . . 70.040000000000006 111.709 -177.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 71.8 mm-40 -58.59 -54.21 49.62 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-O 121.645 0.736 . . . . 62.020000000000003 110.369 173.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 18' ' ' ILE . 88.6 t -70.43 -30.28 42.26 Favored 'Isoleucine or valine' 0 C--O 1.247 0.966 0 CA-C-N 114.183 -1.372 . . . . 75.239999999999995 112.278 -169.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -57.68 -49.15 77.46 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.008 0.523 . . . . 74.030000000000001 109.671 170.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -69.58 -24.49 63.69 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.182 0.993 . . . . 72.230000000000004 111.535 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 85.2 mm-40 -76.5 -15.37 59.9 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.172 0.589 . . . . 71.430000000000007 111.565 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.51 17.87 47.61 Favored Glycine 0 C--N 1.344 0.974 0 O-C-N 123.238 0.336 . . . . 75.209999999999994 113.07 177.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.493 ' OH ' ' HA ' ' A' ' 121' ' ' MET . 1.8 m-85 -97.04 159.09 15.11 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.344 0.658 . . . . 72.340000000000003 109.673 177.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.426 ' HB2' HG23 ' A' ' 54' ' ' ILE . 22.8 mp0 -86.39 112.75 21.75 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 107.752 -1.203 . . . . 73.239999999999995 107.752 176.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.3 t -88.77 110.85 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 109.306 -0.627 . . . . 75.239999999999995 109.306 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -123.06 105.68 10.15 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.285 -1.006 . . . . 62.450000000000003 108.285 175.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -89.19 151.31 22.24 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.833 -0.803 . . . . 73.239999999999995 108.833 177.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.606 HG12 HD13 ' A' ' 63' ' ' LEU . 98.5 t -130.66 121.43 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.655 -0.868 . . . . 61.409999999999997 108.655 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -129.32 17.64 5.97 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.76 0.824 . . . . 70.219999999999999 110.16 177.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -161.96 151.33 16.0 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.984 0.913 . . . . 70.400000000000006 109.971 -175.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.4 m -67.16 -36.6 82.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.956 0.902 . . . . 72.319999999999993 112.077 -178.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.506 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 8.1 m-20 -77.54 -20.32 54.34 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 110.007 -0.368 . . . . 72.430000000000007 110.007 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 37.3 mm-40 -68.65 -45.73 71.03 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.816 0.446 . . . . 73.040000000000006 111.236 170.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.448 ' O ' ' HG2' ' A' ' 42' ' ' MET . 1.2 pp -63.12 -41.27 99.3 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 110.263 -0.273 . . . . 72.340000000000003 110.263 -175.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 17.7 ptpt -64.96 -27.34 68.77 Favored 'General case' 0 CA--C 1.554 1.131 0 O-C-N 123.016 0.197 . . . . 52.329999999999998 111.43 -176.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -70.16 -55.47 9.3 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.488 0.715 . . . . 71.219999999999999 110.392 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 16.7 mm-40 -64.17 -38.14 89.99 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.795 0.838 . . . . 72.129999999999995 111.402 -171.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 87.6 mmm -68.27 -32.39 72.52 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.473 0.709 . . . . 75.0 111.504 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 53.1 mtpt -67.78 -43.76 79.03 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 118.901 -0.571 . . . . 75.439999999999998 109.941 174.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -53.22 -33.84 54.58 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 123.6 0.76 . . . . 72.120000000000005 112.27 -177.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.0 mt -65.61 -38.11 88.51 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.208 1.003 . . . . 62.439999999999998 110.931 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.43 -32.82 20.67 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.476 1.11 . . . . 73.439999999999998 112.22 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 20.6 mm-40 -73.22 -55.12 6.87 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 108.734 -0.839 . . . . 75.200000000000003 108.734 -176.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -83.16 129.48 35.02 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 114.807 -1.088 . . . . 65.310000000000002 108.462 174.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -104.1 -56.77 2.14 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.753 0.821 . . . . 75.150000000000006 109.957 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -85.17 86.89 7.34 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.838 -0.619 . . . . 72.140000000000001 111.176 -174.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -167.5 154.67 8.53 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.324 1.45 . . . . 71.310000000000002 108.211 168.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.427 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 13.4 pt-20 -70.15 173.94 6.06 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.235 0.614 . . . . 64.099999999999994 111.983 -172.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.484 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -47.75 132.25 14.49 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.13 1.372 . . . . 50.399999999999999 112.804 174.324 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.426 HG23 ' HB2' ' A' ' 28' ' ' GLN . 4.0 mp -103.89 146.29 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.109 0.963 . . . . 72.420000000000002 109.376 -174.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.406 HD22 HG11 ' A' ' 22' ' ' VAL . 4.9 tt -107.09 112.09 24.85 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 123.339 0.656 . . . . 55.030000000000001 109.369 175.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.3 mm -96.97 138.73 21.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 N-CA-C 108.135 -1.061 . . . . 60.439999999999998 108.135 175.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.4 mt -116.81 152.72 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 107.206 -1.405 . . . . 43.109999999999999 107.206 169.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.1 t -146.51 149.49 33.72 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 124.004 0.922 . . . . 54.399999999999999 108.726 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -93.7 -6.42 46.29 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.116 0.966 . . . . 72.540000000000006 110.596 -178.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -141.79 150.93 42.34 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.427 0.691 . . . . 75.150000000000006 111.198 -172.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -85.85 -28.78 24.21 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.187 0.995 . . . . 75.340000000000003 112.467 -173.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -65.32 -36.09 82.98 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 109.477 -0.564 . . . . 75.120000000000005 109.477 176.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.606 HD13 HG12 ' A' ' 32' ' ' VAL . 75.0 mt -65.5 -45.88 81.86 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.428 0.691 . . . . 42.340000000000003 110.009 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' A' ' 8' ' ' ASN . 96.0 mt -50.72 -59.64 3.87 Favored 'General case' 0 C--N 1.37 1.458 0 O-C-N 124.315 1.009 . . . . 74.310000000000002 110.43 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.505 ' HA ' HD12 ' A' ' 68' ' ' LEU . 37.3 ttpt -59.92 -41.99 92.95 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 125.051 1.469 . . . . 72.109999999999999 110.988 -167.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -54.09 -54.17 43.18 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 124.295 0.997 . . . . 61.229999999999997 110.564 173.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.449 ' O ' HG13 ' A' ' 71' ' ' ILE . 78.9 mtm -63.26 -43.22 98.6 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.239 -0.891 . . . . 74.230000000000004 111.57 -176.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 65' ' ' LYS . 74.6 mt -54.85 -42.23 71.71 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.259 1.024 . . . . 62.340000000000003 111.026 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -66.87 -44.65 80.38 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.754 -1.112 . . . . 72.239999999999995 110.726 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.84 -45.06 90.94 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.694 0.797 . . . . 73.349999999999994 111.198 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.516 HD13 ' HB3' ' A' ' 4' ' ' LEU . 89.9 mt -59.6 -33.04 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 124.848 1.259 . . . . 62.439999999999998 111.79 -178.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.1 t -62.07 -47.07 86.31 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 115.501 -0.772 . . . . 64.239999999999995 111.136 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.405 ' HD2' ' H ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -86.92 -7.34 58.28 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 111.73 0.27 . . . . 63.409999999999997 111.73 178.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.2 mt -76.95 -31.03 56.3 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 109.888 -0.412 . . . . 74.030000000000001 109.888 168.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.99 50.89 2.01 Favored Glycine 0 C--N 1.347 1.171 0 CA-C-N 116.296 -0.411 . . . . 71.109999999999999 112.63 175.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.484 ' HB2' HG23 ' A' ' 71' ' ' ILE . 16.7 m-85 -128.38 144.36 51.12 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.846 0.859 . . . . 74.109999999999999 109.577 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.59 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . 49.9 tttm -71.63 117.04 12.71 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.053 -0.721 . . . . 71.409999999999997 109.053 174.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.43 129.8 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.652 0.781 . . . . 60.020000000000003 110.754 -168.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -123.33 149.31 45.03 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 107.872 -1.159 . . . . 73.200000000000003 107.872 172.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.409 HD22 HD11 ' A' ' 68' ' ' LEU . 56.1 tp -141.73 143.25 33.42 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 107.738 -1.208 . . . . 45.229999999999997 107.738 178.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 35.9 tp -144.2 128.65 17.97 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 105.918 -1.882 . . . . 63.5 105.918 178.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 106' ' ' LYS . 1.3 pp -145.73 149.0 33.6 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.256 0.55 . . . . 64.519999999999996 111.832 -174.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.448 ' HB3' HG23 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -150.7 155.76 39.96 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-N 114.291 -1.322 . . . . 74.530000000000001 108.988 175.392 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.473 ' HB2' HD21 ' A' ' 90' ' ' LEU . 6.0 t70 -157.74 173.08 17.37 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 107.893 -1.151 . . . . 72.25 107.893 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.468 ' HG3' HD22 ' A' ' 10' ' ' ASN . 77.4 mt-30 -60.28 -52.69 64.19 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 109.233 -0.654 . . . . 74.430000000000007 109.233 167.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -92.77 119.1 31.8 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.603 -0.726 . . . . 54.439999999999998 109.518 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.576 ' HA ' HD12 ' A' ' 90' ' ' LEU . 50.4 tt0 -75.02 -27.49 60.1 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.372 1.069 . . . . 71.430000000000007 111.647 -176.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.403 ' HA ' ' HG2' ' A' ' 91' ' ' GLU . 19.6 m120 -70.96 -34.28 71.29 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 116.491 -0.322 . . . . 73.340000000000003 111.109 -176.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -58.03 -35.47 71.33 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.172 0.589 . . . . 74.230000000000004 111.193 172.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 87' ' ' GLU . 80.2 mt -72.31 -47.79 47.16 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.843 -1.072 . . . . 75.519999999999996 111.803 -177.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.524 ' HB3' ' HE2' ' A' ' 106' ' ' LYS . 8.4 pt-20 -81.54 -25.31 35.99 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 123.425 0.453 . . . . 74.209999999999994 112.134 -173.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -74.92 -30.41 61.25 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 117.883 0.31 . . . . 72.200000000000003 110.39 171.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -71.49 -39.77 70.65 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 122.376 0.27 . . . . 71.230000000000004 110.524 168.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.646 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 28.4 ttpp -65.73 -42.32 91.19 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.459 0.704 . . . . 74.030000000000001 111.862 -173.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -57.8 -27.19 62.9 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.033 0.533 . . . . 72.109999999999999 111.755 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.12 -34.94 59.48 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.411 1.084 . . . . 64.030000000000001 110.496 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.414 HG22 ' HB2' ' A' ' 102' ' ' TYR . 32.9 mm -78.1 -41.01 26.68 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 C-N-CA 124.531 1.132 . . . . 74.120000000000005 111.086 -177.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.44 -31.28 72.43 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.576 1.15 . . . . 74.310000000000002 111.505 173.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.3 t -63.34 -37.55 87.68 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 123.806 0.691 . . . . 75.0 110.723 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -80.19 -21.49 42.92 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.723 0.809 . . . . 51.539999999999999 110.898 175.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.34 33.8 7.87 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 116.385 -0.37 . . . . 64.310000000000002 113.485 172.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.414 ' HB2' HG22 ' A' ' 97' ' ' ILE . 20.7 m-85 -94.91 143.09 26.75 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.729 -0.471 . . . . 75.25 109.729 176.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -75.22 92.56 2.73 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.572 0.749 . . . . 74.519999999999996 110.02 -175.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 p -110.32 138.85 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 123.704 0.802 . . . . 73.310000000000002 111.369 -172.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -123.01 118.95 28.96 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.401 1.081 . . . . 62.119999999999997 108.948 177.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.646 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 1.3 tmmt? -103.3 124.23 48.26 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.186 0.994 . . . . 62.240000000000002 109.373 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.448 HG23 ' HB3' ' A' ' 83' ' ' GLN . 33.7 m -128.82 156.74 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 108.281 -1.007 . . . . 51.32 108.281 178.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.0 m -86.8 -62.67 1.45 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 109.117 -0.697 . . . . 63.399999999999999 109.117 176.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -95.39 169.22 10.21 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.051 1.13 . . . . 75.299999999999997 114.051 -167.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.546 ' HA ' HD22 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -59.23 -54.3 48.49 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 112.264 -2.244 . . . . 64.239999999999995 112.225 -175.445 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.38 -32.3 71.18 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.514 0.726 . . . . 72.349999999999994 111.957 -175.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.684 ' HA ' ' HE2' ' A' ' 115' ' ' LYS . 44.6 mt-10 -70.66 -33.44 70.96 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 123.569 0.748 . . . . 73.019999999999996 111.238 -176.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -69.07 -40.0 78.74 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.805 -0.634 . . . . 75.120000000000005 110.183 174.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.403 HD11 ' HE2' ' A' ' 17' ' ' LYS . 97.9 mt -64.32 -33.58 76.16 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.277 0.631 . . . . 65.450000000000003 110.93 -178.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.684 ' HE2' ' HA ' ' A' ' 112' ' ' GLU . 51.3 mtmt -57.96 -59.0 5.93 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 123.906 0.754 . . . . 75.040000000000006 110.093 175.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 44.8 mt -70.76 -25.63 26.65 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 123.845 0.858 . . . . 44.210000000000001 111.769 -170.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 113' ' ' ALA . 43.8 t -59.36 -51.78 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.207 0.603 . . . . 50.530000000000001 109.518 169.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -70.0 -38.66 76.05 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.738 -0.664 . . . . 73.129999999999995 111.3 -178.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.48 -33.37 75.73 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.262 0.625 . . . . 71.510000000000005 111.708 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.454 ' HA ' ' HB2' ' A' ' 123' ' ' LYS . 91.0 t80 -64.47 -30.36 71.39 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.563 0.345 . . . . 75.540000000000006 110.557 176.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.493 ' HA ' ' OH ' ' A' ' 27' ' ' TYR . 21.9 mmt -58.44 -31.25 67.58 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 123.563 0.539 . . . . 54.439999999999998 111.624 -178.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -100.11 -21.23 15.65 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 123.253 0.621 . . . . 74.230000000000004 112.035 175.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.454 ' HB2' ' HA ' ' A' ' 120' ' ' PHE . 71.0 mmtt -63.47 -54.86 29.82 Favored 'General case' 0 N--CA 1.501 2.099 0 CA-C-N 118.323 0.51 . . . . 54.130000000000003 110.578 175.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 120' ' ' PHE . . . -68.37 -37.54 80.54 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.093 -0.958 . . . . 64.340000000000003 111.507 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.25 -21.98 68.76 Favored Glycine 0 C--N 1.35 1.326 0 CA-C-N 114.788 -1.096 . . . . 42.329999999999998 113.0 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.3 t -95.33 -40.74 9.37 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.615 0.766 . . . . 74.329999999999998 110.587 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 28.9 tp 57.72 46.59 17.02 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-O 122.775 1.274 . . . . 73.409999999999997 108.86 -167.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.47 13.06 1.04 Allowed 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 115.306 1.595 . . . . 72.129999999999995 115.306 -164.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -64.31 -46.16 84.79 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 107.622 -1.251 . . . . 71.129999999999995 107.622 165.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -168.24 118.07 0.77 Allowed 'General case' 0 C--O 1.24 0.59 0 C-N-CA 125.756 1.622 . . . . 65.239999999999995 106.677 161.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -60.69 -36.78 79.62 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 124.053 0.845 . . . . 70.349999999999994 110.026 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -72.59 76.78 1.08 Allowed 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 107.989 -1.115 . . . . 64.150000000000006 107.989 166.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -90.77 85.24 5.98 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 114.816 -1.084 . . . . 74.019999999999996 108.994 -175.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 12.5 p80 . . . . . 0 CA--C 1.561 1.368 0 CA-C-N 114.48 -1.236 . . . . 73.120000000000005 110.179 -176.413 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.1 ptm . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 119.138 -0.458 . . . . 74.519999999999996 110.979 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -179.19 106.66 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 108.944 -0.761 . . . . 63.439999999999998 108.944 -172.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.447 ' HG3' ' HB3' ' A' ' 77' ' ' LYS . 3.2 mp0 -110.98 124.93 53.11 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 108.287 -1.005 . . . . 75.019999999999996 108.287 172.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.426 HD11 HD22 ' A' ' 45' ' ' LEU . 3.8 mm? -105.66 130.45 53.68 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 109.816 -0.439 . . . . 45.409999999999997 109.816 -174.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.0 tt -117.34 115.32 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.571 -0.899 . . . . 50.439999999999998 108.571 178.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 mp -104.91 121.11 43.02 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.467 -0.938 . . . . 72.040000000000006 108.467 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.583 HG21 HD13 ' A' ' 18' ' ' ILE . 2.1 mp -99.72 129.74 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 108.735 -0.839 . . . . 61.329999999999998 108.735 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.634 ' HB2' HD11 ' A' ' 64' ' ' LEU . 4.4 t-20 -110.7 114.23 27.45 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 108.406 -0.961 . . . . 75.319999999999993 108.406 173.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.462 HG22 HG22 ' A' ' 7' ' ' ILE . 1.5 t -145.89 132.1 19.46 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.688 0.795 . . . . 71.510000000000005 109.937 -178.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -102.5 15.31 29.6 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.337 0.655 . . . . 61.310000000000002 111.55 175.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.458 ' O ' HG13 ' A' ' 15' ' ' ILE . 39.2 t30 -113.9 109.32 18.32 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 109.115 -0.698 . . . . 75.329999999999998 109.115 174.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -52.21 -42.52 63.6 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.891 1.276 . . . . 71.129999999999995 111.54 177.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -63.36 -39.56 94.88 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 115.128 -0.942 . . . . 64.219999999999999 111.361 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.3 tp -69.13 -37.75 78.49 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 119.057 -0.497 . . . . 73.349999999999994 110.417 177.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.524 HG22 ' HE3' ' A' ' 19' ' ' LYS . 24.9 mt -57.42 -40.0 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 123.623 0.577 . . . . 62.219999999999999 109.909 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -62.3 -47.05 86.02 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 115.415 -0.811 . . . . 74.239999999999995 111.105 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -66.36 -36.47 82.97 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.646 0.778 . . . . 64.530000000000001 111.354 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.583 HD13 HG21 ' A' ' 7' ' ' ILE . 87.6 mt -62.76 -51.02 77.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 CA-C-N 115.052 -0.977 . . . . 74.310000000000002 108.964 175.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.614 ' HE2' HG11 ' A' ' 29' ' ' VAL . 91.0 mttt -58.21 -33.3 69.15 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.365 0.666 . . . . 54.32 111.984 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 10.3 mmpt? -62.12 -48.01 82.04 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.573 0.545 . . . . 71.019999999999996 109.998 174.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 50.8 mm-40 -60.36 -47.06 87.69 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 123.961 0.788 . . . . 75.430000000000007 111.973 175.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 18' ' ' ILE . 44.8 t -58.91 -36.53 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 123.681 0.792 . . . . 70.010000000000005 110.676 -176.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.94 -44.81 79.65 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.256 -0.883 . . . . 72.349999999999994 111.134 174.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -61.55 -30.77 70.86 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 123.757 0.823 . . . . 72.319999999999993 110.966 177.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 73.7 mm-40 -84.34 -25.42 29.22 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.902 0.881 . . . . 73.150000000000006 110.414 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.15 26.34 19.07 Favored Glycine 0 C--N 1.354 1.54 0 C-N-CA 123.106 0.384 . . . . 55.340000000000003 113.662 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -106.24 159.1 16.37 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.98 0.912 . . . . 72.219999999999999 110.047 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -95.04 128.72 42.08 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.71 0.804 . . . . 61.329999999999998 109.58 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.614 HG11 ' HE2' ' A' ' 19' ' ' LYS . 25.5 t -86.91 124.51 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.195 0.598 . . . . 62.329999999999998 109.602 175.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -124.26 111.55 15.97 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 108.35 -0.981 . . . . 72.409999999999997 108.35 170.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -86.4 147.05 26.19 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.32 1.048 . . . . 71.450000000000003 111.351 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.466 HG12 HD13 ' A' ' 63' ' ' LEU . 94.1 t -132.79 121.4 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.339 1.056 . . . . 61.039999999999999 108.819 177.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -132.52 7.73 4.18 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.48 0.712 . . . . 72.209999999999994 110.352 173.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.477 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 10.4 t70 -144.95 148.56 33.95 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.962 0.505 . . . . 51.409999999999997 109.842 -177.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.497 ' HA ' HD23 ' A' ' 38' ' ' LEU . 19.6 p -73.9 -17.37 61.04 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.742 0.817 . . . . 75.540000000000006 112.868 -175.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 13.7 t70 -77.49 -41.8 38.06 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.351 0.66 . . . . 63.240000000000002 109.731 173.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.477 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 14.1 mm-40 -59.23 -43.47 92.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.684 0.793 . . . . 72.329999999999998 112.236 -175.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 35' ' ' SER . 3.2 pp -61.61 -41.98 98.23 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 123.938 0.774 . . . . 75.310000000000002 112.12 -168.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 18.9 ptpt -65.37 -35.52 81.22 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.406 0.441 . . . . 75.230000000000004 110.555 -176.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 44.5 mtpt -70.91 -36.55 72.74 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.585 1.154 . . . . 51.039999999999999 110.79 -178.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -68.66 -41.0 79.94 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.659 0.6 . . . . 73.129999999999995 109.81 176.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.513 ' SD ' HG13 ' A' ' 71' ' ' ILE . 31.6 mmt -62.76 -38.7 91.61 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.339 0.656 . . . . 60.149999999999999 110.896 177.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -65.94 -38.2 88.01 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.352 -0.386 . . . . 72.230000000000004 110.839 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 46.6 mmtm -60.25 -32.85 71.54 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 123.268 0.627 . . . . 62.039999999999999 112.326 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.426 HD22 HD11 ' A' ' 4' ' ' LEU . 23.2 mt -62.34 -33.47 74.76 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.986 0.804 . . . . 73.420000000000002 110.285 175.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.54 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -93.17 -23.39 18.59 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.911 1.284 . . . . 64.040000000000006 112.737 -177.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -63.58 -55.69 21.78 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 118.059 0.391 . . . . 60.409999999999997 111.125 -173.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.18 156.73 21.93 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 122.889 0.475 . . . . 72.129999999999995 110.635 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -103.24 -41.36 6.08 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.703 0.801 . . . . 63.530000000000001 112.544 -175.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -126.21 86.55 2.54 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.976 0.51 . . . . 75.310000000000002 110.584 -169.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -162.36 163.26 27.96 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-N 115.205 -0.907 . . . . 70.239999999999995 109.239 -178.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.22 178.73 5.56 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.665 0.745 . . . . 63.200000000000003 111.474 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.44 ' HD2' ' HB2' ' A' ' 3' ' ' GLU . 17.3 pttt -89.37 150.54 22.5 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 114.854 -1.066 . . . . 74.329999999999998 111.919 -176.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.8 mp -105.31 138.26 31.1 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-N 114.668 -1.151 . . . . 73.030000000000001 109.398 -173.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.45 HD13 HG22 ' A' ' 22' ' ' VAL . 6.5 tt -90.8 121.22 32.48 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.983 -0.747 . . . . 65.450000000000003 108.983 172.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.2 mm -98.63 137.82 25.01 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 123.802 0.841 . . . . 61.32 108.762 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.1 mt -119.53 134.01 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 N-CA-C 107.271 -1.381 . . . . 72.430000000000007 107.271 166.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.9 t -133.07 143.97 49.69 Favored 'General case' 0 C--O 1.243 0.735 0 C-N-CA 123.271 0.629 . . . . 52.149999999999999 110.018 177.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -77.77 -33.29 52.78 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.061 0.944 . . . . 74.099999999999994 111.238 -177.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -121.16 151.61 39.72 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.518 0.727 . . . . 51.350000000000001 111.743 -168.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.419 ' HA ' HD12 ' A' ' 64' ' ' LEU . 61.2 mttp -80.03 -34.12 38.6 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.451 1.101 . . . . 73.409999999999997 112.89 -174.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.53 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 49.8 mt-30 -64.77 -33.08 75.12 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 110.023 -0.362 . . . . 73.340000000000003 110.023 178.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.466 HD13 HG12 ' A' ' 32' ' ' VAL . 68.6 mt -68.15 -38.97 82.72 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 123.983 0.802 . . . . 74.519999999999996 110.721 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.634 HD11 ' HB2' ' A' ' 8' ' ' ASN . 89.1 mt -55.32 -56.35 21.12 Favored 'General case' 0 C--N 1.36 1.047 0 O-C-N 124.313 1.008 . . . . 64.319999999999993 110.539 178.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -58.97 -39.49 81.89 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 124.48 1.113 . . . . 51.409999999999997 111.71 -172.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 16.1 mm-40 -56.54 -49.92 73.4 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 124.228 0.955 . . . . 73.319999999999993 110.901 173.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 74.7 mtm -63.42 -40.43 97.15 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.762 -0.653 . . . . 53.409999999999997 111.677 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.566 HD11 HD22 ' A' ' 80' ' ' LEU . 60.7 mt -57.47 -45.22 85.04 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.353 0.661 . . . . 72.439999999999998 111.707 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -76.55 -29.52 56.73 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.629 -0.714 . . . . 75.400000000000006 111.127 -177.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.573 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 81.0 mt -70.31 -42.98 71.27 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 123.099 0.249 . . . . 75.519999999999996 111.016 174.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.513 HG13 ' SD ' ' A' ' 42' ' ' MET . 71.4 mt -64.57 -33.11 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 C-N-CA 123.674 0.79 . . . . 54.240000000000002 110.155 176.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.1 t -67.76 -41.2 83.68 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.058 -0.974 . . . . 54.509999999999998 111.018 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 14.6 ptmm? -77.43 -24.65 50.35 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 116.857 -0.156 . . . . 70.219999999999999 110.914 177.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 98.2 mt -66.93 -28.42 68.28 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 122.808 0.443 . . . . 74.219999999999999 109.872 170.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.78 23.28 21.27 Favored Glycine 0 C--N 1.348 1.205 0 CA-C-N 115.512 -0.767 . . . . 14.119999999999999 113.212 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -100.46 170.51 8.35 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.672 0.789 . . . . 72.120000000000005 111.068 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.564 ' HE3' HD11 ' A' ' 127' ' ' LEU . 11.6 ttmm -69.25 128.45 36.64 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 109.577 -0.527 . . . . 70.129999999999995 109.577 170.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.3 t -100.4 108.36 22.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.658 0 CA-C-N 115.061 -0.972 . . . . 53.219999999999999 109.101 174.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -115.12 137.09 52.41 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 108.01 -1.107 . . . . 55.340000000000003 108.01 172.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.576 HD11 HD13 ' A' ' 64' ' ' LEU . 57.3 tp -131.03 149.27 52.69 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.424 1.09 . . . . 73.329999999999998 108.769 -178.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.556 HD23 HG13 ' A' ' 7' ' ' ILE . 41.0 tp -138.6 135.24 34.74 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.461 -1.681 . . . . 73.430000000000007 106.461 176.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.562 HD13 ' HB3' ' A' ' 90' ' ' LEU . 0.6 OUTLIER -136.55 142.23 43.4 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 122.79 0.436 . . . . 74.299999999999997 110.778 175.281 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.78 146.6 34.41 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 124.353 1.061 . . . . 75.200000000000003 109.069 178.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -157.51 165.54 35.35 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 125.239 1.416 . . . . 75.439999999999998 107.677 167.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -75.45 -17.07 60.25 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.877 -0.601 . . . . 73.219999999999999 109.725 168.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -104.02 109.09 20.73 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.269 1.028 . . . . 74.200000000000003 108.499 171.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -75.01 -21.66 58.97 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.796 0.838 . . . . 60.409999999999997 111.958 -175.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -75.46 -28.08 59.15 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.633 0.373 . . . . 74.510000000000005 111.418 -176.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -59.06 -36.04 74.37 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.565 0.697 . . . . 63.549999999999997 111.019 170.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.562 ' HB3' HD13 ' A' ' 82' ' ' LEU . 79.2 mt -75.32 -50.22 16.68 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 114.328 -1.306 . . . . 62.140000000000001 111.594 -172.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -73.49 -27.67 61.51 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.315 0.858 . . . . 72.049999999999997 113.315 -170.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.68 -39.62 73.4 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 118.024 0.374 . . . . 71.0 110.783 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.488 ' O ' HG12 ' A' ' 97' ' ' ILE . 57.1 t80 -73.79 -42.18 61.35 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.698 0.399 . . . . 64.510000000000005 110.167 174.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.447 ' HD2' ' HB2' ' A' ' 106' ' ' LYS . 62.3 tttp -60.3 -44.8 95.1 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.695 0.798 . . . . 64.140000000000001 111.578 -175.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -62.09 -27.96 69.28 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 123.643 0.589 . . . . 71.530000000000001 111.795 -178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -71.75 -42.53 67.1 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.216 0.606 . . . . 54.140000000000001 109.963 174.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 93' ' ' PHE . 30.6 mm -69.6 -30.35 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 C-N-CA 123.76 0.824 . . . . 70.420000000000002 110.834 -178.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 56.2 mm-40 -57.87 -47.43 82.77 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.354 0.662 . . . . 65.319999999999993 110.372 168.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.9 m -69.36 -31.09 69.29 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.971 0.908 . . . . 61.310000000000002 111.715 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -73.73 -23.54 59.78 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.421 0.688 . . . . 55.340000000000003 110.007 173.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.27 44.74 6.12 Favored Glycine 0 C--N 1.349 1.253 0 CA-C-N 115.826 -0.625 . . . . 74.140000000000001 112.859 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -117.75 142.61 47.07 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.583 0.753 . . . . 40.549999999999997 109.82 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -78.91 88.53 4.71 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.087 0.955 . . . . 63.240000000000002 110.894 -174.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 p -105.73 140.19 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.628 0.771 . . . . 64.340000000000003 111.129 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -111.6 136.4 50.85 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.658 0.783 . . . . 74.25 109.48 175.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 82' ' ' LEU . 29.9 ttmt -102.17 128.95 48.45 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.261 0.625 . . . . 75.400000000000006 109.366 175.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.426 ' HB ' ' HB2' ' A' ' 112' ' ' GLU . 34.3 m -136.02 144.57 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 109.316 -0.624 . . . . 62.439999999999998 109.316 175.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.0 m -102.3 -37.62 7.99 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.738 0.815 . . . . 73.219999999999999 110.086 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -100.17 155.68 17.62 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.047 -0.978 . . . . 53.130000000000003 111.406 -171.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -48.59 -54.33 14.97 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.847 1.659 . . . . 73.450000000000003 111.762 170.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 11.2 pt-20 -56.93 -42.61 80.31 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 124.324 1.015 . . . . 74.140000000000001 111.464 -174.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.482 ' O ' HG12 ' A' ' 116' ' ' ILE . 45.5 mt-10 -66.33 -39.09 89.01 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 123.985 0.803 . . . . 63.439999999999998 110.69 -175.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.19 -42.29 96.73 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.755 0.659 . . . . 72.349999999999994 111.104 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.45 -36.03 82.85 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.782 0.833 . . . . 75.340000000000003 110.557 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 98.0 mttt -65.84 -45.8 80.88 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 115.205 -0.907 . . . . 63.229999999999997 110.615 177.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 112' ' ' GLU . 50.6 mm -65.66 -32.92 60.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 C-N-CA 122.899 0.48 . . . . 71.299999999999997 111.74 -175.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.505 ' O ' ' HG2' ' A' ' 121' ' ' MET . 85.3 t -53.44 -51.49 41.09 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 O-C-N 123.621 0.575 . . . . 72.150000000000006 109.474 170.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -69.72 -40.64 76.11 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.105 0.962 . . . . 71.340000000000003 111.555 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 47.8 mm-40 -56.72 -42.03 78.46 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.313 1.045 . . . . 63.039999999999999 111.239 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -63.04 -41.73 99.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.507 0.723 . . . . 63.219999999999999 111.156 176.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 14.8 mmt -64.55 -24.26 67.54 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 112.37 0.507 . . . . 74.329999999999998 112.37 -171.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -91.25 -54.48 3.91 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 109.577 -0.527 . . . . 70.409999999999997 109.577 168.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -60.02 -29.8 68.74 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 123.878 0.871 . . . . 73.439999999999998 112.927 -166.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.03 -40.9 97.33 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.707 0.803 . . . . 63.229999999999997 111.246 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -101.11 -6.95 50.93 Favored Glycine 0 C--N 1.348 1.237 0 CA-C-N 115.653 -0.703 . . . . 71.140000000000001 113.097 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 49.9 m -103.44 16.71 25.8 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.874 0.87 . . . . 74.019999999999996 111.565 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.564 HD11 ' HE3' ' A' ' 77' ' ' LYS . 84.1 mt -67.19 123.56 20.63 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.16 -1.052 . . . . 70.340000000000003 108.16 166.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -54.5 141.42 31.15 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.837 0.855 . . . . 62.140000000000001 111.291 -177.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -65.65 82.89 0.06 Allowed 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 108.268 -1.012 . . . . 71.329999999999998 108.268 173.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -176.13 -28.88 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 114.482 -1.236 . . . . 70.540000000000006 109.649 -160.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -62.94 141.11 58.85 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.086 0.554 . . . . 64.409999999999997 110.41 172.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -81.18 142.01 33.64 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.405 0.682 . . . . 71.400000000000006 112.193 -173.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -138.61 3.63 2.31 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.973 0.909 . . . . 72.209999999999994 109.881 165.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 . . . . . 0 C--O 1.25 1.129 0 N-CA-C 109.13 -0.693 . . . . 75.129999999999995 109.13 177.277 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 mmt . . . . . 0 N--CA 1.473 0.683 0 N-CA-C 109.121 -0.696 . . . . 71.340000000000003 109.121 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -130.11 102.53 6.29 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 106.171 -1.789 . . . . 71.549999999999997 106.171 173.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 2.2 mp0 -89.04 136.97 32.73 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.429 -0.805 . . . . 53.229999999999997 110.472 -172.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.497 ' HB2' HG21 ' A' ' 71' ' ' ILE . 4.5 mm? -118.84 111.37 18.34 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 106.548 -1.649 . . . . 61.420000000000002 106.548 174.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.417 HG13 ' HD1' ' A' ' 79' ' ' PHE . 3.2 tt -105.5 120.13 55.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.865 0.866 . . . . 52.43 108.759 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mp -101.63 123.6 45.89 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.408 -0.96 . . . . 75.340000000000003 108.408 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.432 HG21 HD13 ' A' ' 18' ' ' ILE . 2.3 mp -100.8 119.15 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 108.577 -0.898 . . . . 54.229999999999997 108.577 177.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.487 ' HB2' HD11 ' A' ' 64' ' ' LEU . 4.8 t-20 -96.21 118.61 33.13 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 107.2 -1.407 . . . . 71.409999999999997 107.2 169.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.447 HG23 HG12 ' A' ' 15' ' ' ILE . 1.8 t -144.44 136.65 26.33 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.279 0.632 . . . . 64.120000000000005 109.575 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -96.54 -11.3 25.63 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 114.962 -1.017 . . . . 75.239999999999995 110.839 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.407 ' O ' HG13 ' A' ' 15' ' ' ILE . 56.0 t30 -97.96 114.68 26.87 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.052 0.941 . . . . 70.329999999999998 109.847 -172.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.79 -43.79 92.07 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.641 1.176 . . . . 75.310000000000002 112.431 -170.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 9.0 pt-20 -63.37 -37.86 88.92 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.886 -0.597 . . . . 73.140000000000001 110.519 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' HG13 ' A' ' 18' ' ' ILE . 47.4 tp -63.34 -42.47 98.95 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 123.82 0.7 . . . . 75.129999999999995 110.352 178.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.599 HG23 HG21 ' A' ' 57' ' ' ILE . 50.1 mt -53.23 -49.95 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 123.307 0.643 . . . . 74.319999999999993 110.222 177.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 59.9 mttp -59.68 -46.6 88.57 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.856 -1.065 . . . . 75.299999999999997 111.468 -178.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 60.3 mtpt -63.43 -40.9 98.42 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.008 -0.996 . . . . 60.530000000000001 111.176 -176.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.534 ' O ' HG23 ' A' ' 22' ' ' VAL . 80.9 mt -61.33 -49.09 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 123.865 0.728 . . . . 64.120000000000005 109.141 176.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HE3' HG22 ' A' ' 15' ' ' ILE . 98.8 mttt -50.61 -46.91 58.3 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 123.915 0.759 . . . . 71.329999999999998 111.109 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 10.1 mmpt? -62.06 -46.37 89.44 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.541 0.736 . . . . 73.439999999999998 111.275 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 13.1 mm-40 -61.37 -44.18 97.61 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.391 0.676 . . . . 70.150000000000006 111.542 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 18' ' ' ILE . 78.9 t -68.26 -33.65 61.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 C-N-CA 124.291 1.036 . . . . 43.119999999999997 111.15 -177.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -68.97 -37.09 78.59 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.391 0.676 . . . . 73.430000000000007 110.558 174.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -63.32 -38.03 89.59 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.312 0.645 . . . . 41.539999999999999 110.338 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 13.9 mm-40 -80.79 -14.3 58.2 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 115.18 -0.918 . . . . 74.510000000000005 111.474 -179.05 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.17 28.7 33.03 Favored Glycine 0 C--N 1.353 1.475 0 N-CA-C 114.199 0.44 . . . . 73.329999999999998 114.199 172.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 1.4 m-85 -96.26 159.75 14.79 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.163 0.585 . . . . 74.409999999999997 109.457 175.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.428 HE21 HG13 ' A' ' 54' ' ' ILE . 1.1 mp0 -79.82 114.1 18.48 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.377 -0.972 . . . . 72.310000000000002 108.377 177.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.77 104.78 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 109.438 -0.579 . . . . 72.200000000000003 109.438 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -100.89 129.71 46.79 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 107.51 -1.293 . . . . 62.229999999999997 107.51 169.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -122.56 115.89 22.93 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.638 0.732 . . . . 54.119999999999997 109.745 176.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.617 HG11 ' HB3' ' A' ' 38' ' ' LEU . 87.5 t -109.51 120.83 61.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 125.133 1.373 . . . . 70.299999999999997 108.304 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -103.12 -19.64 14.46 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.094 0.557 . . . . 74.349999999999994 109.814 176.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -150.57 154.46 37.6 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.238 1.015 . . . . 61.240000000000002 110.068 -175.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.8 p -65.62 -17.48 64.62 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 113.757 1.021 . . . . 70.329999999999998 113.757 -173.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.434 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 26.7 t70 -69.76 -22.72 63.33 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.995 0.518 . . . . 65.200000000000003 110.614 177.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' HB2' HG13 ' A' ' 32' ' ' VAL . 40.4 mt-10 -83.45 -46.42 12.52 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 124.183 0.993 . . . . 61.109999999999999 111.608 177.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.617 ' HB3' HG11 ' A' ' 32' ' ' VAL . 3.8 pp -65.59 -34.75 78.96 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 123.062 0.226 . . . . 52.210000000000001 111.495 -172.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 18.7 ptpt -60.6 -27.92 68.1 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.656 0.382 . . . . 73.120000000000005 111.667 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -83.07 -48.57 10.45 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.172 0.989 . . . . 71.040000000000006 111.248 -177.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.59 -24.71 38.96 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.92 -0.582 . . . . 71.439999999999998 111.573 -173.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.7 mmt -63.08 -33.91 76.47 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.397 0.679 . . . . 51.450000000000003 111.606 171.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 66.2 mttm -58.19 -50.45 73.49 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.748 -0.834 . . . . 63.43 108.748 171.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -63.66 -34.18 77.28 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 115.018 -0.992 . . . . 73.510000000000005 112.268 -177.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.0 mt -65.14 -36.71 85.1 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.061 0.544 . . . . 71.400000000000006 111.08 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.78 -39.89 26.03 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.598 0.759 . . . . 71.099999999999994 111.319 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 30.3 mm-40 -66.31 -55.64 15.03 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.766 0.826 . . . . 75.299999999999997 110.147 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -73.61 86.61 1.62 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 107.502 -1.296 . . . . 64.200000000000003 107.502 174.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -82.74 -62.04 1.71 Allowed 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.28 -0.873 . . . . 71.430000000000007 108.879 -174.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -86.37 94.83 9.47 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.826 -1.079 . . . . 64.129999999999995 110.222 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.498 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -172.46 -179.52 2.24 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.925 1.29 . . . . 72.439999999999998 108.736 165.815 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.27 164.97 12.38 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.461 0.648 . . . . 72.230000000000004 111.894 179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 32.0 pttt -81.92 159.85 23.54 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.007 -0.997 . . . . 70.239999999999995 112.165 -172.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.498 HD11 ' CZ ' ' A' ' 51' ' ' PHE . 4.1 mp -120.31 149.0 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 114.527 -1.215 . . . . 53.530000000000001 109.257 -166.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.497 HD22 HG21 ' A' ' 22' ' ' VAL . 5.8 tt -112.92 122.9 49.02 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.972 0.909 . . . . 73.209999999999994 108.953 174.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.2 mm -99.03 136.8 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 N-CA-C 108.121 -1.066 . . . . 53.450000000000003 108.121 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.599 HG21 HG23 ' A' ' 15' ' ' ILE . 67.1 mt -116.47 122.45 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 106.175 -1.787 . . . . 73.109999999999999 106.175 166.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 27.7 t -128.2 116.63 20.19 Favored 'General case' 0 C--O 1.242 0.671 0 N-CA-C 108.957 -0.757 . . . . 74.129999999999995 108.957 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -65.74 -55.93 14.7 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.82 -1.082 . . . . 74.409999999999997 110.532 -178.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.49 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 10.5 t70 -83.5 145.29 29.0 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 115.903 -0.59 . . . . 64.239999999999995 109.766 -174.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -88.37 -22.65 23.69 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.654 0.983 . . . . 75.239999999999995 113.654 -167.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -68.36 -27.67 66.45 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 109.373 -0.603 . . . . 72.530000000000001 109.373 175.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.492 HD13 HG12 ' A' ' 32' ' ' VAL . 21.7 mt -68.61 -44.16 74.87 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 114.834 -1.076 . . . . 64.209999999999994 109.59 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 8' ' ' ASN . 68.1 mt -53.31 -59.79 4.12 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.874 1.358 . . . . 62.009999999999998 110.221 177.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -49.25 -46.98 46.83 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 124.511 1.132 . . . . 55.350000000000001 111.935 -175.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -63.0 -54.03 44.74 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.597 -0.729 . . . . 74.420000000000002 112.107 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 77.1 mtm -65.88 -40.72 91.87 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.202 0.601 . . . . 71.219999999999999 112.516 -172.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 63.9 mt -49.37 -43.56 44.12 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.262 1.025 . . . . 73.230000000000004 111.21 175.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -83.3 -27.22 29.96 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 115.237 -0.892 . . . . 54.0 112.131 -176.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 94.8 mt -63.79 -51.32 65.33 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.178 0.591 . . . . 72.530000000000001 110.277 172.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.497 HG21 ' HB2' ' A' ' 4' ' ' LEU . 75.4 mt -60.86 -36.27 70.47 Favored 'Isoleucine or valine' 0 C--O 1.247 0.969 0 C-N-CA 124.953 1.301 . . . . 73.129999999999995 111.189 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -62.79 -45.62 91.81 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 115.478 -0.783 . . . . 72.530000000000001 110.747 177.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -12.64 57.52 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.807 0.443 . . . . 63.32 111.881 -179.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 93.0 mt -71.05 -32.41 69.1 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 108.632 -0.877 . . . . 64.329999999999998 108.632 165.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.6 9.99 34.22 Favored Glycine 0 C--N 1.341 0.842 0 CA-C-N 115.006 -0.997 . . . . 75.040000000000006 112.218 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.479 ' HB2' HG23 ' A' ' 71' ' ' ILE . 16.4 m-85 -88.38 152.0 22.21 Favored 'General case' 0 C--O 1.245 0.825 0 C-N-CA 123.619 0.768 . . . . 71.340000000000003 109.536 176.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -73.18 137.42 45.06 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.294 -0.632 . . . . 71.340000000000003 109.294 175.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.1 t -107.42 134.78 48.15 Favored 'Isoleucine or valine' 0 C--O 1.244 0.799 0 C-N-CA 124.122 0.969 . . . . 63.109999999999999 109.933 -178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.417 ' HD1' HG13 ' A' ' 5' ' ' ILE . 56.1 t80 -134.09 146.69 50.52 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 107.432 -1.322 . . . . 63.509999999999998 107.432 170.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 55.6 tp -129.79 140.76 50.98 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 108.481 -0.933 . . . . 65.230000000000004 108.481 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.3 tp -136.79 112.88 9.73 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 106.429 -1.693 . . . . 74.549999999999997 106.429 174.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -119.72 151.03 39.41 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.212 0.605 . . . . 64.510000000000005 111.349 -172.67 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.486 ' HA ' HD21 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -145.89 109.53 4.78 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 107.808 -1.182 . . . . 72.129999999999995 107.808 172.607 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -104.08 154.35 19.82 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 108.228 -1.027 . . . . 72.420000000000002 108.228 169.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -70.56 -30.47 67.19 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.909 -0.587 . . . . 74.349999999999994 109.489 169.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -89.39 105.3 17.7 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.652 0.781 . . . . 65.209999999999994 109.236 173.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.486 ' HA ' HD13 ' A' ' 90' ' ' LEU . 10.5 tp10 -62.59 -29.89 70.93 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.458 0.703 . . . . 52.520000000000003 112.019 -178.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -60.37 -23.62 64.45 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.934 -1.03 . . . . 74.239999999999995 112.549 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -79.14 -38.97 34.76 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 112.522 0.564 . . . . 74.439999999999998 112.522 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.486 HD21 ' HA ' ' A' ' 83' ' ' GLN . 5.6 mp -62.9 -46.54 87.36 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 123.195 0.309 . . . . 64.150000000000006 111.174 -173.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.2 -41.86 97.58 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.766 0.826 . . . . 63.5 112.149 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -77.55 -36.52 52.18 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.006 0.522 . . . . 75.549999999999997 111.446 -175.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 97' ' ' ILE . 1.9 t80 -69.5 -40.47 76.99 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 109.065 -0.717 . . . . 73.340000000000003 109.065 175.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.64 ' HD3' ' HD2' ' A' ' 106' ' ' LYS . 23.0 mtpt -58.93 -52.88 63.87 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.41 0.684 . . . . 73.239999999999995 112.514 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -56.99 -26.51 60.23 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 123.496 0.498 . . . . 74.409999999999997 111.681 -173.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 32.8 mmtp -79.24 -50.25 11.23 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.596 0.758 . . . . 52.109999999999999 110.891 176.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 93' ' ' PHE . 38.3 mm -65.27 -39.55 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 123.939 0.896 . . . . 61.530000000000001 110.971 -175.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -53.47 -48.01 69.27 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.637 1.175 . . . . 72.409999999999997 111.75 168.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.1 t -70.37 -23.46 62.79 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 123.531 0.732 . . . . 72.230000000000004 111.259 -178.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.508 HE21 ' HA ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -75.67 -8.85 57.84 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.194 0.598 . . . . 73.439999999999998 111.456 174.695 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.07 25.58 24.05 Favored Glycine 0 C--N 1.344 0.994 0 CA-C-N 116.367 -0.379 . . . . 73.420000000000002 112.715 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.46 ' HB2' HG22 ' A' ' 97' ' ' ILE . 10.5 m-85 -113.13 158.0 20.94 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.755 -0.831 . . . . 74.409999999999997 108.755 174.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -109.26 131.54 54.97 Favored 'General case' 0 C--O 1.245 0.852 0 N-CA-C 108.766 -0.828 . . . . 54.210000000000001 108.766 175.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.569 HG13 ' HE3' ' A' ' 94' ' ' LYS . 1.5 p -134.79 133.11 54.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.268 -0.878 . . . . 65.049999999999997 110.558 -174.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -97.11 144.38 27.02 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 124.204 1.002 . . . . 64.129999999999995 109.918 171.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.64 ' HD2' ' HD3' ' A' ' 94' ' ' LYS . 14.4 ptmm? -117.25 141.63 48.06 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 124.019 0.928 . . . . 65.310000000000002 109.046 176.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.482 HG23 ' HB3' ' A' ' 83' ' ' GLN . 29.1 m -147.63 165.05 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 124.718 1.207 . . . . 61.530000000000001 109.38 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.7 m -116.95 -50.33 2.59 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.664 0.745 . . . . 70.120000000000005 109.473 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -94.08 160.29 14.78 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 114.346 -1.297 . . . . 65.230000000000004 110.49 -170.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -53.05 -53.64 47.27 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.451 1.5 . . . . 73.140000000000001 112.029 175.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -60.55 -36.76 79.22 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 123.943 0.777 . . . . 64.329999999999998 112.076 -173.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.47 -45.05 81.0 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.126 0.57 . . . . 64.0 109.997 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.44 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.04 -49.47 75.87 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.855 0.862 . . . . 75.099999999999994 111.788 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.8 mt -58.88 -45.02 91.17 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.207 1.003 . . . . 73.209999999999994 111.06 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 61.1 tttm -63.58 -44.94 92.6 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 114.476 -1.238 . . . . 62.130000000000003 110.169 -175.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 34.6 mt -72.89 -27.16 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.417 0.687 . . . . 75.140000000000001 112.564 -174.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 113' ' ' ALA . 73.9 t -54.18 -42.06 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 CA-C-O 121.4 0.619 . . . . 71.219999999999999 109.944 168.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -82.89 -37.21 24.58 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.461 1.105 . . . . 70.540000000000006 111.952 -178.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 24.9 mm-40 -57.73 -46.52 84.34 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.292 0.637 . . . . 61.130000000000003 109.552 176.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -43.94 -42.12 5.7 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 125.377 1.471 . . . . 73.219999999999999 112.322 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.9 mtt -62.5 -19.19 63.34 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 114.793 -1.094 . . . . 74.109999999999999 113.267 -172.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -100.24 -40.89 7.32 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 118.24 0.473 . . . . 73.329999999999998 110.421 164.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 75.3 mmtt -65.8 -22.77 66.59 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.576 1.151 . . . . 72.219999999999999 113.148 -168.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.431 ' HB1' ' HG2' ' A' ' 3' ' ' GLU . . . -74.65 8.38 2.4 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 114.187 1.181 . . . . 61.109999999999999 114.187 -169.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 90.16 -7.82 80.91 Favored Glycine 0 C--N 1.342 0.885 0 N-CA-C 111.491 -0.644 . . . . 53.329999999999998 111.491 -171.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.7 t -57.77 -46.69 84.2 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 123.933 0.893 . . . . 51.329999999999998 110.076 173.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.5 tt -108.37 84.04 1.87 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 106.565 -1.642 . . . . 75.510000000000005 106.565 170.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -100.97 122.23 43.14 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.781 0.832 . . . . 63.299999999999997 109.762 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -77.79 -26.37 49.65 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.369 0.668 . . . . 64.540000000000006 110.551 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -85.99 46.05 1.28 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.108 0.963 . . . . 64.230000000000004 109.279 170.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -55.06 113.33 1.31 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.237 1.415 . . . . 61.039999999999999 111.587 -173.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -68.44 92.15 0.43 Allowed 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.951 -0.759 . . . . 72.239999999999995 108.951 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -163.57 133.68 4.3 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 123.816 0.846 . . . . 72.439999999999998 109.046 -177.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 . . . . . 0 C--O 1.249 1.059 0 O-C-N 123.912 0.758 . . . . 74.150000000000006 109.549 177.843 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 109.32 -0.622 . . . . 54.310000000000002 109.32 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -85.11 155.16 21.61 Favored 'General case' 0 C--N 1.346 0.456 0 CA-C-O 121.75 0.786 . . . . 70.040000000000006 111.619 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.429 ' HG3' ' HB1' ' A' ' 124' ' ' ALA . 6.1 mm-40 -113.6 149.64 34.24 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-N 114.27 -1.332 . . . . 72.549999999999997 108.449 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.94 121.82 12.0 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.721 -0.474 . . . . 74.519999999999996 109.721 -176.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 tt -118.55 137.46 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 109.552 -0.536 . . . . 73.530000000000001 109.552 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.514 HD21 ' HB2' ' A' ' 67' ' ' MET . 4.6 mp -116.34 132.0 56.79 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 107.832 -1.174 . . . . 73.109999999999999 107.832 174.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.553 HG13 HD23 ' A' ' 81' ' ' LEU . 2.2 mp -110.92 135.48 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 107.94 -1.133 . . . . 64.5 107.94 174.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.571 ' HB2' HD11 ' A' ' 64' ' ' LEU . 27.0 t-20 -116.54 109.01 16.7 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 107.101 -1.444 . . . . 71.329999999999998 107.101 168.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.631 HG23 HG12 ' A' ' 15' ' ' ILE . 1.2 t -125.64 118.66 26.15 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.511 -0.922 . . . . 54.020000000000003 108.511 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -94.79 10.77 33.9 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.907 -1.042 . . . . 75.239999999999995 110.202 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.492 ' O ' HG13 ' A' ' 15' ' ' ILE . 59.3 t-20 -108.43 119.63 40.07 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.702 1.201 . . . . 65.530000000000001 108.909 178.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -55.28 -56.6 18.2 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.667 1.187 . . . . 72.329999999999998 112.181 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -64.27 -32.43 74.02 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 115.323 -0.853 . . . . 65.319999999999993 110.651 -175.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.6 HD13 ' HB3' ' A' ' 110' ' ' ASP . 53.7 tp -69.99 -38.94 76.16 Favored 'General case' 0 C--N 1.362 1.138 0 CA-C-O 118.489 -0.767 . . . . 72.310000000000002 110.953 -179.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.631 HG12 HG23 ' A' ' 9' ' ' THR . 40.0 mt -51.57 -47.76 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 N-CA-C 109.066 -0.716 . . . . 63.229999999999997 109.066 176.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 52.9 mttm -59.47 -50.89 72.16 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.334 -1.303 . . . . 72.0 110.786 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.561 ' HE2' HD11 ' A' ' 114' ' ' LEU . 57.7 mtpt -58.11 -45.15 87.74 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.349 1.059 . . . . 72.219999999999999 111.697 -176.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.594 ' O ' HG23 ' A' ' 22' ' ' VAL . 75.6 mt -58.84 -53.56 45.82 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 O-C-N 124.369 1.043 . . . . 62.399999999999999 109.292 178.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 53.6 mtmt -56.69 -37.23 70.58 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 124.053 0.846 . . . . 70.439999999999998 112.156 -177.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 14.6 mmmm -66.87 -38.74 86.9 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 123.688 0.617 . . . . 71.109999999999999 111.039 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 25.0 mm-40 -62.61 -46.6 87.51 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 123.452 0.47 . . . . 61.109999999999999 110.212 173.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.597 HG21 HD22 ' A' ' 55' ' ' LEU . 58.1 t -63.26 -36.6 76.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.643 1.177 . . . . 62.439999999999998 111.547 -174.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.09 -39.67 90.19 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.81 0.844 . . . . 74.030000000000001 110.441 174.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -67.97 -26.7 66.06 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.563 0.745 . . . . 64.129999999999995 111.385 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 10.2 mm-40 -91.78 -10.2 40.83 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.111 0.565 . . . . 74.150000000000006 111.283 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.4 18.1 63.02 Favored Glycine 0 C--N 1.353 1.514 0 N-CA-C 114.548 0.579 . . . . 61.420000000000002 114.548 172.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.493 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 2.4 m-85 -88.02 156.56 19.25 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.452 0.701 . . . . 64.219999999999999 110.215 178.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -78.72 115.43 18.41 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 109.214 -0.662 . . . . 64.209999999999994 109.214 175.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.2 t -85.77 117.27 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 122.782 0.433 . . . . 50.43 110.891 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.502 ' HB2' ' HA ' ' A' ' 56' ' ' ILE . 7.1 mpt_? -99.19 122.87 42.97 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.113 0.565 . . . . 75.430000000000007 109.515 169.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -93.31 114.19 26.58 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 106.657 -1.609 . . . . 62.210000000000001 106.657 155.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.477 HG12 HD13 ' A' ' 63' ' ' LEU . 84.0 t -116.4 118.01 57.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 107.282 -1.377 . . . . 72.230000000000004 107.282 173.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -117.09 -18.04 10.15 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.516 1.126 . . . . 75.230000000000004 108.574 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -132.49 152.25 51.61 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.202 1.001 . . . . 63.200000000000003 109.685 -172.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.8 p -66.1 -22.07 66.38 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.297 1.039 . . . . 71.150000000000006 112.957 -175.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.06 -37.25 69.69 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.234 0.613 . . . . 65.319999999999993 109.562 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -67.9 -37.27 81.51 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.154 -0.93 . . . . 61.020000000000003 111.771 -173.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.457 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.0 pp -71.74 -45.68 60.98 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 123.22 0.325 . . . . 74.109999999999999 110.639 -179.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 18.2 ptpt -70.18 -28.31 65.21 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 111.486 0.18 . . . . 72.540000000000006 111.486 -172.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -80.28 -30.75 38.35 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 122.636 0.375 . . . . 70.329999999999998 111.726 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -85.5 -24.26 27.42 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 117.831 0.287 . . . . 53.119999999999997 111.338 176.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.552 ' SD ' HD12 ' A' ' 45' ' ' LEU . 13.7 mmt -65.31 -21.61 66.73 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.283 0.633 . . . . 73.040000000000006 110.997 171.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 95.7 mttt -69.2 -39.89 78.36 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.549 0.74 . . . . 63.009999999999998 110.979 172.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -56.16 -40.82 74.45 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.438 0.695 . . . . 64.239999999999995 110.273 174.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.552 HD12 ' SD ' ' A' ' 42' ' ' MET . 61.1 mt -68.66 -44.44 74.08 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.292 -1.322 . . . . 64.129999999999995 110.519 177.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.65 -28.25 68.96 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.643 0.777 . . . . 65.219999999999999 112.328 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -81.1 -53.26 6.55 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.872 0.469 . . . . 41.439999999999998 111.5 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -89.43 137.06 32.66 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.922 0.489 . . . . 71.219999999999999 110.773 -174.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -74.46 -64.75 0.96 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.003 0.814 . . . . 75.420000000000002 112.308 -168.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -147.48 95.14 2.48 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.255 -0.646 . . . . 74.409999999999997 109.255 -176.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -122.29 -176.19 3.3 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.203 -1.036 . . . . 73.430000000000007 108.203 171.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -52.12 140.28 21.24 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.545 0.738 . . . . 73.219999999999999 111.864 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 148.52 47.74 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.304 0.573 . . . . 64.549999999999997 111.421 -176.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 54' ' ' ILE . 3.4 mp -109.99 146.46 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 114.648 -1.16 . . . . 54.219999999999999 109.089 -169.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.597 HD22 HG21 ' A' ' 22' ' ' VAL . 6.4 tt -113.13 118.46 34.78 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.613 -0.884 . . . . 65.549999999999997 108.613 175.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.502 ' HA ' ' HB2' ' A' ' 30' ' ' ARG . 20.0 mm -97.92 137.14 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 108.211 -1.033 . . . . 74.239999999999995 108.211 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.474 HG21 HG23 ' A' ' 15' ' ' ILE . 61.1 mt -116.57 133.43 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 107.339 -1.356 . . . . 71.150000000000006 107.339 165.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.1 t -137.26 123.43 20.46 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 108.355 -0.98 . . . . 71.219999999999999 108.355 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -70.11 -35.32 74.03 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 124.084 0.865 . . . . 75.540000000000006 110.224 -178.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.404 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 27.1 t70 -99.3 150.14 22.41 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.081 0.953 . . . . 72.439999999999998 112.207 -173.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -78.71 -37.88 40.42 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.339 1.056 . . . . 65.209999999999994 111.764 -176.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -66.97 -32.53 73.83 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.171 0.588 . . . . 74.140000000000001 109.942 -176.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.477 HD13 HG12 ' A' ' 32' ' ' VAL . 57.4 mt -65.77 -43.0 90.16 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 124.088 0.867 . . . . 71.25 110.188 177.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 8' ' ' ASN . 88.7 mt -53.61 -52.05 61.09 Favored 'General case' 0 C--N 1.364 1.207 0 O-C-N 124.256 0.972 . . . . 72.010000000000005 110.017 177.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -56.82 -45.41 82.3 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.665 1.228 . . . . 70.010000000000005 111.232 -175.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -56.16 -50.19 71.85 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 123.822 0.701 . . . . 74.019999999999996 111.239 176.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.514 ' HB2' HD21 ' A' ' 6' ' ' LEU . 33.5 mtt -61.68 -49.45 76.47 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 115.605 -0.725 . . . . 75.299999999999997 111.29 -178.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 79.9 mt -53.12 -38.01 62.26 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.959 0.904 . . . . 41.200000000000003 111.286 -176.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -76.51 -34.5 58.59 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.925 -1.034 . . . . 73.239999999999995 112.149 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.32 -52.98 33.83 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.739 0.416 . . . . 73.540000000000006 110.339 174.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.482 HG23 ' HB2' ' A' ' 76' ' ' TYR . 61.3 mt -56.8 -30.5 33.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 125.66 1.584 . . . . 72.129999999999995 111.289 178.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.3 t -55.53 -51.84 65.68 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.014 0.925 . . . . 71.420000000000002 110.888 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.86 -6.78 57.93 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 112.212 0.449 . . . . 72.430000000000007 112.212 176.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 71' ' ' ILE . 80.2 mt -76.05 -21.42 56.82 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.267 -0.642 . . . . 72.510000000000005 109.267 170.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.17 4.09 74.96 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-N 115.909 -0.587 . . . . 54.310000000000002 113.957 173.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.482 ' HB2' HG23 ' A' ' 71' ' ' ILE . 8.5 m-30 -80.95 159.96 24.77 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 117.078 0.439 . . . . 74.25 110.455 -176.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -71.05 115.62 10.4 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 108.362 -0.977 . . . . 62.409999999999997 108.362 174.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.3 t -88.51 106.5 16.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 N-CA-C 108.579 -0.897 . . . . 73.299999999999997 108.579 -174.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -114.66 137.97 51.26 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 106.992 -1.484 . . . . 73.200000000000003 106.992 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.493 HD22 HD11 ' A' ' 68' ' ' LEU . 51.7 tp -134.35 148.03 50.64 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 108.02 -1.104 . . . . 74.409999999999997 108.02 -177.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.553 HD23 HG13 ' A' ' 7' ' ' ILE . 43.4 tp -142.93 141.28 31.44 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 106.806 -1.554 . . . . 74.129999999999995 106.806 177.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.59 HD13 ' HB3' ' A' ' 90' ' ' LEU . 1.1 pp -147.24 146.38 29.77 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.849 0.46 . . . . 70.439999999999998 110.801 176.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.63 140.03 23.4 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 124.657 1.183 . . . . 71.310000000000002 108.137 176.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.47 ' N ' HD11 ' A' ' 90' ' ' LEU . 23.2 t70 -164.76 165.63 20.54 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.34 0.656 . . . . 70.239999999999995 110.166 -179.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -57.53 -55.18 38.18 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.614 1.565 . . . . 74.120000000000005 110.768 170.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.06 92.55 8.32 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 108.584 -0.895 . . . . 72.140000000000001 108.584 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -80.11 -6.55 57.88 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 115.785 -0.643 . . . . 73.299999999999997 111.354 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -72.91 -27.88 62.14 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.723 -0.611 . . . . 64.25 110.516 176.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -74.93 -37.06 62.11 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.971 0.508 . . . . 63.439999999999998 110.427 169.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.59 ' HB3' HD13 ' A' ' 82' ' ' LEU . 75.2 mt -64.9 -42.31 94.86 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.255 0.622 . . . . 53.420000000000002 112.497 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.05 -33.11 71.53 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.739 0.416 . . . . 72.439999999999998 110.712 -178.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -63.95 -47.75 79.23 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.701 1.2 . . . . 70.409999999999997 110.749 175.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.423 ' O ' HG12 ' A' ' 97' ' ' ILE . 60.4 t80 -65.78 -48.06 73.05 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.013 0.925 . . . . 74.319999999999993 110.073 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.446 ' HG3' HG22 ' A' ' 104' ' ' VAL . 19.7 ttpt -56.99 -53.35 59.06 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.844 1.258 . . . . 71.409999999999997 112.391 -174.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -61.47 -28.95 69.65 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.905 0.706 . . . . 73.140000000000001 112.905 -173.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 33.3 mmtp -72.0 -37.49 69.82 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.657 -0.701 . . . . 55.340000000000003 110.207 176.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 93' ' ' PHE . 45.0 mm -73.36 -35.51 46.41 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.42 0 C-N-CA 124.169 0.988 . . . . 64.530000000000001 111.913 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -55.05 -49.45 71.56 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.483 0.713 . . . . 74.439999999999998 111.693 176.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 91.9 p -65.2 -19.58 66.04 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.005 -0.998 . . . . 64.549999999999997 112.319 -177.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 75.1 mm-40 -76.97 -16.73 59.25 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.284 0.634 . . . . 74.150000000000006 111.52 177.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.96 9.67 48.18 Favored Glycine 0 C--N 1.347 1.183 0 O-C-N 123.66 0.6 . . . . 72.109999999999999 112.967 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -95.5 140.87 29.73 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.214 0.606 . . . . 74.0 109.848 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -78.15 126.15 30.39 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.758 -0.83 . . . . 75.140000000000001 108.758 173.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.446 HG22 ' HG3' ' A' ' 94' ' ' LYS . 2.1 p -138.95 120.04 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 123.063 0.545 . . . . 64.329999999999998 110.464 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -100.31 123.28 44.35 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 123.098 0.559 . . . . 75.200000000000003 109.504 -178.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.495 ' HA ' HD12 ' A' ' 82' ' ' LEU . 23.0 ttpp -102.13 121.46 42.26 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 108.839 -0.801 . . . . 75.209999999999994 108.839 176.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 31.0 m -133.77 163.35 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.559 0.744 . . . . 63.329999999999998 109.123 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 21.2 m -109.49 -52.12 2.8 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 123.763 0.825 . . . . 72.430000000000007 109.247 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.559 ' HB2' ' HG2' ' A' ' 112' ' ' GLU . 7.9 m-20 -74.26 143.18 45.18 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.227 -0.897 . . . . 60.100000000000001 110.792 -173.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.6 ' HB3' HD13 ' A' ' 14' ' ' LEU . 41.7 m-20 -62.65 -35.91 81.16 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.105 -1.407 . . . . 72.030000000000001 112.085 177.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.0 -33.61 73.95 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.637 0.775 . . . . 65.310000000000002 111.368 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.559 ' HG2' ' HB2' ' A' ' 109' ' ' ASP . 12.8 mm-40 -69.7 -38.64 77.04 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 122.884 0.474 . . . . 65.439999999999998 109.935 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.87 -45.57 88.85 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.722 0.639 . . . . 73.109999999999999 111.367 176.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.561 HD11 ' HE2' ' A' ' 17' ' ' LYS . 89.7 mt -61.49 -38.07 85.98 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.506 0.722 . . . . 63.039999999999999 110.83 176.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.7 tmmt? -65.34 -39.21 92.1 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.817 0.847 . . . . 65.010000000000005 110.865 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.494 ' HA ' ' HG2' ' A' ' 119' ' ' GLU . 45.4 mm -67.35 -38.35 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 O-C-N 123.571 0.544 . . . . 74.109999999999999 110.452 177.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.416 HG21 HG23 ' A' ' 18' ' ' ILE . 67.7 t -60.72 -45.84 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.481 0.712 . . . . 42.109999999999999 110.342 174.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.52 -48.97 65.51 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.466 0.706 . . . . 54.210000000000001 111.466 -177.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.494 ' HG2' ' HA ' ' A' ' 116' ' ' ILE . 11.5 pt-20 -65.62 -26.75 67.96 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 119.205 -0.426 . . . . 61.420000000000002 111.487 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -58.83 -35.03 72.23 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 118.156 0.435 . . . . 75.129999999999995 110.582 173.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.493 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 14.8 mmt -60.58 -29.62 69.3 Favored 'General case' 0 CA--C 1.558 1.25 0 C-N-CA 122.76 0.424 . . . . 73.239999999999995 111.686 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 4.7 pt20 -99.21 -21.13 16.25 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.125 0.57 . . . . 73.430000000000007 112.102 177.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 74.7 mmtt -66.9 -51.63 53.06 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.695 -0.854 . . . . 61.140000000000001 108.695 173.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.429 ' HB1' ' HG3' ' A' ' 3' ' ' GLU . . . -69.11 -32.15 71.35 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 113.47 -1.696 . . . . 74.319999999999993 112.484 -174.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -155.79 -100.83 0.18 Allowed Glycine 0 C--N 1.341 0.828 0 N-CA-C 110.649 -0.98 . . . . 33.049999999999997 110.649 178.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.4 t -163.18 130.86 3.62 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.316 -0.624 . . . . 64.299999999999997 109.316 176.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.2 tt -159.09 102.55 1.63 Allowed 'General case' 0 C--O 1.238 0.48 0 N-CA-C 106.082 -1.821 . . . . 63.149999999999999 106.082 176.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.93 115.78 7.04 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.099 0.96 . . . . 72.099999999999994 111.92 -171.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -148.27 142.75 26.39 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.525 -0.917 . . . . 61.329999999999998 108.525 170.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -81.78 155.96 25.18 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.494 -0.928 . . . . 71.109999999999999 108.494 170.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -64.81 111.38 2.77 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 108.978 -0.749 . . . . 61.119999999999997 108.978 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -74.99 -7.11 52.7 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 112.656 0.613 . . . . 64.140000000000001 112.656 -168.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -84.14 -74.54 0.38 Allowed 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 107.442 -1.318 . . . . 50.210000000000001 107.442 166.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 64.0 t60 . . . . . 0 C--O 1.252 1.21 0 C-N-CA 124.496 1.118 . . . . 73.120000000000005 108.911 166.177 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 108.697 -0.853 . . . . 64.239999999999995 108.697 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -129.13 111.19 12.68 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 123.088 0.555 . . . . 55.450000000000003 110.11 -171.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 2.2 mp0 -119.01 154.7 32.66 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.425 1.09 . . . . 55.399999999999999 108.623 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -118.39 112.58 20.18 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.575 -0.898 . . . . 73.019999999999996 108.575 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.426 HG23 ' HG ' ' A' ' 55' ' ' LEU . 7.4 tt -100.38 124.62 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 109.19 -0.67 . . . . 53.219999999999999 109.19 177.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 mp -107.17 122.34 46.31 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.657 -0.868 . . . . 74.310000000000002 108.657 177.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.64 HG21 HD13 ' A' ' 18' ' ' ILE . 2.5 mp -101.15 129.45 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 108.195 -1.039 . . . . 73.540000000000006 108.195 174.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.654 ' HB2' HD11 ' A' ' 64' ' ' LEU . 7.1 t-20 -106.72 115.54 30.37 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.15 -1.055 . . . . 64.109999999999999 108.15 170.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.568 HG23 HG12 ' A' ' 15' ' ' ILE . 1.8 t -139.03 112.11 7.97 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 123.745 0.653 . . . . 75.5 109.408 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -84.99 -18.41 34.55 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 115.242 -0.89 . . . . 74.319999999999993 109.947 173.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.484 ' O ' HG13 ' A' ' 15' ' ' ILE . 48.7 t-20 -72.63 105.26 4.18 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 108.516 -0.92 . . . . 71.140000000000001 108.516 178.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -54.95 -46.44 74.99 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.721 1.208 . . . . 73.299999999999997 111.894 -172.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -65.65 -40.86 92.91 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 114.877 -1.056 . . . . 71.450000000000003 110.731 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 110' ' ' ASP . 39.3 tp -64.18 -37.41 87.35 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.462 0.705 . . . . 74.299999999999997 111.144 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.582 HG22 ' HE3' ' A' ' 19' ' ' LYS . 14.2 mt -54.89 -47.23 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 CA-C-O 121.148 0.499 . . . . 73.129999999999995 109.878 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -59.4 -46.98 87.19 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 114.595 -1.184 . . . . 74.310000000000002 111.295 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -64.01 -42.06 97.26 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.936 0.894 . . . . 74.420000000000002 111.647 -176.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.64 HD13 HG21 ' A' ' 7' ' ' ILE . 77.8 mt -58.93 -50.54 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.326 0.651 . . . . 63.310000000000002 109.398 177.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.582 ' HE3' HG22 ' A' ' 15' ' ' ILE . 98.1 mttt -52.53 -39.46 61.4 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 124.109 0.881 . . . . 71.530000000000001 112.444 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -64.76 -46.51 81.85 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.4 0.437 . . . . 71.329999999999998 110.258 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -62.25 -37.83 86.92 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.544 0.737 . . . . 63.119999999999997 111.977 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 18' ' ' ILE . 58.9 t -65.23 -36.3 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.302 1.041 . . . . 71.510000000000005 110.653 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.03 -42.15 94.61 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.865 -0.607 . . . . 60.450000000000003 110.0 174.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -67.4 -30.23 69.95 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.109 0.564 . . . . 73.299999999999997 111.164 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -78.92 -21.11 47.82 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.592 0.757 . . . . 72.109999999999999 111.013 177.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.06 22.6 54.58 Favored Glycine 0 C--N 1.345 1.063 0 CA-C-N 116.497 -0.32 . . . . 65.120000000000005 113.025 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.474 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 3.4 m-85 -97.0 158.51 15.39 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.919 0.888 . . . . 61.509999999999998 109.707 175.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.528 ' HB2' HG23 ' A' ' 54' ' ' ILE . 1.4 mp0 -82.67 112.66 19.74 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.784 -0.821 . . . . 73.409999999999997 108.784 -177.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.3 t -70.4 99.82 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 109.185 -0.672 . . . . 75.530000000000001 109.185 173.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.517 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 0.7 OUTLIER -119.97 107.16 12.77 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 107.631 -1.248 . . . . 65.430000000000007 107.631 178.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -123.88 117.1 24.08 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 121.466 0.651 . . . . 72.230000000000004 111.906 -170.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.63 HG21 ' SD ' ' A' ' 67' ' ' MET . 54.7 t -79.5 129.88 36.91 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 C-N-CA 125.408 1.483 . . . . 71.010000000000005 110.616 175.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -133.72 15.46 3.99 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.126 0.57 . . . . 75.219999999999999 110.434 173.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -161.01 152.83 19.64 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.898 0.879 . . . . 74.409999999999997 110.476 -176.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.9 m -65.69 -35.74 81.63 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.476 1.111 . . . . 75.25 113.03 -174.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.479 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 5.2 m-20 -83.15 -19.24 37.01 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.804 0.442 . . . . 72.010000000000005 111.177 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 18.5 mm-40 -72.61 -36.68 68.13 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.384 -0.371 . . . . 74.450000000000003 111.077 174.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.491 ' HB3' HG11 ' A' ' 32' ' ' VAL . 1.9 pp -64.66 -41.53 96.04 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 118.147 0.431 . . . . 70.030000000000001 111.023 -174.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 17.2 ptpt -69.83 -36.57 75.7 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.768 -0.651 . . . . 75.400000000000006 111.19 -173.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 22.9 ptmt -75.47 -26.11 57.94 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.177 0.591 . . . . 74.540000000000006 110.935 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' OE1' ' HG3' ' A' ' 30' ' ' ARG . 37.1 mt-10 -77.66 -32.64 53.32 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.995 0.918 . . . . 71.239999999999995 111.054 174.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.406 ' HG3' HD12 ' A' ' 70' ' ' LEU . 34.6 mmt -72.27 -28.83 63.37 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.013 0.525 . . . . 44.149999999999999 111.329 175.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 39' ' ' LYS . 98.2 mttt -62.89 -37.38 86.71 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.75 0.42 . . . . 74.239999999999995 110.606 174.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -61.64 -27.4 68.64 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.974 0.91 . . . . 73.439999999999998 113.016 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.438 ' HB3' ' HE2' ' A' ' 76' ' ' TYR . 76.5 mt -73.01 -34.83 66.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 122.821 0.448 . . . . 74.329999999999998 110.726 175.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.61 -33.13 53.85 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.722 0.809 . . . . 64.109999999999999 111.351 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -77.92 -48.25 16.78 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.022 0.929 . . . . 72.430000000000007 110.867 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -104.84 116.3 31.77 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.046 0.938 . . . . 64.120000000000005 108.525 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -101.34 -66.19 0.93 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.086 0.554 . . . . 72.200000000000003 110.678 -175.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -91.67 98.11 11.44 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.642 0.777 . . . . 73.400000000000006 111.061 -168.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.53 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -171.06 -179.72 2.82 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.323 1.049 . . . . 63.210000000000001 109.939 173.064 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.36 144.11 56.75 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 121.194 0.521 . . . . 74.219999999999999 110.119 176.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 40.1 pttt -67.01 157.24 33.96 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.908 -1.042 . . . . 75.409999999999997 112.667 -174.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.53 HD11 ' CZ ' ' A' ' 51' ' ' PHE . 2.9 mp -109.28 143.04 20.21 Favored 'Isoleucine or valine' 0 C--O 1.245 0.821 0 CA-C-N 114.693 -1.139 . . . . 42.219999999999999 108.715 -168.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.543 HD22 HG21 ' A' ' 22' ' ' VAL . 9.0 tt -104.78 117.03 33.05 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.462 -0.94 . . . . 74.209999999999994 108.462 174.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 18.4 mm -97.23 137.06 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 123.668 0.787 . . . . 70.140000000000001 109.078 177.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 56.0 mt -116.49 147.98 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 107.64 -1.245 . . . . 71.129999999999995 107.64 167.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.5 t -146.02 146.14 30.86 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 123.765 0.826 . . . . 62.420000000000002 109.019 174.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -94.59 -5.07 46.65 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.704 -0.68 . . . . 71.239999999999995 112.242 -175.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -144.36 153.37 41.9 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.16 0.505 . . . . 73.200000000000003 111.927 -176.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HA ' HD12 ' A' ' 64' ' ' LEU . 47.2 mmtm -68.7 -32.56 72.45 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.622 1.169 . . . . 74.109999999999999 112.552 -177.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.02 -35.51 80.08 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.957 0.503 . . . . 64.519999999999996 110.682 -177.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.557 HD13 HG12 ' A' ' 32' ' ' VAL . 49.3 mt -73.56 -42.54 61.52 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-N 115.426 -0.806 . . . . 74.510000000000005 109.319 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.654 HD11 ' HB2' ' A' ' 8' ' ' ASN . 95.4 mt -52.79 -57.34 10.51 Favored 'General case' 0 C--N 1.361 1.072 0 O-C-N 124.192 0.933 . . . . 74.439999999999998 110.041 173.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -49.77 -48.91 50.13 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.057 1.343 . . . . 61.420000000000002 111.467 -171.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -59.86 -54.63 43.98 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.085 -0.962 . . . . 51.420000000000002 112.063 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.63 ' SD ' HG21 ' A' ' 32' ' ' VAL . 77.9 mtm -61.81 -46.74 88.19 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 123.505 0.503 . . . . 65.540000000000006 111.913 -176.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.484 HD13 HD12 ' A' ' 97' ' ' ILE . 83.9 mt -50.15 -42.75 51.42 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.799 1.24 . . . . 74.010000000000005 111.494 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -72.49 -44.49 62.2 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.36 -0.836 . . . . 74.329999999999998 111.402 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.406 HD12 ' HG3' ' A' ' 42' ' ' MET . 88.6 mt -61.94 -48.76 78.99 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.979 0.512 . . . . 73.340000000000003 111.387 -177.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 80.3 mt -58.17 -33.06 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 C-N-CA 125.014 1.325 . . . . 73.140000000000001 111.759 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -60.7 -50.4 73.64 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.595 0.758 . . . . 73.010000000000005 111.056 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.9 -6.77 58.68 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 112.187 0.44 . . . . 63.340000000000003 112.187 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.4 HD13 ' HB2' ' A' ' 45' ' ' LEU . 83.5 mt -73.61 -26.66 60.9 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 109.404 -0.591 . . . . 74.109999999999999 109.404 165.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.26 59.93 1.52 Allowed Glycine 0 C--N 1.347 1.146 0 CA-C-N 115.967 -0.56 . . . . 45.439999999999998 111.875 173.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.438 ' HE2' ' HB3' ' A' ' 45' ' ' LEU . 39.6 m-85 -131.29 161.33 32.56 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.167 0.987 . . . . 74.109999999999999 109.226 173.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -80.62 112.86 18.38 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 108.166 -1.05 . . . . 64.319999999999993 108.166 174.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.3 t -89.66 118.5 35.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 115.782 -0.645 . . . . 51.229999999999997 109.924 -170.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -113.06 143.55 44.14 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.052 -1.092 . . . . 71.439999999999998 108.052 175.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.1 tp -135.34 147.79 49.24 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.351 1.06 . . . . 75.030000000000001 108.716 177.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.5 tp -147.16 114.06 6.12 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 107.17 -1.418 . . . . 74.120000000000005 107.17 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 106' ' ' LYS . 1.0 OUTLIER -119.73 145.92 46.11 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.003 0.521 . . . . 65.340000000000003 110.89 -176.58 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.07 143.28 40.41 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 123.192 0.597 . . . . 60.130000000000003 109.867 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -168.1 162.06 12.88 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.816 0.846 . . . . 74.109999999999999 108.958 168.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -68.22 -30.73 69.86 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 122.948 0.499 . . . . 75.129999999999995 111.117 176.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -88.41 120.0 29.37 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 107.675 -1.231 . . . . 75.150000000000006 107.675 170.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.601 ' HG2' ' HD3' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -89.3 -25.1 21.83 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.814 1.246 . . . . 72.439999999999998 111.111 -174.349 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.453 ' O ' ' HG3' ' A' ' 92' ' ' GLU . 17.0 m120 -80.98 -30.43 35.08 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 112.735 0.643 . . . . 74.040000000000006 112.735 -172.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -69.3 -32.99 72.5 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.172 0.511 . . . . 74.219999999999999 109.788 172.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.453 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.8 mt -64.66 -38.06 89.7 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.065 -0.97 . . . . 54.43 111.428 177.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.48 ' HB3' ' NZ ' ' A' ' 106' ' ' LYS . 11.6 pt-20 -75.52 -29.88 59.6 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 123.225 0.328 . . . . 72.120000000000005 111.502 -178.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 88' ' ' ASN . 51.1 mt-10 -67.49 -40.98 85.23 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 123.02 0.528 . . . . 70.340000000000003 110.716 178.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.492 ' O ' HG12 ' A' ' 97' ' ' ILE . 65.6 t80 -69.48 -43.75 72.54 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.134 -0.485 . . . . 74.319999999999993 109.843 172.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -62.08 -44.24 97.09 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.701 0.8 . . . . 71.239999999999995 112.613 -172.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.02 -32.08 70.55 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.089 0.556 . . . . 61.450000000000003 111.439 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -64.56 -41.81 96.08 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.748 0.819 . . . . 73.109999999999999 110.467 173.533 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 93' ' ' PHE . 27.4 mm -74.04 -40.84 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 124.105 0.962 . . . . 72.450000000000003 111.053 -175.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.39 -31.19 71.82 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.644 1.178 . . . . 72.319999999999993 111.222 171.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.7 t -67.7 -34.26 76.53 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.207 0.603 . . . . 60.509999999999998 110.155 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 86.5 mm-40 -77.54 -21.34 52.76 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.339 0.656 . . . . 54.43 110.83 175.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.02 6.78 61.57 Favored Glycine 0 C--N 1.344 1.008 0 CA-C-O 119.648 -0.529 . . . . 54.329999999999998 113.718 175.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.46 ' HB2' HG22 ' A' ' 97' ' ' ILE . 8.9 m-85 -75.17 142.21 43.55 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 109.335 -0.617 . . . . 74.430000000000007 109.335 -178.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -74.13 88.08 1.93 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.356 0.663 . . . . 71.340000000000003 109.761 -178.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.3 p -101.97 139.62 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 123.448 0.699 . . . . 74.099999999999994 110.451 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -118.64 144.03 46.43 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 125.256 1.422 . . . . 71.439999999999998 108.812 175.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.601 ' HD3' ' HG2' ' A' ' 87' ' ' GLU . 30.6 ttmt -115.75 138.24 51.32 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.21 0.604 . . . . 71.409999999999997 109.581 174.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.8 m -143.57 -178.26 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.829 0 C-N-CA 124.329 1.051 . . . . 64.209999999999994 108.87 172.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 52.3 m -133.79 -48.21 0.81 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.361 0.664 . . . . 75.200000000000003 109.782 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -84.21 156.26 22.12 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.634 -0.712 . . . . 74.549999999999997 111.42 -172.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.431 ' HA ' HD22 ' A' ' 14' ' ' LEU . 8.7 t70 -51.85 -53.73 37.1 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.358 1.463 . . . . 64.530000000000001 111.267 176.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 11.0 pt-20 -62.94 -38.79 92.43 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.585 0.553 . . . . 74.230000000000004 111.116 -173.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.91 -36.97 85.69 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.525 0.73 . . . . 72.329999999999998 111.205 -175.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.97 81.03 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.742 -0.663 . . . . 73.420000000000002 110.663 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.36 -33.53 75.72 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.266 0.626 . . . . 73.230000000000004 111.375 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 111' ' ' GLU . 68.1 mttm -60.08 -52.23 66.24 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.474 0.71 . . . . 74.129999999999995 110.473 177.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.408 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 25.3 mt -74.82 -24.45 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 O-C-N 123.912 0.758 . . . . 74.430000000000007 112.052 -172.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 62.1 t -53.51 -43.74 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 N-CA-C 109.641 -0.503 . . . . 75.019999999999996 109.641 166.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -76.74 -38.26 54.54 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.935 -0.575 . . . . 71.420000000000002 111.562 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 116' ' ' ILE . 17.5 mm-40 -64.01 -25.76 68.27 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.78 0.432 . . . . 73.219999999999999 112.121 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.442 ' HD2' ' SD ' ' A' ' 121' ' ' MET . 65.7 t80 -56.92 -47.61 80.19 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.849 0.46 . . . . 73.540000000000006 110.648 169.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.474 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 13.3 mmt -56.5 -29.49 61.88 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.725 1.265 . . . . 73.049999999999997 112.041 -169.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 123' ' ' LYS . 8.0 pt20 -98.74 -57.16 2.25 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 123.058 0.543 . . . . 74.340000000000003 111.668 173.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 0.4 OUTLIER -78.93 -23.76 44.47 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 124.547 1.139 . . . . 70.140000000000001 113.205 -156.426 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.19 -56.63 15.1 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 112.072 0.397 . . . . 75.400000000000006 112.072 -174.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -128.58 64.61 0.6 Allowed Glycine 0 N--CA 1.468 0.781 0 N-CA-C 110.432 -1.067 . . . . 61.310000000000002 110.432 174.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 26.7 p -72.89 80.58 1.17 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.236 1.014 . . . . 62.009999999999998 112.306 -172.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 52.3 tp 57.83 -84.06 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.733 1.613 . . . . 75.319999999999993 111.581 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -82.51 68.77 9.1 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 123.956 0.902 . . . . 73.129999999999995 109.457 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -87.27 135.1 33.44 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.224 -0.898 . . . . 64.040000000000006 110.052 -176.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -109.57 132.8 53.8 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.485 -0.931 . . . . 75.150000000000006 108.485 170.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -119.99 161.31 21.14 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.013 -1.106 . . . . 50.140000000000001 108.013 169.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -75.07 145.59 42.19 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.243 0.617 . . . . 71.129999999999995 109.936 177.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -64.04 85.82 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.669 0.387 . . . . 74.200000000000003 110.403 174.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 . . . . . 0 CA--C 1.56 1.356 0 C-N-CA 125.679 1.592 . . . . 74.439999999999998 111.235 178.872 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtp . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 108.887 -0.783 . . . . 74.030000000000001 108.887 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -95.63 102.14 13.91 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.31 -0.996 . . . . 75.239999999999995 108.31 167.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.449 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 3.4 mp0 -88.89 139.86 30.02 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 114.683 -1.144 . . . . 65.530000000000001 109.887 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.403 ' HB3' HD13 ' A' ' 71' ' ' ILE . 4.5 mm? -119.52 109.9 16.26 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 107.382 -1.34 . . . . 63.329999999999998 107.382 175.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.414 HG23 ' HG ' ' A' ' 55' ' ' LEU . 8.7 tt -105.59 131.3 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 C-N-CA 123.576 0.75 . . . . 74.310000000000002 109.119 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -111.74 119.87 40.08 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 107.999 -1.111 . . . . 73.140000000000001 107.999 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.466 HG21 HD13 ' A' ' 18' ' ' ILE . 2.1 mp -99.2 126.43 52.48 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.518 0 N-CA-C 108.284 -1.006 . . . . 70.209999999999994 108.284 176.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.642 ' HB2' HD11 ' A' ' 64' ' ' LEU . 6.6 t-20 -105.52 116.65 32.3 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 108.037 -1.098 . . . . 72.209999999999994 108.037 173.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.597 HG23 HG12 ' A' ' 15' ' ' ILE . 1.6 t -145.72 122.1 10.96 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.075 0.55 . . . . 72.040000000000006 110.02 175.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -100.99 -2.42 31.77 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.749 0.82 . . . . 54.329999999999998 110.403 172.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.495 ' O ' HG13 ' A' ' 15' ' ' ILE . 46.5 t-20 -78.07 98.38 5.74 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 107.86 -1.163 . . . . 71.230000000000004 107.86 173.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -47.06 -43.24 19.84 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 125.747 1.619 . . . . 42.439999999999998 113.119 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.46 -55.75 24.71 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.213 -0.903 . . . . 73.150000000000006 110.982 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.459 ' O ' HG13 ' A' ' 18' ' ' ILE . 52.0 tp -58.37 -36.41 73.45 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.231 0.957 . . . . 72.409999999999997 112.211 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.597 HG12 HG23 ' A' ' 9' ' ' THR . 32.9 mt -55.13 -50.4 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 CA-C-O 121.132 0.492 . . . . 54.409999999999997 110.077 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 mtmp? -64.25 -38.77 92.24 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 114.732 -1.122 . . . . 74.150000000000006 111.242 -179.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -67.16 -39.51 86.51 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.446 0.698 . . . . 70.329999999999998 111.163 -178.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.545 ' O ' HG23 ' A' ' 22' ' ' VAL . 69.3 mt -62.94 -44.92 99.93 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 O-C-N 123.699 0.624 . . . . 64.430000000000007 109.318 176.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.524 ' HE3' HG22 ' A' ' 15' ' ' ILE . 97.3 mttt -52.47 -48.84 65.63 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 123.799 0.687 . . . . 73.120000000000005 111.661 177.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -65.55 -36.87 85.05 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.324 0.65 . . . . 61.530000000000001 111.217 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 48.3 mm-40 -68.37 -38.5 81.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.736 0.814 . . . . 74.040000000000006 112.084 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 18' ' ' ILE . 89.2 t -72.15 -30.77 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.908 0.883 . . . . 73.420000000000002 110.476 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -65.72 -37.74 87.25 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.529 -0.76 . . . . 71.400000000000006 110.17 171.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -69.15 -34.73 75.46 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.235 0.614 . . . . 71.230000000000004 110.607 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 79.0 mm-40 -77.33 -16.87 58.71 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.948 0.499 . . . . 74.140000000000001 110.638 178.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.62 4.95 79.22 Favored Glycine 0 C--N 1.349 1.279 0 C-N-CA 122.888 0.28 . . . . 73.099999999999994 113.551 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.41 ' CZ ' ' SD ' ' A' ' 121' ' ' MET . 2.1 m-85 -86.96 155.42 20.2 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.658 0.783 . . . . 71.400000000000006 109.4 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.74 118.05 23.09 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.782 -0.645 . . . . 72.450000000000003 109.73 -173.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.1 t -79.07 114.65 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 109.377 -0.601 . . . . 73.329999999999998 109.377 175.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.467 ' HD2' HG21 ' A' ' 54' ' ' ILE . 93.8 mtt-85 -124.68 105.58 9.43 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 108.186 -1.042 . . . . 75.310000000000002 108.186 168.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -99.49 134.92 41.66 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 121.351 0.596 . . . . 74.019999999999996 110.131 -177.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.501 HG11 ' HB3' ' A' ' 38' ' ' LEU . 78.0 t -109.24 120.64 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 124.659 1.184 . . . . 72.530000000000001 108.662 -175.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -107.56 -15.48 14.59 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.875 0.87 . . . . 72.150000000000006 110.743 -178.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -153.65 164.8 37.66 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.536 0.734 . . . . 74.409999999999997 109.86 -173.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.7 p -58.76 -31.27 68.19 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.823 0.849 . . . . 61.520000000000003 111.483 175.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -77.13 -21.0 54.84 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.597 -0.729 . . . . 74.319999999999993 110.121 -178.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 55.9 mm-40 -77.13 -38.38 52.19 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.94 -0.573 . . . . 72.420000000000002 112.069 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.516 ' O ' ' HG2' ' A' ' 42' ' ' MET . 4.0 pp -70.94 -39.59 72.55 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 119.022 0.828 . . . . 72.120000000000005 110.702 -177.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -37.94 84.05 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.676 0.39 . . . . 72.439999999999998 111.578 -176.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 21.1 ptmt -74.41 -28.84 61.26 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.399 0.68 . . . . 71.010000000000005 110.994 -175.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 5.1 mm-40 -85.35 -27.84 25.61 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.588 0.755 . . . . 52.140000000000001 111.103 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.516 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 85.4 mmm -69.56 -30.71 68.57 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 122.754 0.421 . . . . 65.430000000000007 110.165 173.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -58.08 -49.09 78.12 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 115.3 -0.864 . . . . 62.329999999999998 110.493 172.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.453 ' HG3' ' NH1' ' A' ' 30' ' ' ARG . 75.9 mmtt -56.45 -39.1 72.58 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.068 0.947 . . . . 65.230000000000004 111.969 -177.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.2 mt -68.82 -34.72 75.98 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 114.933 -1.03 . . . . 63.539999999999999 110.976 178.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.69 -41.77 36.86 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.868 0.867 . . . . 75.109999999999999 111.738 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -77.32 -55.06 5.73 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.025 0.53 . . . . 55.439999999999998 111.368 -171.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -71.36 133.21 45.81 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.687 -0.688 . . . . 64.409999999999997 109.556 -177.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -104.4 -63.13 1.24 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.535 0.734 . . . . 63.140000000000001 110.623 -176.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -85.72 92.28 8.55 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.087 0.47 . . . . 73.129999999999995 110.265 -176.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -162.32 168.95 21.4 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.143 0.977 . . . . 70.140000000000001 110.024 174.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -81.25 -169.69 2.39 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.414 0.686 . . . . 72.129999999999995 110.655 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.449 ' HD3' ' HB2' ' A' ' 3' ' ' GLU . 13.1 ptpt -85.74 146.08 26.97 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.206 0.527 . . . . 74.310000000000002 110.068 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.467 HG21 ' HD2' ' A' ' 30' ' ' ARG . 3.3 mp -109.64 142.14 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.835 0.854 . . . . 72.420000000000002 109.285 -174.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.541 HD22 HG21 ' A' ' 22' ' ' VAL . 8.0 tt -97.47 117.15 31.08 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 123.397 0.679 . . . . 73.319999999999993 109.222 175.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.548 HG21 ' SD ' ' A' ' 67' ' ' MET . 31.6 mm -98.38 133.88 39.02 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 123.96 0.904 . . . . 72.230000000000004 109.054 178.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 56.8 mt -111.02 149.17 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 107.163 -1.421 . . . . 73.129999999999995 107.163 167.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.3 t -143.3 131.72 22.21 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.47 1.108 . . . . 73.109999999999999 108.238 174.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -94.18 17.35 12.78 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.047 0.939 . . . . 70.530000000000001 111.038 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -154.25 145.26 22.7 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.797 0.839 . . . . 55.130000000000003 110.216 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -82.72 -27.39 31.19 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.991 0.916 . . . . 73.230000000000004 112.679 -172.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -71.93 -32.15 67.06 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 109.181 -0.674 . . . . 75.420000000000002 109.181 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.483 HD13 HG12 ' A' ' 32' ' ' VAL . 68.2 mt -65.26 -37.64 87.84 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 115.218 -0.901 . . . . 74.340000000000003 110.431 175.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.642 HD11 ' HB2' ' A' ' 8' ' ' ASN . 89.9 mt -57.38 -56.38 22.6 Favored 'General case' 0 C--N 1.366 1.289 0 O-C-N 124.079 0.862 . . . . 73.230000000000004 109.813 175.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -47.77 -53.16 16.15 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.169 1.388 . . . . 75.230000000000004 111.836 -173.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -62.33 -50.7 70.58 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 124.445 1.091 . . . . 74.299999999999997 111.754 178.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.548 ' SD ' HG21 ' A' ' 56' ' ' ILE . 24.0 ttm -62.03 -40.28 95.16 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.093 0.957 . . . . 52.5 111.456 -173.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.449 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 76.9 mt -54.69 -42.81 71.87 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.982 1.313 . . . . 73.340000000000003 111.373 177.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -75.78 -30.09 58.99 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.024 -0.989 . . . . 43.549999999999997 111.221 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.58 -38.42 84.02 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.014 0.526 . . . . 71.329999999999998 110.619 174.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.403 HD13 ' HB3' ' A' ' 4' ' ' LEU . 63.9 mt -72.16 -29.33 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 123.619 0.767 . . . . 73.530000000000001 110.071 176.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.8 t -68.02 -45.93 72.64 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.505 -0.771 . . . . 61.329999999999998 110.36 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -25.13 63.18 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.24 0.216 . . . . 55.329999999999998 111.341 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.86 -47.13 66.7 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 109.424 -0.584 . . . . 52.119999999999997 109.424 171.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.9 70.32 0.99 Allowed Glycine 0 C--N 1.344 1.01 0 CA-C-N 115.719 -0.673 . . . . 73.230000000000004 112.277 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -135.04 160.3 38.77 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.064 0.945 . . . . 71.230000000000004 109.443 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -73.15 115.09 12.07 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.367 -0.975 . . . . 63.43 108.367 171.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.2 t -97.18 115.67 37.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 123.408 0.683 . . . . 72.219999999999999 109.746 -173.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -104.65 143.09 33.55 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 107.666 -1.235 . . . . 72.319999999999993 107.666 172.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.504 HD11 HD13 ' A' ' 64' ' ' LEU . 61.4 tp -140.31 97.37 3.21 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.368 0.667 . . . . 71.120000000000005 109.625 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 40.7 tp -91.51 114.3 26.79 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 107.615 -1.254 . . . . 64.310000000000002 107.615 173.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 pp -120.81 146.97 45.98 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.35 0.523 . . . . 73.019999999999996 111.515 -175.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.433 ' HB3' HG23 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -147.22 157.73 43.7 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 123.988 0.915 . . . . 70.310000000000002 109.469 174.544 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.428 ' N ' HD11 ' A' ' 90' ' ' LEU . 22.6 t70 -161.12 174.57 13.5 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 114.424 -1.262 . . . . 72.120000000000005 108.099 176.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -62.4 -28.43 69.78 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.076 1.35 . . . . 75.129999999999995 111.608 174.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -129.13 134.81 48.21 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.019 0.927 . . . . 74.040000000000006 111.11 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.516 ' HA ' HD12 ' A' ' 90' ' ' LEU . 34.0 tt0 -81.92 -16.29 51.05 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.595 1.158 . . . . 73.129999999999995 112.411 -174.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -62.15 -48.58 79.46 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 122.943 0.497 . . . . 72.200000000000003 110.782 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -70.17 -22.04 63.0 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.328 -0.851 . . . . 71.040000000000006 111.296 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 87' ' ' GLU . 90.7 mt -82.4 -38.63 23.82 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.017 0.927 . . . . 72.010000000000005 112.09 -179.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.04 -35.44 64.33 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 110.008 -0.367 . . . . 71.209999999999994 110.008 -176.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 16.3 pt-20 -74.61 -37.61 62.79 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 116.002 -0.545 . . . . 74.140000000000001 110.406 177.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.549 ' O ' HG12 ' A' ' 97' ' ' ILE . 12.4 t80 -62.45 -51.76 66.24 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 108.919 -0.771 . . . . 53.140000000000001 108.919 176.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -54.06 -47.43 71.66 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.196 0.998 . . . . 70.340000000000003 111.709 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -69.09 -20.18 64.07 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 112.359 0.503 . . . . 75.329999999999998 112.359 -173.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 70.5 mmtt -71.6 -47.86 51.94 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.737 0.78 . . . . 60.439999999999998 109.307 169.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.549 HG12 ' O ' ' A' ' 93' ' ' PHE . 33.3 mm -69.43 -27.02 32.65 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.096 0 CA-C-N 114.291 -1.322 . . . . 74.209999999999994 111.474 -173.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -53.75 -45.05 70.44 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.319 1.047 . . . . 45.130000000000003 111.156 167.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.2 t -72.99 -19.55 61.19 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.779 0.831 . . . . 73.400000000000006 111.455 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -79.7 -19.99 47.58 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.105 0.562 . . . . 62.420000000000002 110.861 173.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.65 24.55 42.03 Favored Glycine 0 C--N 1.351 1.394 0 CA-C-N 115.988 -0.551 . . . . 73.120000000000005 112.875 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.51 ' HB2' HG22 ' A' ' 97' ' ' ILE . 11.1 m-30 -97.28 148.07 23.5 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.875 0.47 . . . . 72.5 109.832 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -78.07 88.22 4.2 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.471 0.653 . . . . 75.519999999999996 109.702 177.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.429 HG11 ' HB ' ' A' ' 97' ' ' ILE . 2.8 p -105.77 121.31 57.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-O 121.618 0.723 . . . . 74.430000000000007 110.502 -176.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -109.92 138.06 46.83 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 124.592 1.157 . . . . 74.349999999999994 109.394 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -111.99 129.83 56.06 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 123.595 0.758 . . . . 75.25 110.359 -175.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.433 HG23 ' HB3' ' A' ' 83' ' ' GLN . 32.7 m -138.37 175.09 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 108.063 -1.088 . . . . 55.109999999999999 108.063 173.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.1 m -141.42 -39.8 0.39 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.159 0.584 . . . . 62.049999999999997 109.76 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.435 ' HB3' ' HG3' ' A' ' 112' ' ' GLU . 13.7 t70 -86.13 156.01 20.53 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.33 -0.85 . . . . 72.310000000000002 110.509 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -53.79 -53.94 45.22 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.591 1.556 . . . . 71.129999999999995 111.962 177.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 115' ' ' LYS . 9.8 pt-20 -63.2 -39.39 94.51 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 115.648 -0.705 . . . . 71.120000000000005 110.899 -174.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.435 ' HG3' ' HB3' ' A' ' 109' ' ' ASP . 61.5 mt-10 -61.77 -36.22 80.42 Favored 'General case' 0 C--N 1.361 1.098 0 C-N-CA 123.932 0.893 . . . . 73.230000000000004 111.397 -176.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.11 -47.89 82.59 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.656 -0.702 . . . . 64.120000000000005 110.465 176.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.408 HD22 ' HG3' ' A' ' 21' ' ' GLU . 74.0 mt -69.29 -25.28 64.16 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.502 0.721 . . . . 73.030000000000001 111.327 -176.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 111' ' ' GLU . 29.7 mmmt -60.06 -54.85 41.04 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.469 0.708 . . . . 63.340000000000003 109.822 173.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.528 ' HA ' ' HB2' ' A' ' 119' ' ' GLU . 12.1 mt -77.75 -23.57 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 115.374 -0.83 . . . . 61.310000000000002 111.875 -173.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 113' ' ' ALA . 78.2 t -56.46 -47.12 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 N-CA-C 109.35 -0.611 . . . . 71.099999999999994 109.35 168.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -71.08 -42.36 69.48 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 116.296 -0.411 . . . . 71.439999999999998 111.201 177.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.626 ' HB3' ' HE2' ' A' ' 123' ' ' LYS . 40.2 mt-10 -57.67 -37.05 72.74 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.085 0.554 . . . . 74.329999999999998 111.697 177.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -56.74 -41.26 77.23 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.873 0.469 . . . . 54.039999999999999 110.679 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.41 ' SD ' ' CZ ' ' A' ' 27' ' ' TYR . 14.6 mmt -62.08 -23.88 66.77 Favored 'General case' 0 CA--C 1.553 1.074 0 O-C-N 123.921 0.763 . . . . 75.230000000000004 111.886 -174.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 20.6 pt20 -98.65 -33.85 10.79 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 122.8 0.44 . . . . 75.530000000000001 111.998 173.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.626 ' HE2' ' HB3' ' A' ' 119' ' ' GLU . 53.7 mttm -69.74 -22.46 63.37 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 122.867 0.467 . . . . 74.510000000000005 110.769 179.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -80.85 -8.2 59.65 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.656 0.783 . . . . 75.329999999999998 111.019 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -70.5 72.7 0.62 Allowed Glycine 0 C--N 1.355 1.619 0 N-CA-C 109.27 -1.532 . . . . 70.340000000000003 109.27 165.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.8 m -59.35 124.1 18.92 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 124.654 1.182 . . . . 74.439999999999998 112.242 -163.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.17 87.02 1.91 Allowed 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 104.578 -2.378 . . . . 72.219999999999999 104.578 163.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -52.23 102.54 0.05 Allowed 'General case' 0 CA--C 1.549 0.929 0 O-C-N 125.172 1.545 . . . . 73.150000000000006 112.502 -164.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -78.67 165.11 24.01 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 114.62 -1.173 . . . . 73.120000000000005 109.125 -177.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 59.55 24.76 13.52 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 125.732 1.613 . . . . 74.140000000000001 113.345 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -95.24 25.38 4.35 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.127 0.571 . . . . 63.509999999999998 110.934 170.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 65.6 m170 -86.22 51.41 2.21 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 107.832 -1.173 . . . . 72.450000000000003 107.832 164.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -170.81 111.54 0.38 Allowed 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 105.819 -1.919 . . . . 73.209999999999994 105.819 -165.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 118.826 -0.607 . . . . 72.329999999999998 111.444 -169.244 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 110.673 -0.121 . . . . 51.530000000000001 110.673 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -117.47 121.81 42.03 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 106.686 -1.598 . . . . 73.349999999999994 106.686 161.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 1.9 mp0 -99.53 137.39 38.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.127 0.571 . . . . 61.009999999999998 110.007 -178.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.441 HD23 HG23 ' A' ' 71' ' ' ILE . 3.8 mm? -118.04 113.11 21.15 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.36 -1.348 . . . . 64.430000000000007 107.36 173.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 tt -103.27 118.6 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 108.73 -0.841 . . . . 74.310000000000002 108.73 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 6' ' ' LEU . 3.9 mp -102.26 118.81 37.68 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.682 -0.859 . . . . 72.319999999999993 108.682 -176.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.679 HG21 HD13 ' A' ' 18' ' ' ILE . 2.2 mp -100.44 121.53 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 107.855 -1.165 . . . . 72.0 107.855 176.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.599 ' HB2' HD11 ' A' ' 64' ' ' LEU . 3.8 t-20 -111.13 112.05 23.57 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.295 -0.631 . . . . 73.239999999999995 109.295 173.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.2 t -146.96 135.4 21.86 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.135 -0.691 . . . . 61.140000000000001 109.135 165.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -76.58 -23.17 53.5 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.391 0.676 . . . . 74.400000000000006 109.793 173.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -68.56 93.26 0.49 Allowed 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 108.583 -0.895 . . . . 73.219999999999999 108.583 -178.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -61.3 -30.86 70.75 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.301 1.04 . . . . 71.409999999999997 112.379 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.52 -42.5 99.55 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.997 0.919 . . . . 72.450000000000003 109.521 176.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 110' ' ' ASP . 67.5 tp -69.7 -41.78 74.94 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 115.027 -0.988 . . . . 65.340000000000003 110.812 176.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.526 HG22 ' HE3' ' A' ' 19' ' ' LYS . 67.2 mt -53.23 -42.0 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 123.678 0.611 . . . . 75.25 110.087 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -61.9 -42.7 99.39 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 124.221 0.95 . . . . 75.420000000000002 111.614 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -64.51 -43.09 95.19 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.911 0.484 . . . . 62.340000000000003 110.392 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.679 HD13 HG21 ' A' ' 7' ' ' ILE . 82.7 mt -61.9 -40.57 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 124.37 1.044 . . . . 60.149999999999999 109.587 178.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.679 ' HG2' HG11 ' A' ' 29' ' ' VAL . 98.9 mttt -53.79 -56.18 19.81 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 124.081 0.863 . . . . 71.219999999999999 109.493 175.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -70.82 -21.05 62.51 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 112.677 0.621 . . . . 72.329999999999998 112.677 -172.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -64.31 -58.58 6.12 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 108.966 -0.753 . . . . 63.210000000000001 108.966 167.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.495 HG13 ' HB2' ' A' ' 27' ' ' TYR . 90.4 t -68.13 -33.97 63.96 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 CA-C-N 114.068 -1.424 . . . . 70.540000000000006 111.845 -170.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.48 -40.34 92.99 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.972 0.909 . . . . 52.5 109.84 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.77 -22.22 46.72 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.398 0.679 . . . . 72.219999999999999 111.051 -179.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -87.89 -6.18 58.2 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.181 0.592 . . . . 61.119999999999997 111.369 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.0 6.43 66.98 Favored Glycine 0 C--N 1.348 1.202 0 N-CA-C 114.224 0.45 . . . . 43.210000000000001 114.224 170.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.495 ' HB2' HG13 ' A' ' 22' ' ' VAL . 2.4 m-85 -93.24 144.62 25.12 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.746 0.818 . . . . 64.109999999999999 109.301 177.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -76.86 133.15 39.4 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.581 -0.526 . . . . 73.150000000000006 109.581 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.679 HG11 ' HG2' ' A' ' 19' ' ' LYS . 20.1 t -96.1 108.84 21.78 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 N-CA-C 108.765 -0.828 . . . . 75.409999999999997 108.765 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.514 ' HB3' ' HA ' ' A' ' 56' ' ' ILE . 11.4 tpp180 -90.5 142.84 27.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.857 -1.164 . . . . 74.239999999999995 107.857 171.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -125.98 137.86 53.71 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.018 -0.734 . . . . 64.349999999999994 109.018 169.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.59 HG12 HD13 ' A' ' 63' ' ' LEU . 98.8 t -127.58 119.32 51.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 107.689 -1.226 . . . . 64.420000000000002 107.689 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -110.21 -16.6 13.72 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.134 0.974 . . . . 75.25 109.341 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -148.2 160.15 43.22 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.094 0.958 . . . . 64.430000000000007 109.472 -176.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m -59.64 -22.59 62.09 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.637 1.175 . . . . 33.219999999999999 112.694 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -68.88 -36.36 77.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.868 0.867 . . . . 75.150000000000006 110.41 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -80.83 -23.51 39.12 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 114.78 -1.1 . . . . 74.319999999999993 112.682 -169.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.505 ' HB3' HG11 ' A' ' 32' ' ' VAL . 4.5 pp -80.35 -47.27 14.73 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.39 0.138 . . . . 74.420000000000002 110.731 177.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -70.14 -25.6 63.54 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.937 0.495 . . . . 72.230000000000004 112.246 -171.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -71.72 -40.76 69.24 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 122.768 0.427 . . . . 74.239999999999995 111.138 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 2.4 pp20? -85.44 -28.23 25.2 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 115.996 -0.547 . . . . 71.209999999999994 110.197 -177.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.434 ' SD ' HD12 ' A' ' 45' ' ' LEU . 11.2 mmt -63.38 -32.03 73.34 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.065 0.946 . . . . 65.420000000000002 111.358 174.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -64.16 -50.11 69.46 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 115.884 -0.598 . . . . 73.049999999999997 109.666 169.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -60.01 -28.28 67.58 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.738 0.815 . . . . 74.010000000000005 112.371 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.615 ' HA ' ' HZ ' ' A' ' 51' ' ' PHE . 84.0 mt -62.17 -42.55 99.37 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.589 0.356 . . . . 72.400000000000006 110.558 174.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.428 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -76.53 -42.19 43.99 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.634 0.774 . . . . 64.230000000000004 111.732 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -71.77 -46.54 58.07 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.948 0.899 . . . . 71.420000000000002 112.117 -169.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.489 ' HB2' ' CE1' ' A' ' 51' ' ' PHE . 40.1 mm-40 -68.48 128.49 36.8 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 109.152 -0.684 . . . . 60.049999999999997 109.152 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -65.33 -54.38 29.75 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.366 1.066 . . . . 61.32 112.607 -167.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -143.5 119.5 10.68 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.082 0.553 . . . . 74.329999999999998 110.102 -175.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.615 ' HZ ' ' HA ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -166.37 171.16 12.29 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 124.234 1.014 . . . . 64.150000000000006 110.087 174.758 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.46 -168.11 1.87 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.04 0.936 . . . . 70.25 112.246 -173.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -97.07 134.05 40.93 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.497 1.119 . . . . 60.350000000000001 110.935 -170.386 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.6 mp -106.87 141.78 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 N-CA-C 109.064 -0.717 . . . . 75.519999999999996 109.064 -172.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 tt -90.83 118.91 30.62 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.828 -0.804 . . . . 64.409999999999997 108.828 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.514 ' HA ' ' HB3' ' A' ' 30' ' ' ARG . 22.3 mm -98.18 137.15 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 N-CA-C 108.881 -0.785 . . . . 64.25 108.881 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.409 HG12 ' HB ' ' A' ' 7' ' ' ILE . 54.0 mt -117.54 140.87 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 107.764 -1.199 . . . . 64.430000000000007 107.764 167.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.2 t -137.29 152.32 49.65 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.531 1.133 . . . . 71.209999999999994 109.163 174.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -95.38 -15.38 23.08 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.394 0.678 . . . . 74.530000000000001 110.906 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.466 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 17.6 t70 -129.76 143.78 50.98 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.355 0.662 . . . . 70.420000000000002 110.814 -170.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -77.73 -31.93 52.5 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.272 1.029 . . . . 73.409999999999997 113.0 -174.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.415 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 84.0 mm-40 -72.74 -21.94 60.94 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 110.453 -0.203 . . . . 70.430000000000007 110.453 177.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.59 HD13 HG12 ' A' ' 32' ' ' VAL . 71.9 mt -70.1 -44.42 69.07 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 122.976 0.51 . . . . 70.340000000000003 109.745 170.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 8' ' ' ASN . 71.5 mt -54.69 -51.26 66.09 Favored 'General case' 0 C--N 1.368 1.393 0 O-C-N 124.115 0.884 . . . . 64.109999999999999 109.445 176.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -52.53 -49.5 64.75 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 125.201 1.563 . . . . 72.120000000000005 111.482 -172.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 5.7 mm-40 -66.54 -41.32 88.91 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 123.703 0.627 . . . . 65.209999999999994 111.18 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 69.5 mtm -63.16 -45.88 89.77 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 118.842 -0.599 . . . . 72.019999999999996 111.872 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.517 HD11 HD22 ' A' ' 80' ' ' LEU . 67.2 mt -52.47 -37.13 56.41 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.914 0.885 . . . . 71.319999999999993 111.201 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -75.87 -38.64 57.72 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 114.761 -1.109 . . . . 75.349999999999994 111.078 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.468 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 90.2 mt -61.89 -52.04 65.71 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.507 0.723 . . . . 74.120000000000005 110.647 176.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.441 HG23 HD23 ' A' ' 4' ' ' LEU . 33.1 mt -55.14 -41.67 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 124.792 1.237 . . . . 75.230000000000004 110.711 177.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.4 t -65.05 -43.83 91.0 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 114.835 -1.075 . . . . 64.409999999999997 111.099 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -16.56 56.26 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.638 0.375 . . . . 50.450000000000003 111.596 -179.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 95.9 mt -74.76 -31.11 61.69 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.567 -0.531 . . . . 62.539999999999999 109.567 169.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.45 25.25 12.44 Favored Glycine 0 C--N 1.343 0.951 0 CA-C-N 115.565 -0.743 . . . . 72.450000000000003 111.752 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.431 ' HE2' ' HB3' ' A' ' 45' ' ' LEU . 23.0 m-30 -99.7 159.18 15.24 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.424 1.09 . . . . 52.049999999999997 110.868 178.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -73.76 122.55 22.58 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.856 0.723 . . . . 71.219999999999999 109.878 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.5 t -90.53 120.69 39.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 123.466 0.707 . . . . 73.530000000000001 109.819 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -130.35 131.74 45.5 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 107.404 -1.332 . . . . 74.120000000000005 107.404 171.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.567 HD11 HD13 ' A' ' 64' ' ' LEU . 41.2 tp -122.94 143.12 50.11 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.051 -1.092 . . . . 70.109999999999999 108.051 178.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.7 tp -145.48 113.93 6.7 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 106.793 -1.558 . . . . 73.340000000000003 106.793 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.74 137.93 53.84 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.97 0.891 . . . . 71.439999999999998 111.2 -176.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.472 ' HG2' ' HA ' ' A' ' 110' ' ' ASP . 0.5 OUTLIER -142.09 129.67 21.43 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 126.079 1.751 . . . . 62.149999999999999 107.397 -179.478 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.562 ' H ' HD11 ' A' ' 90' ' ' LEU . 8.0 m-20 -156.49 159.3 38.49 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.778 -1.193 . . . . 64.349999999999994 107.778 177.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -76.29 -22.71 54.73 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.471 -0.786 . . . . 72.219999999999999 109.683 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -90.86 92.48 8.8 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 123.661 0.784 . . . . 61.520000000000003 108.89 169.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -75.96 -24.26 55.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.987 0.515 . . . . 75.450000000000003 111.418 -177.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -62.2 -37.18 84.32 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.599 0.359 . . . . 73.400000000000006 111.188 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.57 -27.02 55.7 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.783 0.433 . . . . 75.439999999999998 111.212 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.562 HD11 ' H ' ' A' ' 84' ' ' ASP . 94.9 mt -67.36 -51.9 46.61 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.075 0.55 . . . . 74.400000000000006 110.813 176.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.88 -39.8 79.57 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.863 0.865 . . . . 64.010000000000005 111.802 -170.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 14.1 pt-20 -71.8 -36.08 70.17 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 122.787 0.435 . . . . 72.219999999999999 110.958 -176.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -74.81 -41.35 60.12 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.319 0.648 . . . . 75.420000000000002 110.215 176.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.456 ' HD3' ' HB2' ' A' ' 106' ' ' LYS . 25.8 ttpt -55.45 -51.16 67.84 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.827 0.851 . . . . 74.430000000000007 111.721 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -61.34 -26.46 67.83 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 124.164 0.915 . . . . 70.099999999999994 111.937 -175.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.488 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 33.3 mmtp -70.65 -40.99 72.73 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.069 0.548 . . . . 73.200000000000003 110.061 175.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 26.0 mm -69.03 -36.57 74.45 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 123.614 0.766 . . . . 65.319999999999993 110.122 178.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.24 -38.64 87.38 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.61 0.764 . . . . 62.399999999999999 110.832 171.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.0 t -68.35 -34.82 76.78 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.569 0.747 . . . . 75.109999999999999 110.318 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 82.7 mm-40 -72.18 -14.21 61.75 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.342 0.657 . . . . 73.219999999999999 110.831 175.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.53 7.05 72.67 Favored Glycine 0 C--N 1.35 1.318 0 C-N-CA 123.156 0.407 . . . . 53.420000000000002 113.14 175.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -85.96 149.52 25.13 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 123.06 0.544 . . . . 65.439999999999998 110.237 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -74.65 121.72 22.09 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-N 115.623 -0.717 . . . . 74.319999999999993 109.829 178.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.0 p -138.37 133.74 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 C-N-CA 123.905 0.882 . . . . 75.219999999999999 110.306 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -120.07 120.06 35.15 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.119 0.968 . . . . 75.019999999999996 109.622 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.456 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -105.58 135.44 46.98 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.862 -0.792 . . . . 75.5 108.862 178.474 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.478 ' HB ' ' HB2' ' A' ' 112' ' ' GLU . 27.4 m -133.0 148.26 31.43 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 C-N-CA 123.819 0.848 . . . . 73.099999999999994 109.68 178.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 m -81.02 -42.9 20.38 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.388 0.613 . . . . 61.039999999999999 109.745 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.471 ' HB3' ' HG3' ' A' ' 112' ' ' GLU . 4.3 t70 -101.09 151.33 21.94 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 114.953 -1.021 . . . . 55.299999999999997 111.241 -173.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.498 ' HB3' HD13 ' A' ' 14' ' ' LEU . 3.2 m-20 -64.54 -32.87 74.7 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 113.303 -1.771 . . . . 71.25 111.756 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.407 ' HA ' HD12 ' A' ' 114' ' ' LEU . 13.2 pt-20 -71.48 -32.5 68.33 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.578 0.751 . . . . 54.520000000000003 111.58 -178.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.478 ' HB2' ' HB ' ' A' ' 107' ' ' VAL . 37.8 mt-10 -70.03 -31.13 68.62 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.029 0.532 . . . . 72.099999999999994 110.32 -178.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -62.05 -44.08 97.46 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.761 -0.654 . . . . 63.240000000000002 110.47 172.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 111' ' ' GLU . 70.6 mt -65.27 -32.42 74.08 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.045 0.938 . . . . 43.439999999999998 110.667 -178.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -66.12 -48.19 71.69 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.753 -1.112 . . . . 72.109999999999999 110.488 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 60.3 mt -71.94 -27.15 26.69 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 C-N-CA 123.874 0.869 . . . . 72.219999999999999 111.613 -175.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 113' ' ' ALA . 67.7 t -56.62 -44.2 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 122.977 0.511 . . . . 61.439999999999998 110.494 173.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -71.39 -44.08 65.63 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.33 0.652 . . . . 61.0 110.914 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -59.94 -37.72 80.35 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.539 0.736 . . . . 73.319999999999993 112.22 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -50.67 -48.8 58.35 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.006 0.923 . . . . 65.120000000000005 111.554 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.7 mtt -64.16 -24.83 67.83 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 114.88 -1.055 . . . . 65.200000000000003 113.047 -170.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -99.2 -31.74 11.58 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.602 0.761 . . . . 55.32 111.736 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -83.77 -60.79 2.01 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.683 0.793 . . . . 74.400000000000006 111.041 -175.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.457 ' HB1' ' HG2' ' A' ' 3' ' ' GLU . . . -64.29 -27.78 69.27 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.8 0.84 . . . . 55.240000000000002 111.664 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.44 -0.96 26.35 Favored Glycine 0 C--N 1.356 1.651 0 O-C-N 124.155 0.91 . . . . 65.530000000000001 113.884 174.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.4 m 65.57 14.7 9.65 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 125.529 1.532 . . . . 72.230000000000004 112.615 170.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 52.6 tp -131.96 77.42 1.76 Allowed 'General case' 0 C--O 1.236 0.394 0 N-CA-C 107.619 -1.252 . . . . 75.129999999999995 107.619 -175.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.95 149.37 26.36 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 114.071 -1.422 . . . . 74.040000000000006 109.69 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 53.89 85.47 0.05 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.717 1.207 . . . . 74.420000000000002 110.372 -178.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -69.98 107.68 3.71 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.471 0.653 . . . . 73.120000000000005 110.979 -170.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -110.85 138.82 46.77 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.107 1.363 . . . . 73.340000000000003 110.086 -169.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 37.2 m80 61.91 21.9 12.64 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 124.851 1.26 . . . . 74.530000000000001 110.639 -164.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 66.51 17.61 10.67 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 125.027 1.331 . . . . 70.400000000000006 110.516 -173.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 54.8 t60 . . . . . 0 C--O 1.256 1.443 0 C-N-CA 124.854 1.262 . . . . 75.340000000000003 108.308 176.916 . . . . . . . . 0 0 . 1 stop_ save_